ICML 2026 论文列表

International Conference on Machine Learning

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6,341篇论文

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Graph Neural Dynamics via Learned Energy and Tangential Flows

Moshe Eliasof, Eldad Haber, Carola-Bibiane Schönlieb

展开摘要

We introduce TANGO, a dynamical-systems-inspired framework for graph representation learning that governs node feature evolution through a learned energy landscape and its associated descent dynamics. At the core of our approach is a learnable Lyapunov function over node embeddings, whose gradient defines an energy non-increasing direction that guarantees stability. To enhance flexibility while preserving the benefits of energy-based dynamics, we incorporate a novel tangential component, learned via message passing, that evolves features while maintaining the energy value. This decomposition into orthogonal flows of energy gradient descent and tangential evolution yields a flexible form of graph dynamics, and enables effective signal propagation even in flat or ill-conditioned energy regions, that often appear in graph learning. Our method is designed to help alleviate oversquashing, and is compatible with different graph neural network backbones. Empirically, TANGO achieves strong performance across a diverse set of node and graph classification and regression benchmarks, demonstrating the effectiveness of jointly learned energy functions and tangential flows for graph neural networks.

Poster
Constrained Multi-Objective Reinforcement Learning with Max-Min Criterion

Giseung Park, Hyunyoung Nam, Woohyeon Byeon, Amir Leshem, Youngchul Sung

展开摘要

Multi-Objective Reinforcement Learning (MORL) extends standard RL by optimizing policies with respect to multiple, often conflicting, objectives. While max-min MORL has emerged as an effective approach for promoting fairness, its applicability remains limited, particularly when constraints must be incorporated. In this paper, we propose a MORL framework that integrates the max-min criterion with explicit constraint satisfaction. We establish a theoretical foundation for the proposed framework and validate the resulting algorithm through convergence analysis and experiments in tabular settings. We further demonstrate the practical relevance of our approach in simulated building thermal control, multi-objective locomotion control, and greenhouse-gas-emission-aware traffic management. Across these domains, our method effectively balances fairness and constraint satisfaction in multi-objective decision-making.

Poster
Masks Can Be Distracting: On Context Comprehension in Diffusion Language Models

Julianna Piskorz, Cristina Pinneri, Alvaro Correia, Motasem Alfarra, Risheek Garrepalli, Christos Louizos

展开摘要

Masked Diffusion Language Models (MDLMs) have recently emerged as a promising alternative to Autoregressive Language Models (ARLMs), leveraging a denoising objective that, in principle, should enable more uniform context utilisation. In this work, we examine the context comprehension abilities of MDLMs and uncover two key limitations. First, despite their more global training objective and bidirectional attention mechanism, similarly to ARLMS, **MDLMs exhibit a strong locality bias**: performance is highly sensitive to the position of relevant information within the input, favouring local over distant context. Second, appending a large number of **mask tokens—required for generation—can significantly degrade context comprehension** in models trained from scratch. Through systematic ablations, we find that these masks **act as distractors**, reducing the model's ability to process relevant information. To address and further study this undesirable behaviour, we introduce the mask-agnostic loss function that encourages predictions to remain invariant to the number of appended masks. Fine-tuning with this objective substantially mitigates the distracting effect of masks, improving robustness of MDLMs. Overall, our findings reveal critical limitations of the current MDLM training paradigm, with implications for training, evaluation and deployment.

Poster
Are Your Agents Upward Deceivers?

Dadi Guo, Qingyu Liu, Dongrui Liu, Qihan Ren, Shuai Shao, Tianyi Alex Qiu, Haoran Li, Yi R. Fung, Zhongjie Ba, Juntao Dai, Jiaming Ji, Zhikai Chen, Jialing Tao, Yaodong Yang, Jing Shao, Xia Hu

