论文检索

Social Aspects · Accountability, Transparency and Interpretability

Xuyang Ge, Wentao Shu, Jiaxing Wu, Yunhua Zhou, Zhengfu He, Xipeng Qiu

Language models obtain extensive capabilities through pre-training. However, the pre-training dynamics remains a black box. In this work, we track linear interpretable feature evolution across pre-training snapshots using a sparse dictionary learning method called crosscoders. We find that most features begin to form around a specific point, while more complex patterns emerge in later training stages. Feature attribution analyses reveal causal connections between feature evolution and downstream performance. Our feature-level observations are highly consistent with previous findings on Transformer's two-stage learning process, which we term a statistical learning phase and a feature learning phase. Our work opens up the possibility to track fine-grained representation progress during language model learning dynamics. Our code is available at https://github.com/OpenMOSS/Language-Model-SAEs.

Social Aspects · Trustworthy Machine Learning

Chengquan Guo, Chulin Xie, Yu Yang, Zhaorun Chen, Zinan Lin, Xander Davies, Yarin Gal, Dawn Song, Bo Li

Code agents have gained widespread adoption due to their strong code generation capabilities and integration with code interpreters, enabling dynamic execution, debugging, and interactive programming capabilities. While these advancements have streamlined complex workflows, they have also introduced critical safety and security risks. Current static safety benchmarks and red-teaming tools are inadequate for identifying emerging real-world risky scenarios, as they fail to cover certain boundary conditions, such as the combined effects of different jailbreak tools. In this work, we propose RedCodeAgent, the first automated red-teaming agent designed to systematically uncover vulnerabilities in diverse code agents. With an adaptive memory module, RedCodeAgent can leverage existing jailbreak knowledge, dynamically select the most effective red-teaming tools and tool combinations in a tailored toolbox for a given input query, thus identifying vulnerabilities that might otherwise be overlooked. For reliable evaluation, we develop simulated sandbox environments to additionally evaluate the execution results of code agents, mitigating potential biases of LLM-based judges that only rely on static code. Through extensive evaluations across multiple state-of-the-art code agents, diverse risky scenarios, and various programming languages, RedCodeAgent consistently outperforms existing red-teaming methods, achieving higher attack success rates and lower rejection rates with high efficiency. We further validate RedCodeAgent on real-world code assistants, e.g., Cursor and Codeium, exposing previously unidentified security risks. By automating and optimizing red-teaming processes, RedCodeAgent enables scalable, adaptive, and effective safety assessments of code agents.

Computer Vision · Classification and Understanding

Daiqing Wu, Dongbao Yang, Sicheng Zhao, Can Ma, Yu ZHOU

Recently, Multimodal Large Language Models (MLLMs) have achieved exceptional performance across diverse tasks, continually surpassing previous expectations regarding their capabilities. Nevertheless, their proficiency in perceiving emotions from images remains debated, with studies yielding divergent results in zero-shot scenarios. We argue that this inconsistency stems partly from constraints in existing evaluation methods, including the oversight of plausible responses, limited emotional taxonomies, neglect of contextual factors, and labor-intensive annotations. To facilitate customized visual emotion evaluation for MLLMs, we propose an Emotion Statement Judgment task that overcomes these constraints. Complementing this task, we devise an automated pipeline that efficiently constructs emotion-centric statements with minimal human effort. Through systematically evaluating prevailing MLLMs, our study showcases their stronger performance in emotion interpretation and context-based emotion judgment, while revealing relative limitations in comprehending perception subjectivity. When compared to humans, even top-performing MLLMs like GPT4o demonstrate remarkable performance gaps, underscoring key areas for future improvement. By developing a fundamental evaluation framework and conducting a comprehensive MLLM assessment, we hope this work contributes to advancing emotional intelligence in MLLMs. Project page: https://github.com/wdqqdw/MVEI.

Computer Vision · Vision Models & Multimodal

Yiping Xie, bo zhao, Mingtong Dai, Jian-Ping Zhou, Yue Sun, Tao Tan, Weicheng Xie, Linlin Shen, Zitong YU

