ICML 2026 论文列表

International Conference on Machine Learning

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6,341篇论文

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Diffusion Bridge or Flow Matching? A Unifying Framework and Comparative Analysis

Kaizhen Zhu, Mokai Pan, Zhechuan Yu, Jingya Wang, Jingyi Yu, Ye Shi

展开摘要

Diffusion Bridge and Flow Matching have both demonstrated compelling empirical performance in transformation between arbitrary distributions. However, there remains confusion about which approach is generally preferable, and the substantial discrepancies in their modeling assumptions and practical implementations have hindered a unified theoretical account of their relative merits. We have, for the first time, provided a unified theoretical and experimental validation of these two models. We recast their frameworks through the lens of Stochastic Optimal Control and prove that the cost function of the Diffusion Bridge is lower, guiding the system toward more stable and natural trajectories. Simultaneously, from the perspective of Optimal Transport, interpolation coefficients $t$ and $1-t$ of Flow Matching become increasingly ineffective when the training data size is reduced. To corroborate these theoretical claims, we propose a novel, powerful architecture for Diffusion Bridge built on a latent Transformer, and implement a Flow Matching model with the same structure to enable a fair performance comparison in various experiments. Comprehensive experiments are conducted across Image Restoration, Translation, and Style Transfer tasks, systematically varying both the distributional discrepancy (different difficulty) and the training data size. Extensive empirical results align perfectly with our theoretical predictions and allow us to delineate the respective advantages and disadvantages of these two models. Our code is available at \url{https://github.com/zhukaizhen/diffusion_bridge_flow_matching}.

Poster
The Geometry of Representational Failures in Vision Language Models

Daniele Savietto, Declan Iain Campbell, André Panisson, Marco Nurisso, Giovanni Petri, Jonathan D. Cohen, Alan Perotti

展开摘要

Vision-Language Models (VLMs) exhibit puzzling failures in multi-object visual tasks, such as hallucinating non-existent elements or failing to identify the most similar objects among distractions. While these errors mirror human cognitive constraints, such as the "Binding Problem'', the internal mechanisms driving them in artificial systems remain poorly understood. Here, we propose a mechanistic insight by analyzing the representational geometry of open-weight VLMs (Qwen, InternVL, Gemma), comparing methodologies to distill "concept vectors'' - latent directions encoding visual concepts. We validate our concept vectors via steering interventions that reliably manipulate model behavior in both simplified and naturalistic vision tasks (e.g., forcing the model to perceive a red flower as blue). We observe that the geometric overlap between these vectors strongly correlates with specific error patterns, offering a grounded quantitative framework to understand how internal representations shape model behavior and drive visual failures.

Poster
Rethinking Temporal Consistency in Video Object-Centric Learning: From Prediction to Correspondence

Zhiyuan Li, Rongzhen Zhao, Wenyan Yang, Wenshuai Zhao, Pekka Marttinen, Joni Pajarinen

展开摘要

The de facto approach in video object-centric learning maintains temporal consistency through learned dynamics modules that predict future object representations, called slots. We demonstrate that these predictors function as expensive approximations of discrete correspondence problems. Modern self-supervised vision backbones already encode instance-discriminative features that distinguish objects reliably. Exploiting these features eliminates the need for learned temporal prediction. We introduce Grounded Correspondence, a framework that replaces learned transition functions with deterministic bipartite matching. Slots initialize from salient regions in frozen backbone features. Frame-to-frame identity is maintained through Hungarian matching on slot representations. The approach requires zero learnable parameters for temporal modeling yet achieves competitive performance on MOVi-D, MOVi-E, and YouTube-VIS. Project page: https://magenta-sherbet-85b101.netlify.app/

Poster
AICrypto: Evaluating Cryptography Capabilities of Large Language Models

Yu Wang, Yijian Liu, Liheng Ji, Han Luo, Wenjie Li, Xiaofei Zhou, Chiyun Feng, Puji Wang, Yuhan Cao, Geyuan Zhang, Xiaojian Li, Rongwu Xu, Yilei Chen, Tianxing He