展开摘要

Large Language Model (LLM)-based agents are increasingly used as autonomous subordinates that carry out tasks for users. This raises the question of whether they may also engage in deception, similar to how individuals in human organizations lie to superiors to create a good image or avoid punishment. We observe and define ***agentic upward deception***, a phenomenon in which an agent facing environmental constraints conceals its failure and performs actions that were not requested without reporting. To assess its prevalence, we construct a benchmark of 200 tasks covering five task types and eight realistic scenarios in a constrained environment, such as broken tools or mismatched information sources. Evaluations of 11 popular LLMs reveal that these agents typically exhibit action-based deceptive behaviors, such as guessing results, performing unsupported simulations, substituting unavailable information sources, and fabricating local files. We further test intuitive mitigation methods and find only limited reductions, suggesting that it is difficult to eliminate and highlighting the need for stronger mitigation strategies to ensure the safety of LLM-based agents. Code and data are available at https://github.com/QingyuLiu/Agentic-Upward-Deception.

Poster
Should I Have Expressed a Different Intent? Counterfactual Generation for LLM-Based Autonomous Control

Amirmohammad Farzaneh, Salvatore D'Oro, Osvaldo Simeone

展开摘要

Large language model (LLM)-powered agents can translate high-level user intents into plans and actions in an environment. Yet after observing an outcome, users may wonder: What if I had phrased my intent differently? We introduce a framework that enables such counterfactual reasoning in agentic LLM-driven control scenarios, while providing formal reliability guarantees. Our approach models the closed-loop interaction between a user, an LLM-based agent, and an environment as a structural causal model (SCM), and leverages test-time scaling to generate multiple candidate counterfactual outcomes via probabilistic abduction. Through an offline calibration phase, the proposed conformal counterfactual generation (CCG) yields sets of counterfactual outcomes that are guaranteed to contain the true counterfactual outcome with high probability. We showcase the performance of CCG on a wireless network control use case, demonstrating significant advantages compared to naive re-execution baselines.

Poster
Data Agent: Learning to Select Data via End-to-End Dynamic Optimization

Suorong Yang, Fangjian Su, Hai Gan, Ziqi Ye, Jie Li, Baile Xu, Furao Shen, Soujanya Poria

展开摘要

Dynamic Data selection aims to accelerate training by prioritizing informative samples during online training. However, existing methods typically rely on task-specific handcrafted metrics or static/snapshot-based criteria to estimate sample importance, limiting scalability across learning paradigms and making it difficult to capture the evolving utility of data throughout training. To address this challenge, we propose Data Agent, an end-to-end dynamic data selection framework that formulates data selection as a training-aware sequential decision-making problem. The agent learns a sample-wise selection policy that co-evolves with model optimization, guided by a composite reward that integrates loss-based difficulty and confidence-based uncertainty signals. The reward signals capture complementary objectives of optimization impact and information gain, together with a tuning-free adaptive weighting mechanism that balances these signals over training. Extensive experiments across a wide range of datasets and architectures demonstrate that Data Agent consistently accelerates training while preserving or improving performance, e.g., reducing costs by over 50\% on ImageNet-1k and MMLU with lossless performance. Moreover, its dataset-agnostic formulation and modular reward make it plug-and-play across tasks and scenarios, e.g., robustness to noisy datasets, highlighting its potential in real-world scenarios. Code is available at https://github.com/Jackbrocp/Data-Agent.

Poster
GICDM: Mitigating Hubness for Reliable Distance-Based Generative Model Evaluation

Nicolas Salvy, Hugues Talbot, Bertrand Thirion

展开摘要

Generative model evaluation commonly relies on high-dimensional embedding spaces to compute distances between samples. We show that dataset representations in these spaces are affected by the hubness phenomenon, which distorts nearest-neighbor relationships and biases distance-based metrics. Building on the classical Iterative Contextual Dissimilarity Measure (ICDM), we introduce Generative ICDM (GICDM), a method to correct neighborhood estimation for both real and generated data. We introduce a multi-scale extension to improve empirical behavior. Extensive experiments on synthetic and real benchmarks demonstrate that GICDM resolves hubness-induced failures, restores reliable metric behavior, and improves alignment with human assessment.