Remote photoplethysmography (rPPG) enables non-contact physiological measurement but remains highly susceptible to illumination changes, motion artifacts, and limited temporal modeling. Large Language Models (LLMs) excel at capturing long-range dependencies, offering a potential solution but struggle with the continuous, noise-sensitive nature of rPPG signals due to their text-centric design. To bridge this gap, we introduce PhysLLM, a collaborative optimization framework that synergizes LLMs with domain-specific rPPG components. Specifically, the Text Prototype Guidance (TPG) strategy is proposed to establish cross-modal alignment by projecting hemodynamic features into LLM-interpretable semantic space, effectively bridging the representational gap between physiological signals and linguistic tokens. Besides, a novel Dual-Domain Stationary (DDS) Algorithm is proposed for resolving signal instability through adaptive time-frequency domain feature re-weighting. Finally, rPPG task-specific cues systematically inject physiological priors through physiological statistics, environmental contextual answering, and task description, leveraging cross-modal learning to integrate both visual and textual information, enabling dynamic adaptation to challenging scenarios like variable illumination and subject movements. Evaluation on four benchmark datasets, PhysLLM achieves state-of-the-art accuracy and robustness, demonstrating superior generalization across lighting variations and motion scenarios.

Applications · Time Series

Kelvin Koa, Jan Chen, Yunshan Ma, Zheng Huanhuan, Tat-Seng Chua

While Large Language Models have been used to produce interpretable stock forecasts, they mainly focus on analyzing textual reports but not historical price data, also known as Technical Analysis. This task is challenging as it switches between domains: the stock price inputs and outputs lie in the time-series domain, while the reasoning step should be in natural language. In this work, we introduce Verbal Technical Analysis (VTA), a novel framework that combine verbal and latent reasoning to produce stock time-series forecasts that are both accurate and interpretable. To reason over time-series, we convert stock price data into textual annotations and optimize the reasoning trace using an inverse Mean Squared Error (MSE) reward objective. To produce time-series outputs from textual reasoning, we condition the outputs of a time-series backbone model on the reasoning-based attributes. Experiments on stock datasets across U.S., Chinese, and European markets show that VTA achieves state-of-the-art forecasting accuracy, while the reasoning traces also perform well on evaluation metrics judged by industry experts.

Theory · Interpretability and Visualization

Yubin Wang, Xinyang Jiang, De Cheng, Xiangqian Zhao, Zilong Wang, Dongsheng Li, Cai Zhao

Visual prompt tuning offers significant advantages for adapting pre-trained visual foundation models to specific tasks. However, current research provides limited insight into the interpretability of this approach, which is essential for enhancing AI reliability and enabling AI-driven knowledge discovery. In this paper, rather than learning abstract prompt embeddings, we propose the first framework, named Interpretable Visual Prompt Tuning (IVPT), to explore interpretability for visual prompts by introducing cross-layer concept prototypes. Specifically, visual prompts are linked to human-understandable semantic concepts, represented as a set of category-agnostic prototypes, each corresponding to a specific region of the image. IVPT then aggregates features from these regions to generate interpretable prompts for multiple network layers, allowing the explanation of visual prompts at different network depths and semantic granularities. Comprehensive qualitative and quantitative evaluations on fine-grained classification benchmarks show its superior interpretability and performance over visual prompt tuning methods and existing interpretable methods. Our code is available at https://github.com/ThomasWangY/IVPT.

Computer Vision · Image and Video Generation

Hao Chen, Rui Yin, Yifan Chen, Qi Chen, Chao Li

Understanding disease progression is a central clinical challenge with direct implications for early diagnosis and personalized treatment. While recent generative approaches have attempted to model progression, key mismatches remain: disease dynamics are inherently continuous and monotonic, yet latent representations are often scattered, lacking semantic structure, and diffusion-based models disrupt continuity through the random denoising process. In this work, we propose treating disease dynamics as a velocity field and leveraging Flow Matching (FM) to align the temporal evolution of patient data. Unlike prior methods, our approach captures the intrinsic dynamics of disease, making progression more interpretable. However, a key challenge remains: in latent space, Autoencoders (AEs) do not guarantee alignment across patients or correlation with clinical severity (e.g., age and disease conditions). To address this, we propose learning patient-specific latent alignment, which enforces patient trajectories to lie along a specific axis, with magnitudes increasing monotonically with disease severity. This leads to a consistent and semantically meaningful latent space. Together, we present ∆-LFM, a framework for modeling patient-specific latent progression with flow matching. Across three longitudinal MRI benchmarks, ∆-LFM demonstrates strong empirical performance and, more importantly, establishes a new framework for interpreting and visualizing disease dynamics.

Ruihan Wu, Konstantin Garov, Kamalika Chaudhuri

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 encoding in knowledge encoding impact the effectiveness of unlearning factual knowledge. We conduct two studies: (i) examining how paraphrased descriptions influence unlearning performance, and (ii) analyzing unlearning when multiple facts are embedded within the same training text chunk. Our empirical study reveals two important implications: a new perspective for interpreting unlearning performance and practical strategies for improving LLM unlearning.