展开摘要

We build \textbf{AICrypto}, a comprehensive benchmark designed to evaluate the cryptography capabilities of large language models (LLMs). The benchmark comprises 135 multiple-choice questions, 150 capture-the-flag challenges, and 30 proof problems, covering a broad range of skills from knowledge memorization to vulnerability exploitation and formal reasoning. All tasks are carefully reviewed or constructed by cryptography experts to improve correctness and rigor. For each proof problem, we provide detailed scoring rubrics and reference solutions that enable automated grading, achieving high correlation with human expert evaluations. We introduce strong human expert performance baselines for comparison across all task types. Our evaluation of 17 leading LLMs reveals that state-of-the-art models match or even surpass human experts in memorizing cryptographic concepts, exploiting common vulnerabilities, and routine proofs. However, our analysis reveals that they still lack a deep understanding of abstract mathematical concepts and struggle with tasks that require multi-step reasoning and dynamic analysis. We hope this work could provide insights for future research on LLMs in cryptographic applications. Our code and dataset are available at https://github.com/wangyu-ovo/aicrypto-agent.

Poster
On the Power of Statistics in Class-Incremental Learning with Pretrained Models

Zhiwen Cao, Yanfeng Li, Shu-Dong Huang, Yalan Ye, Shuyin Xia, Yi Wang, Jiancheng Lv

展开摘要

Recent class-incremental learning (CIL) methods built on large pre-trained vision models have shown that strong performance can be retained even under strict data access constraints. This raises a fundamental question: which properties of pre-trained representations make such recovery possible in the class-incremental setting? In this work, we show that class-level feature statistics play a central role in enabling effective CIL under strong pre-training. When the visual backbone is frozen, maintaining simple class-wise statistical estimators of features can recover a substantial fraction of the performance achieved by static joint training across diverse benchmarks. We make this observation explicit through deliberately minimal reference points built on frozen CLIP representations. In particular, we demonstrate that competitive performance can be achieved without continual parameter updates, by performing class-incremental inference based solely on class-level statistical estimators instantiated from frozen features. Our findings suggest that class-level statistics constitute an important and previously underemphasized component of recent PTM-based CIL approaches, offering a complementary perspective for understanding their strong empirical performance. Our code is available at https://github.com/HdTgon/baseCIL.

Poster
Overthinking: Amplifying Reasoning Weights to Extract Learned Secrets

Jack Hopkins, Dipika Khullar, Fabien Roger

展开摘要

Black box auditing of language models is an essential pre-deployment tool, but it may miss subtle forms of misalignment and hidden information. To better elicit hidden information during an auditing process, we introduce *overthinking*: the process of using reasoning task vectors to amplify the chain-of-thought faithfulness of reasoning models. Given the parameters of a base instruct model M and reasoning-distilled model R, we define the *overthinking model* as $\mathcal{O}_\alpha = M + \alpha(R - M)$, where $\alpha > 1$ amplifies reasoning beyond the pure reasoning model R. Additionally, we introduce new layer-wise attenuation strategies that selectively amplify reasoning without losing quality and coherence of model outputs. We demonstrate that overthinking models are more likely to reveal hidden information across four experimental settings, across 2B-32B models. Our findings suggest that reasoning amplification may surface secrets or unintended behaviors acquired during training up to $10\times$ more frequently than the original reasoning model. How secrets surface depends on the secret type: some require perturbation along the reasoning direction, while others yield to any sufficiently large weight perturbation.

Poster
GP2F: Cross-Domain Graph Prompting with Adaptive Fusion of Pre-trained Graph Neural Networks

