ICML 2025 论文列表

The Value Iteration Network (VIN) is an end-to-end differentiable neural network architecture for planning. It exhibits strong generalization to unseen domains by incorporating a differentiable planning module that operates on a latent Markov Decision Process (MDP). However, VINs struggle to scale to long-term and large-scale planning tasks, such as navigating a $100\times 100$ maze---a task that typically requires thousands of planning steps to solve. We observe that this deficiency is due to two issues: the representation capacity of the latent MDP and the planning module's depth. We address these by augmenting the latent MDP with a dynamic transition kernel, dramatically improving its representational capacity, and, to mitigate the vanishing gradient problem, introduce an "adaptive highway loss" that constructs skip connections to improve gradient flow. We evaluate our method on 2D/3D maze navigation environments, continuous control, and the real-world Lunar rover navigation task. We find that our new method, named Dynamic Transition VIN (DT-VIN), scales to 5000 layers and solves challenging versions of the above tasks. Altogether, we believe that DT-VIN represents a concrete step forward in performing long-term large-scale planning in complex environments.

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—coupled with the causal mask—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.

Kolmogorov-Arnold Networks (KANs) have seen great success in scientific domains thanks to spline activation functions, becoming an alternative to Multi-Layer Perceptrons (MLPs). However, spline functions may not respect symmetry in tasks, which is crucial prior knowledge in machine learning. In this paper, we propose Equivariant Kolmogorov-Arnold Networks (EKAN), a method for incorporating arbitrary matrix group equivariance into KANs, aiming to broaden their applicability to more fields. We first construct gated spline basis functions, which form the EKAN layer together with equivariant linear weights, and then define a lift layer to align the input space of EKAN with the feature space of the dataset, thereby building the entire EKAN architecture. Compared with baseline models, EKAN achieves higher accuracy with smaller datasets or fewer parameters on symmetry-related tasks, such as particle scattering and the three-body problem, often reducing test MSE by several orders of magnitude. Even in non-symbolic formula scenarios, such as top quark tagging with three jet constituents, EKAN achieves comparable results with state-of-the-art equivariant architectures using fewer than $40\\%$ of the parameters, while KANs do not outperform MLPs as expected. Code and data are available at [https://github.com/hulx2002/EKAN](https://github.com/hulx2002/EKAN).

One-shot post-training pruning enhances the deployment of billion-scale large language models (LLMs), with the pruning metric playing a pivotal role in determining which weights to remove. However, existing metrics underperform due to their reliance on a simple symbolic combination of weights and activations, overlooking imbalanced weight magnitudes and the disproportionate influence of activation outliers. To overcome these limitations, we introduce \textbf{BaWA}, a novel pruning metric that systematically \underline{Ba}lances \underline{W}eight and \underline{A}ctivation distributions for more effective pruning. BaWA introduces two key innovations: \textbf{magnitude normalization}, which mitigates weight imbalance across channels for fairer pruning decisions, and \textbf{outlier regularization}, which reduces the impact of activation outliers, ensuring more appropriate channel prioritization. To further enhance its effectiveness, BaWA incorporates an efficient and automatic framework for optimizing normalization and regularization hyperparameters. Extensive experiments validate BaWA as a state-of-the-art (SOTA) pruning metric. For instance, applying BaWA to induce 2:4 sparsity in Mistral-7B reduces perplexity in language comprehension by 2.49 and improves average downstream task accuracy by 3.08\%, outperforming the previous SOTA method Wanda.

Existing reward shaping techniques for sparse-reward reinforcement learning generally fall into two categories: novelty-based exploration bonuses and significance-based hidden state values. The former promotes exploration but can lead to distraction from task objectives, while the latter facilitates stable convergence but often lacks sufficient early exploration. To address these limitations, we propose Dual Random Networks Distillation (DuRND), a novel reward shaping framework that efficiently balances exploration and exploitation in a unified mechanism. DuRND leverages two lightweight random network modules to simultaneously compute two complementary rewards: a novelty reward to encourage directed exploration and a contribution reward to assess progress toward task completion. With low computational overhead, DuRND excels in high-dimensional environments with challenging sparse rewards, such as Atari, VizDoom, and MiniWorld, outperforming several benchmarks.