Xiongkun Linghu, Jiangyong Huang, Ziyu Zhu, Baoxiong Jia, Siyuan Huang

Existing research of 3D LLMs still struggles to achieve efficient and explainable reasoning, primarily due to the under-exploration of the mechanism of human-like scene-object grounded reasoning. This paper bridges the gap by presenting a novel framework. We first introduce a Chain-of-Thought reasoning framework in 3D scenes (SceneCOT), decoupling a complex reasoning task into simpler and manageable problems, and building corresponding visual clues based on multimodal expert modules. To enable such a framework, we build the first large-scale 3D scene Chain-of-Thought reasoning dataset, SceneCOT, including more than 190k high-quality data instances. Extensive experiments across various complex 3D scene reasoning benchmarks demonstrate that our new framework achieves state-of-the-art with clear interpretability. To our knowledge, this is the first attempt to successfully implement the COT technique for achieving human-like step-by-step reasoning for 3D scene understanding, where we show great potential in extending it to a wider range of 3D scene understanding scenarios.

Yurou Liu, Mingyang Li, Xinyuan Zhu, Rui Jiao, Yiming Dong, Xinyu Tang, Yang Liu, Jieping Ye, Bing Su, Zheng Wang

Machine learning promises to revolutionize drug discovery, but its "black-box" nature and narrow focus limit adoption by experts. While Large Language Models (LLMs) offer a path forward with their broad knowledge and interactivity, existing methods remain data-intensive and lack transparent reasoning. To address these issues, we present DrugTrail, an LLM-based framework for explainable drug discovery that integrates structured reasoning trajectories with a Druggability‑Tailored Preference Optimization (DTPO) strategy. It not only introduces structured reasoning traces to articulate the "how" and "why" behind its conclusions but also serve to guide task-specific reasoning pathways within the LLM's vast knowledge space, thereby enhancing its interpretability and reliability of its final outputs. Furthermore, based on the fact that optimizing for binding affinity alone does not equate to optimizing for druggability, DTPO explicitly moves beyond single-metric optimization and opens up a broader search space that balances affinity with other essential factors. Extensive experiments demonstrate the effectiveness of our approach and its generalizability to a wider range of biomolecular optimization domains, bridging the gap between LLM reasoning capabilities and trustworthy AI-assisted drug discovery.

Zitong Yang, Aonan Zhang, Hong Liu, Tatsunori Hashimoto, Emmanuel Candes, Chong Wang, Ruoming Pang

We introduce Synthetic Bootstrapped Pretraining (SBP), a language model (LM) pretraining procedure that first learns a model of relations between documents from the pretraining dataset and then leverages it to synthesize a vast new corpus for joint training. While the standard pretraining teaches LMs to learn causal correlations among tokens within a single document, it is not designed to efficiently model the rich, learnable inter-document correlations that can potentially lead to better performance. We validate SBP by designing a compute-matched pretraining setup and pretrain a 3B-parameter and a 6B-parameter model on up to 1T tokens from scratch. We find SBP consistently improves upon a strong repetition baseline and delivers up to 60% of performance improvement attainable by an oracle upper bound with access to 20x more unique data. Qualitative analysis reveals that the synthesized documents go beyond mere paraphrases -- SBP first abstracts a core concept from the seed material and then crafts a new narration on top of it. Besides strong empirical performance, SBP admits a natural Bayesian interpretation: the synthesizer implicitly learns to abstract the latent concepts shared between related documents.

Applications · Chemistry and Drug Discovery

Qingyu Wang, Xinyuan Cai, Xiang Cheng, YuZhe Gao, Bo XU

In organic reaction prediction, many recent approaches ranging from traditional task-specific models to Large Language Models (LLMs), have demonstrated notable success. However, these methods are inherently data-driven, exhibit constrained interpretability, and have hit fundamental performance bottlenecks. To overcome these limitations, we present Reaction-Thinker, a hybrid, knowledge‑and-data‑driven system that is enhanced by Retrieval‑Augmented Generation (RAG) and powered by advanced reasoning, improving both the interpretability of prediction process and the explainability of results. We develop similar-case retrieval database and train a RAG‑based LLM through supervised fine-tuning (SFT) to apply both reaction types and similar reaction cases as knowledge. We also construct a reaction reasoning chain-of-thought (CoT) dataset and train a reasoning-based LLM through SFT, then further optimize it using Group Relative Policy Optimization (GRPO). Experimental results show that our method outperforms all compared LLMs and task-specific models, achieving the highest accuracy (Exact Match) and fingerprint similarity (FTS). Ablation study indicates improvements in relative accuracy of 7.5% and 13.9% for RAG and GRPO, respectively. Further analysis of mispredictions reveals limitations in conventional evaluation metrics, which motivates our proposed benchmarking refinement.