Dongxiao He, Wenxuan Sun, Yongqi Huang, Jitao Zhao, Di Jin

展开摘要

Graph Prompt Learning (GPL) has recently emerged as a promising paradigm for downstream adaptation of pre-trained graph models, mitigating the misalignment between pre-training objectives and downstream tasks. Recently, the focus of GPL has shifted from in-domain to cross-domain scenarios, which is closer to the real world applications, where the pre-training source and downstream target often differ substantially in data distribution. However, why GPLs remain effective under such domain shifts is still unexplored. Empirically, we observe that representative GPL methods are competitive with two simple baselines in cross-domain settings: full fine-tuning (FT) and linear probing (LP), motivating us to explore a deeper understanding of the prompting mechanism. We provide a theoretical analysis demonstrating that jointly leveraging these two complementary branches yields a smaller estimation error than using either branch alone, formally proving that cross-domain GPL benefits from the integration between pre-trained knowledge and task-specific adaptation. Based on this insight, we propose GP2F, a dual-branch GPL method that explicitly instantiates the two extremes: (1) a frozen branch that retains pre-trained knowledge, and (2) an adapted branch with lightweight adapters for task-specific adaptation. We then perform adaptive fusion under topology constraints via a contrastive loss and a topology-consistent loss. Extensive experiments on cross-domain few-shot node and graph classification demonstrate that our method outperforms existing methods.

Poster
FedSSM: State Space Model-based Proactive Inference for Heterogeneous Multimodal Federated Learning

Hengyi Ren, Yuchen Xie, Changlong Wang, Xin Li, Yue Huang, Jian Guo, Lijuan Sun

展开摘要

Multimodal Federated Learning (MMFL) addresses collaborative training across clients with heterogeneous modality configurations, where effective client selection becomes critical under the compounded challenges of modality, distribution, and quantity heterogeneity. Existing selection methods operate within a reactive paradigm, responding to current observations without anticipating how decisions influence future optimization trajectories. This myopic approach leads to suboptimal convergence when training dynamics shift rapidly under severe heterogeneity. We propose FedSSM, which reconceptualizes client selection as a proactive decision-making process by predicting training dynamics through decision-aware state space models. The prediction error yields a \emph{surprise} signal that quantifies uncertainty and governs adaptive participation budgets and exploration-exploitation trade-offs via counterfactual reasoning over candidate actions. For aggregation, we introduce trust-weighted fusion with modality-specific routing, where surprise calibrates sensitivity to client anomalies. Experiments on four multimodal benchmarks demonstrate that FedSSM achieves 2.5--4.5\% accuracy improvements over state-of-the-art methods while reducing communication rounds by over 30\%.

Poster
Neural Quantum States in Mixed Precision

Massimo Solinas, Agnes Valenti, Nawaf Bou-Rabee, Roeland Wiersema

展开摘要

Scientific computing has long relied on double precision (64-bit floating point) arithmetic to guarantee accuracy in simulations of real-world phenomena. However, the growing availability of hardware accelerators such as Graphics Processing Units (GPUs) has made low-precision formats attractive due to their superior performance, reduced memory footprint, and improved energy efficiency. In this work, we investigate the role of mixed-precision arithmetic in neural-network based Variational Monte Carlo (VMC), a widely used method for solving computationally otherwise intractable quantum many-body systems. We first derive general analytical bounds on the error introduced by reduced precision on Metropolis-Hastings MCMC, and then empirically validate these bounds on the use-case of VMC. We demonstrate that significant portions of the algorithm, in particular, sampling the quantum state, can be executed in half precision without loss of accuracy. More broadly, this work provides a theoretical framework to assess the applicability of mixed-precision arithmetic in machine-learning approaches that rely on MCMC sampling. In the context of VMC, we additionally demonstrate the practical effectiveness of mixed-precision strategies, enabling more scalable and energy-efficient simulations of quantum many-body systems.

Poster
Unlocking Cross-Modal Biosignal Synthesis: A Temporally-Aware VAE-Diffusion Model