We present a perception in reflection paradigm designed to transcend the limitations of current large vision-language models (LVLMs), which are expected yet often fail to achieve perfect perception initially. Specifically, we propose Reflective Perception (RePer), a dual-model reflection mechanism that systematically alternates between policy and critic models, enables iterative refinement of visual perception. This framework is powered by Reflective Perceptual Learning (RPL), which reinforces intrinsic reflective capabilities through a methodically constructed visual reflection dataset and reflective unlikelihood training Comprehensive experimental evaluation demonstrates RePer's quantifiable improvements in image understanding, captioning precision, and hallucination reduction. Notably, RePer achieves strong alignment between model attention patterns and human visual focus, while RPL optimizes fine-grained and free-form preference alignment. These advancements establish perception in reflection as a robust paradigm for future multimodal agents, particularly in tasks requiring complex reasoning and multi-step manipulation. Project Page: [https://weiyana.github.io/Perception-in-Reflection](https://weiyana.github.io/Perception-in-Reflection)

In applications with significant class imbalance or asymmetric costs, metrics such as the $F_\beta$-measure, AM measure, Jaccard similarity coefficient, and weighted accuracy offer more suitable evaluation criteria than standard binary classification loss. However, optimizing these metrics present significant computational and statistical challenges. Existing approaches often rely on the characterization of the Bayes-optimal classifier, and use threshold-based methods that first estimate class probabilities and then seek an optimal threshold. This leads to algorithms that are not tailored to restricted hypothesis sets and lack finite-sample performance guarantees. In this work, we introduce principled algorithms for optimizing generalized metrics, supported by $H$-consistency and finite-sample generalization bounds. Our approach reformulates metric optimization as a generalized cost-sensitive learning problem, enabling the design of novel surrogate loss functions with provable $H$-consistency guarantees. Leveraging this framework, we develop new algorithms, METRO (*Metric Optimization*), with strong theoretical performance guarantees. We report the results of experiments demonstrating the effectiveness of our methods compared to prior baselines.

Machine learning community is discovering Contextual Integrity (CI) as a useful framework to assess the privacy implications of large language models (LLMs). This is an encouraging development. The CI theory emphasizes sharing information in accordance with *privacy norms* and can bridge the social, legal, political, and technical aspects essential for evaluating privacy in LLMs. However, this is also a good point to reflect on use of CI for LLMs. *This position paper argues that existing literature inadequately applies CI for LLMs without embracing the theory’s fundamental tenets.* Inadequate applications of CI could lead to incorrect conclusions and flawed privacy-preserving designs. We clarify the four fundamental tenets of CI theory, systematize prior work on whether they deviate from these tenets, and highlight overlooked issues in experimental hygiene for LLMs (e.g., prompt sensitivity, positional bias).

While recent code-specific large language models (LLMs) have greatly enhanced their code generation capabilities, the safety of these models remains under-explored, posing potential risks as insecure code generated by these models may introduce vulnerabilities into real-world systems. Existing methods collect security-focused datasets from real-world vulnerabilities for instruction tuning in order to mitigate such issues. However, they are largely constrained by the data sparsity of vulnerable code, and have limited applicability in the multi-stage post-training workflows of modern LLMs. In this paper, we propose ProSec, a novel proactive security alignment approach designed to align code LLMs with secure coding practices. ProSec systematically exposes the vulnerabilities in a code LLM by synthesizing vulnerability-inducing coding scenarios from Common Weakness Enumerations (CWEs) and generates fixes to vulnerable code snippets, allowing the model to learn secure practices through preference learning objectives. The scenarios synthesized by ProSec trigger 25× more vulnerable code than a normal instruction-tuning dataset, resulting in a security-focused alignment dataset 7× larger than the previous work. Experiments show that models trained with ProSec are 25.2% to 35.4% more secure compared to previous work without degrading models' utility.

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) introduce additional challenges. For instance, diverse preferences complicate the alignment process, and prediction errors in a trained reward model can become more severe as the LLM generates unseen outputs. These RL challenges create confusion about whether the probability of an action for a given state should be increased or decreased, similar to the noise in labels for classification tasks. In this work, we focus on RL algorithms that share learning difficulties with cross-entropy loss, especially for low-probability predictions. To enhance stability, we adapt reverse cross-entropy (RCE) from supervised learning for noisy data, defining 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). Notably, SPPO shows strong performance across different hyperparameters. Furthermore, we validate the symmetric RL loss in the RLHF framework using PPO for natural language processing tasks such as IMDB positive sentiment and TL;DR summarization.