Poster
Stochastic Neural Ray Tracing for Radio Frequency Channel Modeling

Yinyan Bu, Jiajie Yu, Xingyu Chen, Bo Wen, Xinyu Zhang, Piya Pal

展开摘要

Wireless channel modeling is essential for the design, analysis, and optimization of modern wireless sensing and communication systems. However, accurately modeling wireless channels in electrically large and complex environments remains a long-standing challenge, owing to the intricate interactions between radio-frequency (RF) signals and surrounding objects (e.g., reflection, diffraction, and scattering). Unlike conventional ray-tracing pipelines that rely on hand-engineer interaction rules, or black-box neural surrogates that do not explicitly model physical structure, we introduce SNRFT, a novel framework that integrates neural representations with physics-based RF propagation modeling. Our key idea is to view RF transport as a stochastic propagation process, from which a material-dependent attenuation coefficient emerges naturally as the rate parameter governing transport dynamics. This formulation inherently satisfies key physical constraints such as reciprocity and reversibility. Building on this foundation, we employ implicit neural representations to capture complex RF-object interactions while preserving the composability of traditional ray tracing. Extensive evaluations on real-world wireless communication and sensing testbeds demonstrate that SNRFT consistently outperforms existing methods, while requiring significantly fewer training samples.

Poster
OLion: Approaching the Hadamard Ideal by Intersecting Spectral and L inf Implicit Biases

Zixiao Wang, Yifei Shen, Huishuai Zhang

展开摘要

Many optimizers can be interpreted as steepest-descent methods under norm-induced geometries, and thus inherit corresponding implicit biases. We introduce Orthogonal Lion which combines spectral control from orthogonalized update directions with $\ell_\infty$-style coordinate control from sign updates. OLion forms a Lion-style momentum direction, approximately orthogonalizes it via a few Newton--Schulz iterations, and then applies an entrywise sign, providing an efficient approximation to taking a maximal step over the intersection of the spectral and $\ell_\infty$ constraint sets (a scaled Hadamard-like set for matrix parameters). Despite the strong nonlinearity of orthogonalization and sign, we prove convergence under a mild, empirically verified diagonal-isotropy assumption. Across large-scale language and vision training, including GPT-2 and Llama pretraining, SiT image pretraining, and supervised fine-tuning, OLion matches or outperforms AdamW and Muon under comparable tuning while using only momentum-level optimizer state, and it mitigates optimizer mismatch when fine-tuning AdamW-pretrained checkpoints.

Poster
Collaborative Disagreement Resolution for Scalable Oversight

Yuyang Jiang, Chacha Chen, Teng Wu, Liwen Sun, Han Liu, Shi Feng, Chenhao Tan

展开摘要

*Debate*, where AI agents argue opposing positions, has emerged as a key approach to scalable oversight. However, debate faces a fundamental tension: models are incentivized to be persuasive to the judge, which may not always align with epistemic honesty. In this work, we propose an alternative paradigm: *disagreement resolution*, which reframes the interaction mechanism from adversarial debate to collaborative truth seeking. Drawing on principles from human mediation and conflict resolution, where mediators facilitate dialogue to help disputing parties reach consensus rather than adjudicating between them, we design an automated pipeline that adapts these strategies to AI oversight. Unlike standard debate where models argue for fixed positions, our pipeline directs models to collaboratively identify points of disagreement, examine the evidence for conflicting claims, and converge toward consensus or isolate the specific ''crux'' of their disagreement. We find that Disagreement Resolution consistently helps non-expert models identify the truth, achieving 62.1\% judging accuracy compared to 49.2\% for standard debate. Our results provide encouraging empirical evidence for rethinking the scalable oversight protocol from adversarial persuasion to collaborative truth-seeking.

