ICML 2026 论文列表

International Conference on Machine Learning

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6,341篇论文

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Learning Permutation Distributions via Reflected Diffusion on Ranks

Sizhuang He, Yangtian Zhang, Shiyang Zhang, David van Dijk

展开摘要

The finite symmetric group $S_n$ provides a natural domain for permutations, yet learning probability distributions on $S_n$ is challenging due to its factorially growing size and discrete, non-Euclidean structure. Recent permutation diffusion methods define forward noising via shuffle-based random walks (e.g., riffle shuffles) and learn reverse transitions with Plackett–Luce (PL) variants, but the resulting trajectories can be abrupt and increasingly hard to denoise as $n$ grows. We propose *Soft-Rank Diffusion*, a discrete diffusion framework that replaces shuffle-based corruption with a structured soft-rank forward process: we lift permutations to a continuous latent representation of order by relaxing discrete ranks into soft ranks, yielding smoother and more tractable trajectories. For the reverse process, we introduce *contextualized generalized Plackett–Luce (cGPL)* denoisers that generalize prior PL-style parameterizations and improve expressivity for sequential decision structures. Experiments on sorting and combinatorial optimization benchmarks show that Soft-Rank Diffusion consistently outperforms prior diffusion baselines, with particularly strong gains in long-sequence and intrinsically sequential settings.

Poster
Explaining Data Mixing Scaling Laws

Rui Dai, Shuran Zheng

展开摘要

Recent research has established empirical scaling laws to predict model performance on multi-domain data mixtures. However, a theoretical understanding of these model loss behaviors remains absent. In this work, we propose a unified framework to explain the underlying mechanics of data mixing. Our approach extends theoretical perspectives originally developed for standard neural scaling laws (e.g., Kaplan and Chinchilla) to the multi-domain setting. Based on the distributional assumption that domains overlap on fundamental skills while diverging on specialized skills, we identify two key factors that govern the domain losses of models trained on different data mixtures: (1) Capacity Competition, where the allocation of finite model capacity couples domain losses globally, and (2) Noise Reduction, where optimal weights shift toward harder-to-learn domains to minimize overall noise. Empirical evaluations show that our framework outperforms existing baselines by fitting the loss landscape with a lower Mean Relative Error and identifying higher-performing training mixtures. Most importantly, our model successfully extrapolates across scales, predicting highly effective mixtures for large, unseen scales using parameters fitted on smaller ones. In addition, our model achieves these results using significantly fewer parameters compared to previous empirical laws.

Poster
DAG: A Dual Correlation Network for Time Series Forecasting with Exogenous Variables

Xiangfei Qiu, Yuhan Zhu, Zhengyu Li, Xingjian Wu, Bin Yang, Jilin Hu

展开摘要

Time series forecasting is essential in various domains. Compared to relying solely on endogenous variables (i.e., target variables), considering exogenous variables (i.e., covariates) provides additional predictive information and often leads to more accurate predictions. However, existing methods for time series forecasting with exogenous variables (TSF-X) have the following shortcomings: 1) they do not leverage future exogenous variables, 2) they fail to fully account for the correlation between endogenous and exogenous variables. In this study, to better leverage exogenous variables, especially future exogenous variables, we propose $\textbf{DAG}$, which $\textit{utilizes $\underline{D}$ual correl$\underline{A}$tion network along both the temporal and channel dimensions for time series forecasting with exo$\underline{G}$enous}$ variables. Specifically, we propose two core components: the Temporal Correlation Module and the Channel Correlation Module. Both modules consist of a correlation discovery submodule and a correlation injection submodule. The former is designed to capture the correlation effects of historical exogenous variables on future exogenous variables and on historical endogenous variables, respectively. The latter injects the discovered correlation relationships into the processes of forecasting future endogenous variables based on historical endogenous variables and future exogenous variables.