We introduce Lexico, a novel KV cache compression method that leverages sparse coding with a universal dictionary. Our key finding is that key-value cache in modern LLMs can be accurately approximated using sparse linear combination from a small, input-agnostic dictionary of ~4k atoms, enabling efficient compression across different input prompts, tasks and models. Using orthogonal matching pursuit for sparse approximation, Lexico achieves flexible compression ratios through direct sparsity control. On GSM8K, across multiple model families (Mistral, Llama 3, Qwen2.5), Lexico maintains 90-95% of the original performance while using only 15-25% of the full KV-cache memory, outperforming both quantization and token eviction methods. Notably, Lexico remains effective in low memory regimes where 2-bit quantization fails, achieving up to 1.7x better compression on LongBench and GSM8K while maintaining high accuracy.

In-context learning with large language models (LLMs) delivers strong few-shot performance by choosing few-shot demonstrations from the entire training dataset. However, previous few-shot in-context learning methods, which calculate similarity scores for choosing demonstrations, incur high computational costs by repeatedly retrieving large-scale datasets for each query. This is due to their failure to recognize that not all demonstrations are equally informative, and many less informative demonstrations can be inferred from a core set of highly informative ones. To this end, we propose FEEDER (FEw yet Essential Demonstration prE-selectoR), a novel \emph{pre-selection} framework that identifies a core subset of demonstrations containing the most informative examples. This subset, referred to as the FEEDER set, consists of demonstrations that capture both the ''sufficiency'' and ''necessity'' information to infer the entire dataset. Notice that FEEDER is selected before the few-shot in-context learning, enabling more efficient few-shot demonstrations choosing in a smaller set. To identify FEEDER, we propose a novel effective tree based algorithm. Once selected, it can replace the original dataset, leading to improved efficiency and prediction accuracy in few-shot in-context learning. Additionally, FEEDER also benefit fine-tuning LLMs, we propose a bi-level optimization method enabling more efficient training without sacrificing performance when datasets become smaller. Our experiments are on 6 text classification datasets, 1 reasoning dataset, and 1 semantic-parsing dataset, across 6 LLMs (ranging from 335M to 7B parameters), demonstrate that: (i) In few-shot inference, FEEDER achieves superior (or comparable) performance while utilizing only half the input training data. (ii) In fine-tuning, FEEDER significantly boosts the performance of LLMs.

We present TUMTraf VideoQA, a novel dataset and benchmark designed for spatio-temporal video understanding in complex roadside traffic scenarios. The dataset comprises 1,000 videos, featuring 85,000 multiple-choice QA pairs, 2,300 object captioning, and 5,700 object grounding annotations, encompassing diverse real-world conditions such as adverse weather and traffic anomalies. By incorporating tuple-based spatio-temporal object expressions, TUMTraf VideoQA unifies three essential tasks—multiple-choice video question answering, referred object captioning, and spatio-temporal object grounding—within a cohesive evaluation framework. We further introduce the TraffiX-Qwen baseline model, enhanced with visual token sampling strategies, providing valuable insights into the challenges of fine-grained spatio-temporal reasoning. Extensive experiments demonstrate the dataset’s complexity, highlight the limitations of existing models, and position TUMTraf VideoQA as a robust foundation for advancing research in intelligent transportation systems. The dataset and benchmark are publicly available to facilitate further exploration.

Graph neural networks (GNNs) have achieved remarkable success, yet most are developed under the in-distribution assumption and fail to generalize to out-of-distribution (OOD) environments. To tackle this problem, some graph invariant learning methods aim to learn invariant subgraph against distribution shifts, which heavily rely on predefined or automatically generated environment labels. However, directly annotating or estimating such environment labels from biased graph data is typically impractical or inaccurate for real-world graphs. Consequently, GNNs may become biased toward variant patterns, resulting in poor OOD generalization. In this paper, we propose to learn disentangled invariant subgraph via self-supervised contrastive variant subgraph estimation for achieving satisfactory OOD generalization. Specifically, we first propose a GNN-based invariant subgraph generator to disentangle the invariant and variant subgraphs. Then, we estimate the degree of the spurious correlations by conducting self-supervised contrastive learning on variant subgraphs. Thanks to the accurate identification and estimation of the variant subgraphs, we can capture invariant subgraphs effectively and further eliminate spurious correlations by inverse propensity score reweighting. We provide theoretical analyses to show that our model can disentangle the ground-truth invariant and variant subgraphs for OOD generalization. Extensive experiments demonstrate the superiority of our model over state-of-the-art baselines.