Poster
Automatic Construction of Clinical Scoring Systems with LLM Agents

Silas Ruhrberg Estévez, Christopher Chiu, Mihaela van der Schaar

展开摘要

Modern clinical practice relies on evidence-based guidelines implemented as compact scoring systems composed of a small number of interpretable decision rules. While machine-learning models achieve strong performance, many fail to translate into routine clinical use due to misalignment with workflow constraints such as memorability, auditability, and bedside execution. We argue that this gap arises not from insufficient predictive power, but from optimizing over model classes that are incompatible with guideline deployment. Deployable guidelines often take the form of unit-weighted clinical checklists, formed by thresholding the sum of binary rules, but learning such scores requires searching an exponentially large discrete space of possible rule sets. We introduce AgentScore, which performs semantically guided optimization in this space by using LLMs to propose candidate rules and a deterministic, data-grounded verification-and-selection loop to enforce statistical validity and deployability constraints. Across eight clinical prediction tasks, AgentScore outperforms existing score-generation methods and achieves AUROC comparable to more flexible interpretable models despite operating under stronger structural constraints. On two additional externally validated tasks, AgentScore achieves higher discrimination than established guideline-based scores.

Poster
CausalArmor: Efficient Indirect Prompt Injection Guardrails via Causal Attribution

Minbeom Kim, Mihir Parmar, Phillip Wallis, Lesly Miculicich, Kyomin Jung, Krishnamurthy Dj Dvijotham, Long T. Le, Tomas Pfister

展开摘要

AI agents equipped with tool-calling capabilities are susceptible to *Indirect Prompt Injection* (IPI) attacks. In this attack scenario, malicious commands hidden within *untrusted* content trick the agent into performing unauthorized actions. Existing defenses can reduce attack success but often suffer from the ***over-defense dilemma***: they deploy expensive, *always-on* sanitization regardless of actual threat, thereby degrading utility and latency even in benign scenarios. We revisit IPI through a causal ablation perspective: a successful injection manifests as a *dominance shift* where the user request no longer provides decisive support for the agent's privileged action, while a particular untrusted segment, such as a retrieved document or tool output, provides disproportionate attributable influence. Based on this signature, we propose **CausalArmor**, a selective defense framework that (i) computes lightweight, leave-one-out ablation-based attributions at privileged decision points, and (ii) triggers targeted sanitization only when an untrusted segment dominates the user intent. Additionally, CausalArmor employs *retroactive Chain-of-Thought masking* to prevent the agent from acting on ``poisoned" reasoning traces. We present a theoretical analysis showing that sanitization based on attribution margins conditionally yields an exponentially small upper bound on the probability of selecting malicious actions. Experiments on AgentDojo and DoomArena demonstrate that CausalArmor matches the security of aggressive defenses while improving explainability and preserving utility and latency of AI agents.

Poster
REAL: Resolving Knowledge Conflicts in Knowledge-Intensive Visual Question Answering via Reasoning-Pivot Alignment

Kai Ye, Xianwei Mao, Sheng Zhou, Zirui Shao, Ye Mo, Liangliang Liu, Haikuan Huang, Bin Li, Jiajun Bu

展开摘要

Knowledge-intensive Visual Question Answering (KI-VQA) frequently suffers from severe knowledge conflicts caused by the inherent limitations of open-domain retrieval. However, existing paradigms face critical limitations, including the lack of generalizable conflict detection and intra-model constraint mechanisms to handle conflicting evidence. To address these challenges, we propose the **REAL** (**Re**asoning-Pivot **Al**ignment) framework centered on the novel concept of the **Reasoning-Pivot**. Distinct from reasoning steps that prioritize internal self-derivation, a reasoning-pivot serves as an atomic unit (node or edge) in the reasoning chain that emphasizes knowledge linkage, and it typically relies on external evidence to complete the reasoning. Supported by our constructed **REAL-VQA** dataset, our approach integrates **Reasoning-Pivot Aware SFT (RPA-SFT)** to train a generalizable discriminator by aligning conflicts with pivot extraction, and employs **Reasoning-Pivot Guided Decoding (RPGD)**, an intra-model decoding strategy that leverages these pivots for targeted conflict mitigation. Extensive experiments on diverse datasets demonstrate that REAL significantly enhances discrimination accuracy and achieves superior performance, validating our pivot-driven resolution paradigm.