Deep Learning · Graph Neural Networks

Yu Zhang, Bin Yang, ARIJIT KHAN, Cuneyt Akcora

Counterfactual explanations offer an intuitive way to interpret graph neural networks (GNNs) by identifying minimal changes that alter a model’s prediction, thereby answering “what must differ for a different outcome?”. In this work, we propose a novel framework, ATEX-CF that unifies adversarial attack techniques with counterfactual explanation generation—a connection made feasible by theirshared goal of flipping a node’s prediction, yet differing in perturbation strategy:adversarial attacks often rely on edge additions, while counterfactual methods typically use deletions. Unlike traditional approaches that treat explanation and attack separately, our method efficiently integrates both edge additions and deletions, grounded in theory, leveraging adversarial insights to explore impactful counterfactuals. In addition, by jointly optimizing fidelity, sparsity, and plausibility under a constrained perturbation budget, our method produces instance-level explanations that are both informative and realistic. Experiments on synthetic and real-world node classification benchmarks demonstrate that ATEX-CF generates faithful, concise, and plausible explanations, highlighting the effectiveness of integrating adversarial insights into counterfactual reasoning for GNNs.

Lifang ZHENG, Hanmo Liu, Kani Chen

Few-shot text classification is a critical real-world task for which Large Language Models (LLMs) have shown great promise. However, their high inference costs and lack of interpretability limit their practical use. While Concept Bottleneck Models (CBMs) offer an efficient and interpretable alternative, their reliance on training surrogate models makes them incompatible with few-shot scenarios. To bridge this gap, we introduce a novel CBM paradigm that relies solely on sample-concept similarity to make predictions. We ensure the effectiveness of our concepts through a prototypical-discriminative dual-level architecture and a dynamic concept refinement mechanism. Extensive experiments show that with as few as 10 training samples, our method surpasses prior CBMs and even achieves performance comparable to LLMs. The code is available at \url{https://github.com/alexiszlf/StructCBM}.

General Machine Learning · Representation Learning

Henry Conklin, Tom Hosking, Yi-Chern Tan, Jonathan Cohen, Sarah-Jane Leslie, Thomas L. Griffiths, Max Bartolo, Seraphina Goldfarb-Tarrant

Despite the increasing prevalence of large language models (LLMs), we still have a limited understanding of how their representational spaces are structured. This limits our ability to interpret how and what they learn or relate them to learning in humans. We argue LLMs are best seen as an instance of lossy compression, where over training they learn by retaining only information in their training data relevant to their objective(s). We show pre-training results in models that are optimally compressed for next-sequence prediction, approaching the Information Bottleneck bound on compression. Across an array of open weights models, each compresses differently, likely due to differences in the data and training recipes used. However even across different families of LLMs the optimality of a model's compression, and the information present in it, can predict downstream performance on across a wide array of benchmarks, letting us directly link representational structure to actionable insights about model performance. In the general case the work presented here offers a unified Information-Theoretic framing for how these models learn that is deployable at scale.

General Machine Learning · Representation Learning

Fengrong Li, Delin Chu

ReduNet has emerged as a promising white-box neural architecture grounded in the principle of maximal coding rate reduction, offering interpretability in deep feature learning. However, its practical applicability is hindered by computational complexity and limited ability to exploit class-specific structures, especially in undersampled regimes. In this work, we propose Multi-ReduNet and its variant Multi-ReduNet-LastNorm, which decompose the global learning objective into class-wise subproblems. These extensions preserve the theoretical foundation of ReduNet while improving training efficiency by reducing matrix inversion costs and enhancing feature separability. We provide a concise theoretical justification for the class-wise decomposition and show through experiments on diverse datasets that our models retain interpretability while achieving superior efficiency and discriminative power under limited supervision. Our findings suggest that class-wise extensions of ReduNet broaden its applicability, bridging the gap between interpretability and practical scalability in deep learning.