Poster
Credit-assigned Policy Gradient for Early Stage Retrieval in Two-stage Ranking

Haruka Kiyohara, Mihaela Curmei, Ariel Evnine, Shankar Kalyanaraman, Israel Nir, Ana-Roxana Pop, Nitzan Razin, Sarah Dean, Thorsten Joachims, Udi Weinsberg

展开摘要

Large-scale search, recommendation, and retrieval-augmented generation (RAG) systems typically employ a two-stage architecture: an early-stage ranker (ESR) generates a candidate set, which is subsequently re-ranked by a late-stage ranker (LSR). While there are many reinforcement learning (RL) methods for training the LSR, end-to-end training of the ESR has proven challenging. In particular, naive application of "vanilla" policy gradient (V-PG) is not scalable for candidate-set sizes relevant for practical use due to exploding variance. This issue arises because V-PG propagates the gradient to the joint probability of the candidate sets, ignoring the contribution of each specific item in the candidate set to the reward. To mitigate this issue, we propose a novel **"credit-assigned" policy gradient (CA-PG)**, which computes gradients with respect to the probability that the target item is chosen in any candidate set, i.e. marginalizing over all candidate sets that contain it. Our theoretical analysis reveals that CA-PG significantly reduces the variance of V-PG by marginalizing over the specific composition of the candidate set, while preserving the ability to learn the correct ranking of items under a reasonably aligned LSR policy. Experiments on both synthetic and real-world data demonstrate that CA-PG improves the convergence speed and training stability for ESRs utilizing the canonical Plackett-Luce model, especially when the candidate-set size is large.

Poster
Attention Sink Forges Native MoE in Attention Layers: Sink-Aware Training to Address Head Collapse

Zizhuo Fu, Wenxuan Zeng, Runsheng Wang, Meng Li

展开摘要

Large Language Models (LLMs) often assign disproportionate attention to the first token, a phenomenon known as the attention sink. Several recent approaches aim to address this issue, including Sink Attention in GPT-OSS and Gated Attention in Qwen3-Next. However, a comprehensive analysis of the relationship among these attention mechanisms is lacking. In this work, we provide both theoretical and empirical evidence demonstrating that the sink in Vanilla Attention and Sink Attention naturally construct a Mixture-of-Experts (MoE) mechanism within attention layers. This insight explains the head collapse phenomenon observed in prior work, where only a fixed subset of attention heads contributes to generation. To mitigate head collapse, we propose a sink-aware training algorithm with an auxiliary load balancing loss designed for attention layers. Extensive experiments show that our method achieves effective head load balancing and improves model performance across Vanilla Attention, Sink Attention, and Gated Attention. We hope this study offers a new perspective on attention mechanisms and encourages further exploration of the inherent MoE structure within attention layers.

Poster
A Direct Second-Order Method for Solving Two-Player Zero-Sum Games

David Yang, Yuan Gao, Tianyi Lin, Christian Kroer

展开摘要

We introduce, to our knowledge, the first direct second-order method for computing Nash equilibria in two-player zero-sum games. To do so, we construct a Douglas-Rachford-style splitting formulation, which we then solve with a semi-smooth Newton (SSN) method. We show that our algorithm enjoys local superlinear convergence. To augment the fast local behavior of our SSN method with global efficiency guarantees, we develop a hybrid method that combines our SSN method with the state-of-the-art first-order method for game solving, Predictive Regret Matching (PRM$^+$). Our hybrid algorithm leverages the global progress provided by PRM$^+$ while achieving a local superlinear convergence rate once it switches to SSN near a Nash equilibrium. Numerical experiments on matrix games demonstrate order-of-magnitude speedups over PRM$^+$ for high-precision solutions.