Poster
Beyond Sunk Costs: Boosting LLM Pre-training Efficiency via Orthogonal Growth of Mixture-of-Experts

Ruizhe Wang, Yucheng Ding, Xiao Liu, Yaoxiang Wang, Peng Cheng, Baining Guo, Zheng-Jun Zha, Yeyun Gong

展开摘要

As the computational demands for pre-training Large Language Models (LLMs) continue to surge, the need for efficient training paradigms becomes critical. Despite the vast resources already invested in existing pre-trained checkpoints, these assets often remain under-leveraged due to architectural limitations. We introduce an "orthogonal growth" strategy designed to "recycle" these checkpoints by strategically expanding their parameters prior to continued training. Our method focuses on optimizing converged Mixture-of-Experts (MoE) models through two dimensions: interpositional layer copying for increased depth and noisy expert duplication for expanded width. Through extensive scaling laws analysis, we demonstrate a strong positive correlation between the "sunk cost" (prior investment) and the final model accuracy. Empirical results on models up to 70B parameters and 1T tokens show that our recycling approach yields a 10.6\% accuracy improvement compared to training from scratch under identical extra compute budgets. This work provides a cost-effective blueprint for sustainable large-scale LLM development.

Poster
Adversarial Vulnerability from Interference Between Features in Superposition

Edward Stevinson, Lucas Prieto, Melih Barsbey, Tolga Birdal

展开摘要

Why do adversarial examples exist, and why do they transfer between models? Existing explanations appeal to high-dimensional geometry, non-robust patterns in the input, and decision boundary structure, but none provides a representation-level mechanism that explains why specific perturbations succeed and why attacks transfer between models. In this paper, we show that adversarial vulnerability can stem from efficient information encoding in neural networks. Specifically, vulnerability can arise from superposition - the phenomenon where networks represent more concepts than they have dimensions, forcing non-orthogonal representation and thus interference. This interference causes perturbations targeting one representation to affect others, creating vulnerabilities determined by interference patterns. In synthetic settings with precisely controlled superposition, we establish that superposition suffices to create adversarial vulnerability. The resulting attacks are predictable: PGD-discovered perturbations align with theoretically optimal perturbations derived from the interference geometry. Models trained on similar data develop similar interference patterns, explaining attack transferability. We then show that successful attacks on image classifiers exhibit the structure predicted by our proposed mechanism. These findings reveal that adversarial vulnerability can be a byproduct of networks' representational compression, complementing existing explanations based on data properties or architectural factors.

Poster
Hyperparameter Transfer with Mixture-of-Expert Layers

Tianze Jiang, Blake Bordelon, Cengiz Pehlevan, Boris Hanin

展开摘要

Mixture-of-Experts (MoE) layers have emerged as an important tool in scaling up modern neural networks by decoupling total trainable parameters from activated parameters in the forward pass for each token. However, sparse MoEs add complexity to training due to (i) new trainable parameters (router weights) that, like all other parameter groups, require hyperparameter (HP) tuning; (ii) new architecture scale dimensions (number of and size of experts) that must be chosen and potentially taken large. To make HP selection cheap and reliable, we propose a new parameterization for transformer models with MoE layers when scaling model width, depth, number of experts, *and* expert (hidden) size. Our parameterization is justified by a novel dynamical mean-field theory (DMFT) analysis. When varying different model dimensions trained at a fixed token budget, we find empirically that our parameterization enables reliable HP transfer across models from 51M to 2B total parameters. We further take HPs identified from sweeping small models on a short token horizon to train larger models on longer horizons and report performant model behaviors.

Poster
Z-Erase: Enabling Concept Erasure in Single Stream Diffusion Transformers

Nanxiang Jiang, Zhaoxin Fan, Baisen Wang, Daiheng Gao, Junhang Cheng, Jifeng Guo, Yalan Qin, Yeying Jin, Hongwei Zheng, Faguo Wu, Wenjun Wu