Chenyang Xu, Dezhen Wang, Hao Wang

展开摘要

Synthesizing authentic phonocardiograms (PCG) from ubiquitous electrocardiograms (ECG) is a critical task for accessible cardiac monitoring. Existing generative models, however, struggle to capture the heart's complex electromechanical coupling, failing to meet the dual requirements of temporal precision and physiological fidelity needed for clinically relevant waveform analysis. We introduce the Temporally-Aware VAE-Diffusion model, a synergistic hybrid architecture that resolves this trade-off. Our architecture enforces tight physiological coupling through an Enhanced Condition Fusion mechanism and explicitly models long-range cardiac dynamics via Temporal Attention Blocks. On the EPHNOGRAM benchmark, our model sets a new state-of-the-art, achieving a Pearson correlation of 0.910$\pm$0.008, 95.95\% S1 detection accuracy, and a precise 12.0 ms timing error, significantly outperforming leading diffusion and Transformer baselines. Crucially, our work provides a reproducible zero-shot transfer evaluation for ECG-to-PCG synthesis. Evaluated on the synchronized PhysioNet/CinC 2016 training-a/MITHSDB subset without target-domain training, our model preserves high waveform fidelity and clinically relevant timing structure under domain shift, including on pathological recordings. These results support cross-dataset robustness of the proposed synthesis framework, while downstream diagnostic validation remains an important direction for future work.

Poster
Probabilistically-routed Bayesian Additive Spanning Trees for Learning on Constrained Domains

Abhisek Chakraborty, Abhishek Mandal, Anirban Chakraborty

展开摘要

Bayesian additive spanning tree (BAST) is an useful tool for interpretable, non-parametric regression on complex constrained domains. It improves upon the performance of Bayesian additive regression trees (BART) by replacing axis-aligned splits through binary tree components by cuts on a spanning tree components, enabling the formation of contiguous splits that respect the underlying complex structure. While BAST is effective for learning on constrained spaces, it still relies on hard partitions, albeit on spanning trees, which limits its ability to represent smoothly varying functions on constrained domains. We propose Probabilistically-routed Bayesian additive spanning trees (PR-BAST), a principled relaxation that replaces hard cuts on spanning tree components with probabilistic routing along spanning tree components. PR-BAST represents the regression surface as an additive ensemble of such spanning tree-aligned smooth components. Conditional on a fixed spanning tree, each component in PR-BAST induces a Gaussian random field with a sparse, tree-structured precision matrix, enabling scalable posterior computation via sparse linear algebra. We theoretically establish that PR-BAST yields strictly faster posterior contraction rates compared to BAST under graph-smooth truth. Experiments on synthetic and real datasets demonstrate that PR-BAST consistently improves accuracy over BAST and other baselines, while retaining the interpretability of tree-based models.

Poster
CaliDist: Calibrating Large Language Models via Behavioral Robustness to Distraction

Mohammad Anas Jawad, Cornelia Caragea

展开摘要

Existing calibration methods for Large Language Models (LLMs) often overlook a critical dimension of trustworthiness: a model's {\em behavioral robustness} to irrelevant or misleading information. In this paper, we argue that a model's true confidence should reflect its stability under cognitive pressure. We introduce \textsc{CaliDist}, a novel post-hoc calibration approach that directly measures and penalizes a model's susceptibility to distraction. \textsc{CaliDist} quantifies how an LLM's predictions and uncertainty change when its input prompt is perturbed with semantic \textit{distractors}. This stability (or lack thereof) signal is then used to adaptively scale the model's initial confidence score. Our extensive experiments on seven Natural Language Understanding classification benchmarks using six distinct LLMs show that \textsc{CaliDist} consistently achieves lower Expected Calibration Error (ECE) and Brier Score compared with strong baselines. Remarkably, our method reduces the ECE from 23\% to 7\% on average—a relative improvement of 70\%—demonstrating that behavioral stability is a powerful signal for calibration. We make our code and datasets available at \url{github.com/m-anas-j/CaliDist}.

Poster
Causal-aware Anomaly Detection for Tabular Data

Dang Nguyen, Tu Anh Hoang Nguyen, Thuc Duy Le, Svetha Venkatesh, Trung Le, Sunil Gupta

展开摘要

Anomaly detection (AD) methods often ignore causal dependencies and treat anomalies as outliers, which is brittle when anomalies are primarily mechanism violations rather than extreme values. We propose CausalAno, a causal-aware detector that trains a causal GAN on normal data and leverages its discriminator to learn mechanism-consistent representations. We score test samples by fitting a Gaussian model in this feature space and computing the Mahalanobis distance, measuring deviation from the normal causal manifold. We demonstrate the effectiveness of CausalAno with extensive experiments on 28 tabular datasets (18 continuous-only and 10 mixed-type), comparing against 16 SOTA baselines. Our results show consistent improvements across both mixed-type and numerical-only settings. Our ablation studies further confirm that the gains come from the causal factorization in the causal GAN rather than a generic GAN backbone. Our CausalAno offers a practical and effective solution for real-world applications where anomalies often arise from mechanism-violating behaviors.