Poster
Unveiling the Role of Data Uncertainty in Tabular Deep Learning

Nikolay Kartashev, Ivan Rubachev, Artem Babenko

展开摘要

Recent advancements in tabular deep learning have demonstrated exceptional practical performance, yet the field often lacks a clear understanding of why these techniques actually succeed. To address this gap, our paper highlights the importance of the concept of data (aleatoric) uncertainty for explaining the effectiveness of recent tabular DL methods. While data uncertainty leads to irreducible prediction errors on test samples, it also introduces stochasticity into the training signal that can impede effective learning. We demonstrate that tabular methods differ significantly in their ability to cope with this optimization challenge. Specifically, we reveal that the success of many beneficial design choices in tabular DL, such as numerical feature embeddings, advanced ensembling strategies, retrieval-augmented models, and tabular Prior-Fitted Networks, can be partially attributed to their respective implicit mechanisms for performing well under high data uncertainty. By dissecting these varied mechanisms, we provide a unifying understanding of recent performance improvements. Furthermore, leveraging insights from this perspective, we design a novel, more effective numerical feature embedding method as an immediate practical outcome of our analysis. Overall, our work paves the way toward a principled understanding of the benefits introduced by modern tabular methods that results in the concrete advancements of existing techniques and outlines future research directions for tabular DL.

Poster
Multimarginal flow matching with optimal transport potentials

Raghav Kansal, David Crair, Nghia Nguyen, Nghia D. Nguyen, Scott D Pope, Scott Pope, Bradley R Parry, Bradley Parry

展开摘要

Flow matching (FM) has emerged as a powerful framework for learning dynamic transport maps between two empirical distributions. However, less explored is the setting with intermediate observed marginals that can help constrain the flows between the endpoints. This "multimarginal" regime is central to modeling temporal evolution in dynamical systems in many scientific domains that can sample sequential distributions. We tackle this problem with a novel approach that leverages the connection between FM and dynamic optimal transport (OT), softly steering the flow towards the intermediate marginals through potential terms in the dynamic OT action. By extending the conditional FM learning target to incorporate these potentials, we derive an efficient, simulation-free algorithm for multimarginal FM that offers considerable flexibility in the spatiotemporal dynamics of the learned flows. We demonstrate state-of-the-art performance and training efficiency of OT-potential FM (OTP-FM) on diverse single-cell RNA sequencing, oceanographic, and meteorological datasets.

Poster
When Tabular Foundation Models Meet Strategic Tabular Data: A Prior Alignment Approach

Xinpeng Lv, Yunxin Mao, Renzhe Xu, Chunyuan Zheng, Yikai Chen, Haoxuan Li, Jinxuan Yang, Yuanlong Chen, Kun Kuang, Mingyang Geng, Shixuan Liu, Wanrong Huang, Shaowu Yang, Wenjing Yang, Zhouchen Lin, Haotian Wang

展开摘要

Tabular foundation models based on pretrained prior-data fitted networks (PFNs) have shown strong generalization on diverse tabular tasks, but they are typically designed for non-strategic settings where data distributions are independent of deployed classifiers. In many real-world decision scenarios, however, individuals may strategically modify their features after deployment to obtain favorable outcomes, inducing a post-deployment distribution shift. This paper studies whether PFN-style tabular foundation models can generalize to such strategic tabular data. We show that strategic manipulation creates a fundamental mismatch between the non-strategic prior learned during pretraining and the post-manipulation strategic prior encountered at deployment, which leads to an irreducible structural prediction bias. To address this issue, we propose the Strategic Prior-data Fitted Network (SPN), an inference-time strategy-aware framework that adapts tabular foundation models to strategic environments without retraining or architectural modification. SPN constructs strategic in-context examples to approximate post-manipulation inputs and aligns PFN predictions with the induced strategic distribution via in-context learning, with theoretical guarantees on bias reduction. Experiments on real-world and synthetic tabular datasets show that SPN consistently improves robustness and predictive performance under strategic manipulation compared with both tabular foundation models and classical tabular methods.

Poster
Fine-Tuning Without Forgetting In-Context Learning: A Theoretical Analysis of Linear Attention Models

Chungpa Lee, Jy-yong Sohn, Kangwook Lee

展开摘要

Transformer-based large language models exhibit in-context learning, enabling adaptation to downstream tasks via few-shot prompting with demonstrations. In practice, such models are often fine-tuned to improve zero-shot performance on downstream tasks, allowing them to solve tasks without examples and thereby reducing inference costs. However, fine-tuning can degrade in-context learning, limiting the performance of fine-tuned models on tasks not seen during fine-tuning. Using linear attention models, we provide a theoretical analysis that characterizes how fine-tuning objectives modify attention parameters and identifies conditions under which this leads to degraded few-shot performance. We show that fine-tuning all attention parameters can harm in-context learning, whereas restricting updates to the value matrix improves zero-shot performance while preserving in-context learning. We further show that incorporating an auxiliary few-shot loss enhances in-context learning primarily on the target task, at the expense of degraded in-context learning ability on tasks not seen during fine-tuning. We provide empirical evidence from synthetic and real-world datasets consistent with the qualitative predictions of our theory.