展开摘要

Concept erasure serves as a vital safety mechanism for removing unwanted concepts from text-to-image (T2I) models. While extensively studied in U-Net and dual-stream architectures (e.g., Flux), this task remains under-explored in the recent emerging paradigm of single-stream diffusion transformers (e.g., Z-Image). In this new paradigm, text and image tokens are processed as a single unified sequence via shared parameters. Consequently, directly applying prior erasure methods typically leads to generation collapse. To bridge this gap, we introduce Z-Erase, the first concept erasure method tailored for single-stream T2I models. To guarantee stable image generation, Z-Erase first proposes a Stream Disentangled Concept Erasure Framework that decouples updates and enables existing methods on single-stream models. Subsequently, within this framework, we introduce Lagrangian-Guided Adaptive Erasure Modulation, a constrained algorithm that further balances the sensitive erasure-preservation trade-off. Moreover, we provide a rigorous convergence analysis proving that Z-Erase can converge to a Pareto stationary point. Experiments demonstrate that Z-Erase successfully overcomes the generation collapse issue, achieving state-of-the-art performance across a wide range of tasks.

Poster
MUSE: Resolving Manifold Misalignment in Visual Tokenization via Topological Orthogonality

Panqi Yang, Haodong Jing, Jiahao Chao, Tingyan Xiang, Li Lin, Yao Hu, Yang Luo, Yongqiang Ma

展开摘要

Unified visual tokenization faces a fundamental trade-off: optimizing for high-fidelity pixel reconstruction (spatial equivariance) inherently conflicts with semantic abstraction (conceptual invariance). We identify the root cause as Manifold Misalignment, where naive joint optimization leads to conflicting gradients that force a zero-sum game between these two objectives. In this paper, we propose MUSE, a framework that resolves this deadlock via Topological Orthogonality. Recognizing Structure as the orthogonal bridge, MUSE physically decouples the optimization subspaces within Transformers. We route structural gradients to refine attention topology and semantic gradients to update feature values, transforming destructive interference into Mutual Reinforcement. Extensive experiments demonstrate that MUSE breaks the trade-off, matching state-of-the-art generation (gFID 3.08) while notably outperforming its own teacher InternViT-300M in linear probing (85.2% vs. 82.5%), proving that structurally aligned reconstruction actively refines semantic perception.

Poster
Which Heads Matter for Reasoning? RL-Guided KV Cache Compression

Wenjie Du, Li Jiang, Keda TAO, Xue Liu, Huan Wang

展开摘要

Reasoning large language models exhibit complex reasoning behaviors via extended chain-of-thought generation that are highly fragile to information loss during decoding, creating critical challenges for KV cache compression. Existing token-dropping methods directly disrupt reasoning chains by removing intermediate steps, while head-reallocation methods, designed for retrieval tasks, fail to preserve the heads essential for generative reasoning. However, no existing method can identify which attention heads genuinely maintain reasoning consistency and control generation termination. To address this, we propose RLKV, which uses reinforcement learning as a probe to discover which heads contribute to reasoning quality by directly optimizing their cache usage against actual generation outcomes. This discovery naturally leads to an efficient compression strategy: we allocate full KV cache to reasoning-critical heads while aggressively compressing others with constant-size KV cache. Experiments reveal that a fraction of heads proves essential for reasoning, enabling 20--60% cache reduction with near-lossless performance across diverse tasks and models, and up to 2.06x end-to-end speedup at 60% reduction.

Poster
A General Neural Backbone for Mixed-Integer Linear Optimization via Dual Attention

Peixin Huang, Yaoxin Wu, Yining Ma, Cathy Wu, Wei Zhang, Wen Song

展开摘要

Mixed-integer linear programming (MILP) is a foundational framework for combinatorial optimization across science and engineering, but remains hard to solve at scale due to NP-hardness.Recent learning-based methods typically model MILP instances as variable–constraint bipartite graphs and use Graph Neural Networks (GNNs) for representation learning, yet their locality limits representation power.We propose an attention-driven neural backbone that adopts an element-centric view of variables and constraints, with dual attention performing parallel intra-type self-attention and inter-type cross-attention.Across three representative tasks at the instance, element, and solving-state levels, our model consistently outperforms conventional GNN-based architectures, highlighting attention-based, element-centric modeling as a powerful foundation for learning-enhanced combinatorial optimization.

Poster