Poster
Geodesic Flow Matching for Denoising High-Dimensional Structured Representations

Karim Habashy, Chris Eliasmith

展开摘要

Vector Symbolic Algebras (VSAs) enable robust neurosymbolic reasoning by encoding information into high-dimensional distributed representations. For continuous domains, Spatial Semantic Pointers (SSPs) extend this framework by mapping variables onto precise toroidal manifolds. While generative models offer a promising avenue for cleaning up (denoising) these representations, standard approaches like Flow Matching assume a flat Euclidean geometry. We demonstrate that this assumption fails for SSPs: Euclidean linear interpolants "cut through" the manifold's interior, destroying the phase and magnitude structure required for accurate decoding. To resolve this, we employ Geodesic Flow Matching, adapting Riemannian transport dynamics to strictly restrict the denoising flow to the SSP manifold. We validate this approach in a Spiking Neural SLAM system, showing that manifold-aware cleanup stabilizes path integration against drift. The method achieves a 72\% reduction in tracking error and enables a 40\% increase in neural efficiency compared to classical baselines.

Poster
Quantifying Cross-Domain Knowledge Distillation in the Presence of Domain Shift

Xiangchao Li, Xiao Han, Qing Yang, Xin Tong

展开摘要

This paper presents a theoretical investigation into the generalization capabilities of cross-domain knowledge distillation. Utilizing a high-dimensional asymptotic analysis of a linear teacher–student model, we characterize the excess risk while accounting for both model and covariate shifts. Our results provide a formal guarantee for the efficacy of distillation: even when the source and target domains differ substantially, there still may exist a regime where the student model achieves superior generalization ability over the student-only baseline. Moreover, we identify a \textit{crossed double descent} phenomenon: the excess risk can vary non-monotonically with the teacher’s and student’s dimension-to-sample-size ratios. These results provide rigorous insight into when and why distillation helps across domains.

Poster
Do LLMs “Feel”? Emotion Circuits Discovery and Control

Chenxi Wang, Yixuan Zhang, Ruiji Yu, Yufei Zheng, Lang Gao, Zirui Song, Zixiang Xu, Gus Xia, Huishuai Zhang, Dongyan Zhao, Xiuying Chen

展开摘要

As the demand for emotional intelligence in large language models (LLMs) grows, a key challenge lies in understanding the internal mechanisms that give rise to emotional expression and in controlling emotions in generated text. This study addresses three core questions: (1) Do LLMs contain context-agnostic mechanisms shaping emotional expression? (2) What form do these mechanisms take? (3) Can they be harnessed for universal emotion control? We first construct a controlled dataset, $\textit{SEV}$ (Scenario–Event with Valence), to elicit comparable internal states across emotions. Subsequently, we extract context-agnostic emotion directions that reveal consistent, cross-context encoding of emotion (Q1). We identify neurons and attention heads that locally implement emotional computation through analytical decomposition and causal analysis, and validate their causal roles via ablation and enhancement interventions. Next, we quantify each sublayer's causal influence on the model’s final emotion representation and integrate the identified local components into coherent global emotion circuits that drive emotional expression (Q2). Directly modulating these circuits achieves 99.65% emotion-expression accuracy on the test set, surpassing prompting- and steering-based methods (Q3). To our knowledge, this is the first systematic study to uncover and validate emotion circuits in LLMs, offering new insights into interpretability and controllable emotional intelligence.