Poster
Full-Spectrum Graph Neural Networks: Expressive and Scalable

Xiaohan Wang, Deyu Bo, Longlong Li, KELIN XIA

展开摘要

It is well established that spectral graph neural networks (GNNs) can universally approximate node signals; however, their expressive power remains bounded by the 1-dimensional Weisfeiler-Lehman test, which is mirrored in their lack of universality for higher-order signals. To go beyond this bound, we propose the Full-Spectrum GNNs (FSpecGNNs), a second-order generalization of classical spectral GNNs. FSpecGNN advances spectral filtering from two perspectives: (1) it lifts signals from the node domain to the node-pair domain; and (2) it extends the univariate spectral filter over eigenvalues to a bivariate filter over eigenvalue pairs. We show that classical spectral GNNs arise as a diagonal special case of FSpecGNNs, and prove that FSpecGNNs can be at most as expressive as Local 2-GNN while universally approximating node-pair signals, the latter being particularly beneficial for heterophilic graph learning. Moreover, FSpecGNNs admit scalable implementations that avoid explicit node-pair-level computations; combined with a low-rank approximation that reduces full-spectrum convolution to a combination of polynomial spectral filters, it enables learning on large graphs. Empirically, FSpecGNNs validate the predicted expressivity on substructure-counting benchmarks and delivers strong performance on heterophilic benchmarks. Our code is available at https://github.com/xwangxshi/FSpecGNN.

Poster
Trajectory-Stabilized Inference for Diffusion-Based Video Inpainting

Zhanhe Zhang, Jiahua Li, Xu Yang, Kun Wei, Cheng Deng

展开摘要

Video inpainting aims to restore missing regions while preserving spatial and temporal coherence. Diffusion-based methods achieve strong per-frame reconstruction, but their sampling implicitly generates temporally coupled latent trajectories whose long-horizon stability is not explicitly modeled, leading to a trade-off between temporal consistency and structural detail. We revisit video inpainting from the perspective of temporal trajectory stability, viewing temporal inconsistency as instability along time-indexed denoising trajectories rather than an output-level error. Based on this view, we propose an inference-time trajectory stabilization framework that monitors motion-aligned deviation and triggers risk-aware correction only when instability accumulates. It combines sparsely sampled trajectory anchors as stability references with neighborhood-consistent propagation to regulate trajectory evolution while preserving local generative freedom. Implemented as a lightweight control layer in the sampling loop, it selectively contracts unstable trajectories toward motion-consistent manifolds instead of enforcing uniform temporal constraints. Experiments show consistent improvements in temporal coherence and structural fidelity.

Poster
Embedding Hybrid Systems into Continuous Latent Vector Fields

Sangli Teng, Hang Liu, Koushil Sreenath

展开摘要

This work proves that an $n$-dimensional hybrid system can be embedded into an $m$-dimensional Euclidean space equipped with a continuous vector field on its embedded image whenever $m>2n$. This result suggests that an *intrinsically* discontinuous hybrid system generically admits a continuous *extrinsic* representation that is well-posed for differentiable optimization. Building on this existence theorem, we show that a latent Neural ODE with consistency loss in both the latent and state space can accurately recover the flow of hybrid systems. Extensive experiments suggest the proposed method outperforms the existing method in learning hybrid systems with varying geometries from only time series data.