With the advance of diffusion models, today's video generation has achieved impressive quality. To extend the generation length and facilitate real-world applications, a majority of video diffusion models (VDMs) generate videos in an autoregressive manner, i.e., generating subsequent clips conditioned on the last frame(s) of the previous clip. However, existing autoregressive VDMs are highly inefficient and redundant: The model must re-compute all the conditional frames that are overlapped between adjacent clips. This issue is exacerbated when the conditional frames are extended autoregressively to provide the model with long-term context. In such cases, the computational demands increase significantly (i.e., with a quadratic complexity w.r.t. the autoregression step). In this paper, we propose **Ca2-VDM**, an efficient autoregressive VDM with **Ca**usal generation and **Ca**che sharing. For **causal generation**, it introduces unidirectional feature computation, which ensures that the cache of conditional frames can be precomputed in previous autoregression steps and reused in every subsequent step, eliminating redundant computations. For **cache sharing**, it shares the cache across all denoising steps to avoid the huge cache storage cost. Extensive experiments demonstrated that our Ca2-VDM achieves state-of-the-art quantitative and qualitative video generation results and significantly improves the generation speed. Code is available: https://github.com/Dawn-LX/CausalCache-VDM

Mesh-based 3D static analysis methods have recently emerged as efficient alternatives to traditional computational numerical solvers, significantly reducing computational costs and runtime for various physics-based analyses. However, these methods primarily focus on surface topology and geometry, often overlooking the inherent thickness of real-world 3D objects, which exhibits high correlations and similar behavior between opposing surfaces. This limitation arises from the disconnected nature of these surfaces and the absence of internal edge connections within the mesh. In this work, we propose a novel framework, the Thickness-aware E(3)-Equivariant 3D Mesh Neural Network (T-EMNN), that effectively integrates the thickness of 3D objects while maintaining the computational efficiency of surface meshes. Additionally, we introduce data-driven coordinates that encode spatial information while preserving E(3)-equivariance or invariance properties, ensuring consistent and robust analysis. Evaluations on a real-world industrial dataset demonstrate the superior performance of T-EMNN in accurately predicting node-level 3D deformations, effectively capturing thickness effects while maintaining computational efficiency.

Answering questions with Chain-of-Thought (CoT) has significantly enhanced the reasoning capabilities of Large Language Models (LLMs), yet its impact on Large Multimodal Models (LMMs) still lacks a systematic assessment and in-depth investigation. In this paper, we introduce **MME-CoT**, a specialized benchmark evaluating the CoT reasoning performance of LMMs, spanning six domains: math, science, OCR, logic, space-time, and general scenes. As the first comprehensive study in this area, we propose a thorough evaluation suite incorporating three novel metrics that assess the reasoning quality, robustness, and efficiency at a fine-grained level. Leveraging curated high-quality data and a unique evaluation strategy, we conduct an in-depth analysis of state-of-the-art LMMs, uncovering several key insights: *1)* Models with reflection mechanism demonstrate a superior CoT quality, with Kimi k1.5 outperforming GPT-4o and demonstrating the highest quality results; *2)* CoT prompting often degrades LMM performance on perception-heavy tasks, suggesting a potentially harmful overthinking behavior; and *3)* Although the CoT quality is high, LMMs with reflection exhibit significant inefficiency in both normal response and self-correction phases. We hope MME-CoT serves as a foundation for advancing multimodal reasoning in LMMs.

On-device learning has emerged as a promising direction for AI development, particularly because of its potential to reduce latency issues and mitigate privacy risks associated with device-server communication, while improving energy efficiency. Despite these advantages, significant memory and computational constraints still represent major challenges for its deployment. Drawing on previous studies on low-rank decomposition methods that address activation memory bottlenecks in backpropagation, we propose a novel shortcut approach as an alternative. Our analysis and experiments demonstrate that our method can reduce activation memory usage, even up to $120.09\times$ compared to vanilla training, while also reducing overall training FLOPs up to $1.86\times$ when evaluated on traditional benchmarks.

Long-range interactions are essential for the correct description of complex systems in many scientific fields. The price to pay for including them in the calculations, however, is a dramatic increase in the overall computational costs. Recently, deep graph networks have been employed as efficient, data-driven models for predicting properties of complex systems represented as graphs. These models rely on a message passing strategy that should, in principle, capture long-range information without explicitly modeling the corresponding interactions. In practice, most deep graph networks cannot really model long-range dependencies due to the intrinsic limitations of (synchronous) message passing, namely oversmoothing, oversquashing, and underreaching. This work proposes a general framework that \textit{learns to mitigate} these limitations: within a variational inference framework, we endow message passing architectures with the ability to adapt their depth and filter messages along the way. With theoretical and empirical arguments, we show that this strategy better captures long-range interactions, by competing with the state of the art on five node and graph prediction datasets.