Applications · Neuroscience, Cognitive Science

Jingying Ma, Feng Wu, QIKA LIN, Yucheng Xing, Chenyu Liu, Ziyu Jia, Mengling Feng

Electroencephalography (EEG) provides real-time insights into brain activity and supports diverse applications in neuroscience. While EEG foundation models (EFMs) have emerged to address the scalability issues of task-specific models, current approaches still yield clinically uninterpretable and weakly discriminative representations, inefficiently capturing global dependencies and neglecting important local neural events. We present CodeBrain, a two-stage EFM designed to fill this gap. In the first stage, we introduce the TFDual-Tokenizer, which decouples heterogeneous temporal and frequency EEG signals into discrete tokens, quadratically expanding the representation space to enhance discriminative power and offering domain-specific representation-level interpretability by suggesting potential links to neural events and spectral rhythms. In the second stage, we propose the multi-scale EEGSSM architecture, which combines structured global convolution with sliding window attention to efficiently capture both sparse long-range and local dependencies, reflecting the brain’s small-world topology. Pretrained on the largest public EEG corpus, CodeBrain achieves strong generalization across eight downstream tasks and ten datasets under distribution shifts, supported by comprehensive ablations, scaling-law analyzes, and interpretability evaluations. The code and the pretrained weights are available at https://github.com/jingyingma01/CodeBrain.

Theory · Interpretability and Visualization

Shijian Xu, Marcello Negri, Volker Roth

Deep learning has achieved remarkable success across many domains, but it has also created a growing demand for interpretability in model predictions. Although many explainable machine learning methods have been proposed, post-hoc explanations lack guaranteed fidelity and are sensitive to hyperparameter choices, highlighting the appeal of inherently interpretable models. For example, linear regression provides clear feature effects through its coefficients. However, such models are often outperformed by more complex neural networks (NNs) that usually lack inherent interpretability. To address this dilemma, we introduce NIMO, a framework that combines inherent interpretability with the expressive power of neural networks. Building on the simple linear regression, NIMO is able to provide flexible and intelligible feature effects. Relevantly, we develop an optimization method based on parameter elimination, that allows for optimizing the NN parameters and linear coefficients effectively and efficiently. By relying on adaptive ridge regression we can easily incorporate sparsity as well. We show empirically that our model can provide faithful and intelligible feature effects while maintaining good predictive performance.

Dingdong WANG, Shujie LIU, Tianhua Zhang, Youjun Chen, Jinyu Li, Helen Meng

Emotional information in speech plays a unique role in multimodal perception. However, current Speech Large Language Models (SpeechLLMs), similar to conventional speech emotion recognition (SER) systems, still treat emotion understanding as a simple classification problem. This provides limited interpretability of predictions, while leaving the LLMs’ expressive and reasoning capabilities underutilized. In this work, we take the first step to reformulate SER as a deep reasoning problem through reinforcement learning (RL). We propose EmotionThinker, which is designed to generate accurate emotion predictions with interpretable explanations grounded in fine-grained acoustic cues. To achieve this, we first construct EmotionCoT-35K, an emotional reasoning dataset with Chain-of-Thought annotations and detailed captions. Second, we observe that current SpeechLLMs exhibit weak prosody perception, whereas prosodic cues constitute fundamental signals for interpreting emotions. To address this, we develop the prosody-enhanced foundation model EmotionThinker-Base, and demonstrate that prosody enhancement improves emotion understanding. Third, we introduce Group-Relative-Policy-Optimization with Progressive-Trust-aware-Reasoning-Reward (GRPO-PTR}) for RL. Different from standard GRPO, which relies only on rule-based outcome rewards, GRPO-PTR progressively introduces reasoning reward, dynamically adjusts it with a trustworthiness weight reflecting the alignment between reasoning and outcome, and evaluates the overall reasoning quality with a reward model based on multi-dimensional criteria. EmotionThinker outperforms previous state-of-the-art evaluation models both in emotion accuracy and explanation quality, advancing SER toward interpretable multimodal reasoning.

Cai Yuchen, Ding Cao, Xin Xu, Zijun Yao, Yuqing Huang, Benyi Zhang, Zhenyu Tan, Guiquan Liu, Junfeng Fang

Recent advances in reasoning capabilities of large language models (LLMs) are largely driven by reinforcement learning (RL), yet the underlying parameter dynamics during RL training remain poorly understood. This work identifies two fundamental properties of RL-induced parameter updates in LLMs: (1) Rank-1 Dominance, where the top singular subspace of the parameter update matrix nearly fully determines reasoning improvements, recovering over 99\% of performance gains; and (2) Rank-1 Linear Dynamics, where this dominant subspace evolves linearly throughout training, enabling accurate prediction from early checkpoints. Extensive experiments across 13 LLMs and 10 algorithms validate the generalizability of these properties. More importantly, based on these findings, we propose AlphaRL, a plug-in acceleration framework that extrapolates the final parameter update using a short early training window, achieving up to 2.5× speedup while retaining > 96\% of reasoning performance without extra modules or hyperparameter tuning. This positions our finding as a versatile and practical tool for large-scale RL, opening a path toward principled, interpretable, and efficient training paradigm for LLMs.