Poster
VSCD: Video-based Scene Change Detection in Unaligned Scenes

Jiae Yoon, Ue-Hwan Kim

展开摘要

Detecting what has changed in an environment is essential for long-term autonomy, yet most change detection settings assume fixed viewpoints, mild misalignment, or only a few changed objects. We introduce Video-based Scene Change Detection (VSCD), which predicts a pixel-wise change mask for each query frame, given a reference and a query RGB video of the same indoor space recorded at different times under unconstrained camera motion. The two videos are not temporally synchronized, and many object instances may appear or disappear. To study this setting, we build a large-scale benchmark with over 1.1 million frames annotated with pixel-accurate change masks, together with a real-world test set for evaluating transfer beyond simulation. We propose a query-centric multi-reference model that learns temporal matching implicitly from change-mask supervision, aligns candidate reference features to the query via local patch correspondence, and fuses per-candidate change features using frame-level and patch-level confidence before decoding a high-resolution mask once per frame. Our approach achieves state-of-the-art performance against strong image- and video-based baselines, and we validate its real-world impact by deploying it on a mobile robot for two downstream applications—visual surveillance and object incremental learning.

Poster
AIR: Post-training Data Selection for Reasoning via Attention Head Influence

Jinrui Liu, Kai Hua, Xuanguang Pan, Ge Zhang, Yong Wang, Shuai Ma, Chongyang Tao

展开摘要

LLMs achieve remarkable multi-step reasoning capabilities, yet effectively transferring these skills via post-training distillation remains challenging. Existing data selection methods, ranging from manual curation to heuristics based on length, entropy, or overall loss, fail to capture the causal importance of individual reasoning steps, limiting distillation efficiency. To address this, we propose Attention Influence for Reasoning (AIR), a principled, unsupervised and training-free framework that leverages mechanistic insights of the retrieval head to select high-value post-training data. AIR first identifies reasoning-critical attention heads of an off-the-shelf model, then constructs a weakened reference model with disabled head influence, and finally quantifies the resulting loss divergence as the Attention Influence Score. This score enables fine-grained assessment at both the step and sample levels, supporting step-level weighted fine-tuning and global sample selection. Experiments across multiple reasoning benchmarks show that AIR consistently improves reasoning accuracy, surpassing heuristic baselines and effectively isolating the most critical steps and samples. Our work establishes a mechanism-driven, data-efficient approach for reasoning distillation in LLMs.

Poster
Think Twice Before You Act: Protecting LLM Agents Against Tool Description Poisoning via Isolated Planning

Shanghao Shi, Xiao Wang, Chaoyu Zhang, Hao Li, Wenjing Lou, Thomas Hou, Yevgeniy Vorobeychik, Chongjie Zhang, Ning Zhang

展开摘要

The integration of external tools has substantially expanded the capabilities of large language model (LLM) agents, but it also introduces new attack surfaces beyond prompt injection. In particular, cross-tool description poisoning can manipulate planner-visible tool metadata to steer an agent’s trajectory, even if the poisoned tool itself is never chosen. To understand the effectiveness of existing defenses against this emerging threat, we first evaluate several prompt-injection defenses and find that they transfer poorly to cross-tool description poisoning. A key observation is that poisoned descriptions persist in the planning context across steps, enabling continuous influence over subsequent tool choices. Building on this insight, we propose Tool-Guard, a novel system-level defense based on a new concept called *isolated planning*, in which tool invocations that are detected as misaligned or suspicious cause the corresponding tool to be placed in a quarantined list (the *influenced list*), breaking further influence from poisoned descriptions. With this influence isolated, the tool can continue to be used to support the task, enabling a robust defense that preserves legitimate tool utility. Experiments on the AgentDojo and ASB benchmarks show that Tool-Guard substantially reduces attack success while maintaining high task utility. Our code is available at https://github.com/shishishi123/Tool-Guard.

Poster
Creat3r: Confidence Reaggregation for Exploration-aware Active 3D Reconstruction

Chih-Jung Tsai, Hwann-Tzong Chen, Tyng-Luh Liu

展开摘要

We present Creat3r, an iterative next-best-view (NBV) selection framework for efficient, high-quality 3D reconstruction. Starting from a small seed set of image-pose pairs, Creat3r repeatedly selects the most informative next camera pose. After each pose is chosen, the corresponding image is acquired and added to the multi-view set to update a 3DGS reconstruction. To guide selection, Creat3r constructs an intermediate point cloud and estimates reconstruction reliability via a novel 3D confidence field, which is projected to candidate poses through Gaussian projection to produce 2D confidence and exploration maps. These maps balance exploitation of reliable regions and exploration of uncertain or unseen areas under computational constraints. Experiments with standard 3DGS show that Creat3r consistently outperforms baselines in novel view synthesis and surface reconstruction, achieving higher SSIM and F1 scores with fewer views.