Poster
MedSIGHT: Towards Grounded Visual Comprehension in Medical Large Vision-Language Models

Aofei Chang, Le Huang, Alex James Boyd, Parminder Bhatia, Taha Kass-Hout, Fenglong Ma, Cao Xiao

展开摘要

Medical large vision-language models (Med-LVLMs) have recently achieved remarkable progress in vision–language comprehension and medical image segmentation. However, existing models still struggle to unify these two capabilities, which is essential for achieving clinically reasoning that connects visual findings with semantic interpretation. We present MedSIGHT, a unified framework that equips Med-LVLMs with structured, pixel-level understanding for grounded visual comprehension. MedSIGHT introduces a novel Region Perceiver module that produces region-centric tokens, encoding spatial information directly into representation space of the language model. We further propose a medical region codebook into the LLM vocabulary, allowing the model to generate discrete region codes as symbolic representations of anatomical and pathological regions. These codes are decoded through the Region Perceiver to reconstruct segmentation mask, achieving end-to-end spatial grounding. Lastly, MedSIGHT combines Region Perceiver, Codebook and LLM using our proposed progressive training strategy to gradually aligns these modules stably. Trained on only 72K multimodal instruction pairs, MedSIGHT achieves state-of-the-art performance across diverse imaging modalities on both medical comprehension and segmentation tasks. Code and model are publicly available at [GitHub](https://github.com/Aofei-Chang/MedSIGHT).

Poster
Proximal-IMH: Proximal Posterior Proposals for Independent Metropolis–Hastings with Approximate Operators

Youguang Chen, George Biros

展开摘要

We are considering the problem of sampling from a posterior distribution related to Bayesian inverse problems arising in science, engineering, and imaging. Our method belongs to the family of independence Metropolis--Hastings (IMH) sampling algorithms. These are quite common in Bayesian inference. Relying on the existence of an approximate posterior distribution that is cheaper to sample from but can have significant bias, we introduce Proximal-IMH, a scheme that removes this bias: it corrects samples from the approximate posterior solving an auxiliary optimization problem, yielding a local adjustment that trades off adherence to the exact model against stability around the approximate reference point. For idealized settings, we prove that the proximal correction tightens the match between approximate and exact posteriors, and thereby improves acceptance rates and mixing. The new method works with both linear and nonlinear input-output operators and is especially suitable for inverse problems where exact posterior sampling is too expensive. We perform several numerical experiments that include multimodal and data-driven priors and nonlinear input-output operators. The results show that Proximal-IMH reliably outperforms existing IMH variants.

Poster
Learn-to-learn on Arbitrary Textual Conditioning: A Hypernetwork-Driven Meta-gated LLM

Luo Ji, Qi Qin, Ningyuan Xi, Teng Chen, Qingqing Gu, Hongyan Li

展开摘要

Conventional LLMs may suffer from corpus heterogeneity and subtle changes in conditions. While finetuning can create the catastrophe forgetting issue, applications of meta-learning on LLMs are also limited due to their complexity and scalability. In this paper, we activate the meta-signal of $\beta$ within the SwiGLU blocks, resulting in a meta-gating mechanism that adaptively adjusts the nonlinearity of FFN. A hypernetwork is employed to dynamically produce $\beta$ under textual conditions, providing meta-controllability over LLMs. By testing on different condition types such as task, domain, persona, and style, our method outperforms finetuning and meta-learning baselines, and can generalize reasonably on unseen tasks, condition types, or instructions. Our codes are in https://github.com/AaronJi/MeGan.

Poster
Principled Confidence Estimation for Deep Computed Tomography

Matteo Gätzner, Johannes Kirschner

展开摘要

We present a principled framework for confidence estimation in computed tomography (CT) reconstruction. Based on the sequential likelihood mixing framework (Kirschner et al., 2025), we establish confidence regions with theoretical coverage guarantees for deep-learning-based CT reconstructions. We consider a realistic forward model following the Beer-Lambert law, i.e., a log-linear forward model with Poisson noise, closely reflecting clinical and scientific imaging conditions. The framework is general and applies to both classical reconstruction algorithms and deep learning methods alike, including U-Nets, U-Net ensembles, and generative Diffusion models. Empirically, we demonstrate that deep reconstruction methods yield substantially tighter confidence regions than classical reconstructions, without sacrificing theoretical coverage guarantees. Our approach allows the detection of hallucinations in reconstructed images and provides interpretable visualizations of confidence regions. This establishes deep models not only as powerful estimators, but also as reliable tools for uncertainty-aware medical imaging.

Poster