Poster
Reinforcement Learning with Action-Triggered Observations

Alexander Ryabchenko, Wenlong Mou

展开摘要

We introduce Action-Triggered Sporadically Traceable Markov Decision Processes (ATST-MDPs), a reinforcement learning framework for partial observability in which full state observations occur stochastically at each step, with probability determined by the chosen action. We derive Bellman equations tailored to this setting and establish the existence of an optimal policy. Exploiting the fact that sporadic observations reveal the full state, we provide an equivalent formulation in which agents commit to action-sequences between consecutive observations. Under the linear MDP assumption, we show that the value function over such action-sequences admits a linear representation in a finite-dimensional feature map, enabling standard regression-based methods. As an application, we derive ATST-LSVI-UCB, an optimistic algorithm achieving regret $\widetilde{O}(\sqrt{Kd^3(1-\gamma)^{-3}})$ for episodic learning with geometrically distributed horizons, where $K$ is the number of episodes, $d$ the feature dimension, and $\gamma$ the discount factor (episode continuation probability), matching the known rate for linear MDPs with full observability.

Poster
Flow Equivariant World Models: Structured Memory for Dynamic Environments

Hansen Lillemark, Benhao Huang, Fangneng Zhan, Yilun Du, T. Anderson Keller

展开摘要

Embodied systems experience the world as 'a symphony of flows': a combination of many continuous streams of sensory input coupled to self-motion, interwoven with the dynamics of external objects. These sensory streams and the underlying dynamics of the world obey smooth, time-parameterized symmetries which existing world models ignore. Without a memory that respects this structure, partial observability presents a major obstacle to existing methods: each observation reveals only a fraction of the world, while unobserved regions continue to evolve. In this work, we introduce Flow Equivariant World Modeling, a framework that leverages time-parameterized symmetries within a latent memory for stable and accurate dynamics prediction over long horizons. The latent memory shifts and transforms equivariantly with self-motion and inferred external object motion, keeping information about out-of-view regions aligned as time progresses. We demonstrate the advantage of this framework over state-of-the-art diffusion, memory-augmented, and recurrent world model architectures on 2D and 3D partially observed video world modeling benchmarks. More broadly, our results suggest that predictive representations become more powerful when they are organized in line with the temporal and dynamical structure of the world they model. Project page: https://flowequivariantworldmodels.github.io/

Poster
Turning Drift into Constraint: Robust Reasoning Alignment in Non-Stationary Multi-Stream Environments

Xiaoyu Yang, En Yu, Wei Duan, Jie Lu

展开摘要

This paper identifies a critical yet underexplored challenge in reasoning alignment from multiple multi-modal large language models (MLLMs): In non-stationary environments, the diverse reasoning distributions of source models often evolve unpredictably, transmitting systematic biases and drift to the target model. To address this, we formulate multi-source reasoning alignment as a constraint satisfaction problem under concept drift theory. We propose Autonomous Preference Optimization (APO), a novel framework that treats inter-model divergences not as noise, but as dynamic negative constraints. APO operates via a two-stage protocol: first, supervised bootstrapping projects the target model into the capability union of source models; second, constraint-aware optimization synthesizes a consistent consensus manifold by explicitly suppressing drifting trajectories via a multi-negative Plackett-Luce objective. Extensive experiments on chest X-ray interpretation demonstrate that our 7B model achieves superior robustness, outperforming even proprietary source models in average accuracy. Furthermore, we release CXR-MAX, a large-scale benchmark comprising 170,982 reasoning trajectories from seven large-scale MLLMs to facilitate research on reasoning alignment under drift. Code and data are available at: https://github.com/XiaoyuYoung/APO.

Poster