ICML 2026 论文列表

International Conference on Machine Learning

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6,341篇论文

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DOUBT: Decoupled Object-level Understanding and Bridging via vMF-based Trustworthiness for Hallucination Detection in MLLMs

Kaiqi Chen, Yang Qin, Changhao He, Xi Peng, Peng Hu

展开摘要

Multimodal Large Language Models (MLLMs) frequently produce hallucinations (i.e., assertions that contradict the image or facts), undermining reliability in high-risk applications. Existing detection approaches typically feed images and texts jointly and estimate hallucination scores by measuring the consistency of model outputs. However, because the visual module often lags behind the language module in understanding and reasoning, MLLMs can repeatedly produce similar yet incorrect answers, yielding overestimated trustworthiness and missed detections. To address this, we propose a simple yet effective model-agnostic method, dubbed Decoupled Object-level Understanding and Bridging via vMF-based Trustworthiness (DOUBT). DOUBT first employs Object-level Understanding and Bridging (OUB), a two-step prompting scheme that decouples object recognition from relational reasoning by prompting the model to identify objects and then reason based on them. It further introduces a von Mises-Fisher (vMF)-based trustworthiness metric, which is more stable than semantic entropy metrics in small-sample settings. Extensive experiments and ablation studies on multiple benchmarks show that DOUBT consistently outperforms state-of-the-art baselines, demonstrating its robustness and generalizability for hallucination detection in MLLMs. The code is available at https://github.com/XLearning-SCU/2026-ICML-DOUBT.

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Multimodal Latent Language Modeling with Next-Token Diffusion

Yutao Sun, Hangbo Bao, Wenhui Wang, Zhiliang Peng, Li Dong, Shaohan Huang, Yaoyao Chang, Jianyong Wang, Furu Wei

展开摘要

Multimodal generative models require a unified approach to handle both discrete data (e.g., text and code) and continuous data (e.g., image, audio, video). In this work, we propose Latent Language Modeling (LatentLM), which seamlessly integrates continuous and discrete data using causal Transformers. Specifically, we employ a variational autoencoder (VAE) to represent continuous data as latent vectors and introduce next-token diffusion for autoregressive generation of these vectors. Additionally, we develop $\sigma$-VAE to address the challenges of variance collapse, which is crucial for autoregressive modeling. Extensive experiments demonstrate the effectiveness of LatentLM across various modalities. In image generation, LatentLM sis competitive with or outperforms DiT-style baselines under matched unified settings. When integrated into multimodal large language models, LatentLM provides a general-purpose interface that unifies multimodal generation and understanding. Experimental results show that LatentLM achieves favorable performance compared to Transfusion and vector quantized models in the setting of scaling up training tokens. In text-to-speech synthesis, LatentLM outperforms the state-of-the-art VALL-E 2 model in speaker similarity and robustness, while requiring 10 fewer decoding steps. The results establish LatentLM as a highly effective and scalable approach to advance large multimodal models.

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Large-Scale Terminal Agentic Trajectory Generation from Dockerized Environments

Siwei Wu, Yizhi Li, Yuyang Song, Wei Zhang, Yang Wang, Riza Batista-Navarro, Xian Yang, Mingjie Tang, Bryan Dai, Jian Yang, Chenghua Lin

展开摘要

Training agentic models for terminal-based tasks critically depends on high-quality terminal trajectories that capture realistic long-horizon interactions across diverse domains. However, constructing such data at scale remains challenging due to two key requirements: \textbf{\emph{Executability}}, since each instance requires a suitable and often distinct Docker environment; and \textbf{\emph{Verifiability}}, because heterogeneous task outputs preclude unified, standardized verification. To address these challenges, we propose \textbf{TerminalTraj}, a scalable pipeline that (i) filters high-quality repositories to construct Dockerized execution environments, (ii) generates Docker-aligned task instances, and (iii) synthesizes agent trajectories with executable validation code. Using TerminalTraj, we curate 32K Docker images and generate 50,733 verified terminal trajectories across eight domains. Models trained on this data with the Qwen2.5-Coder backbone achieve consistent performance improvements on TerminalBench (TB), with gains of up to 20\% on TB 1.0 and 10\% on TB 2.0 over their respective backbones. Notably, \textbf{TerminalTraj-32B} achieves strong performance among models with fewer than 100B parameters, reaching 35.30\% on TB 1.0 and 22.00\% on TB 2.0, and demonstrates improved test-time scaling behavior.

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On the Existence of Consistent Adversarial Attacks in High-Dimensional Linear Classification

Matteo Vilucchio, Lenka Zdeborová, Bruno Loureiro

展开摘要

What fundamentally distinguishes an adversarial attack from a misclassification due to limited model expressivity or finite data? In this work, we investigate this question in the setting of high-dimensional binary classification, where statistical effects due to limited data availability play a central role. We introduce a new error metric that precisely capture this distinction, quantifying model vulnerability to consistent adversarial attacks --- perturbations that preserve the ground-truth labels. Our main technical contribution is an exact and rigorous asymptotic characterization of these metrics in both well-specified models and latent space models, revealing different vulnerability patterns compared to standard robust error measures. The theoretical results demonstrate that as models become more overparameterized, their vulnerability to label-preserving perturbations grows, offering theoretical insight into the mechanisms underlying model sensitivity to adversarial attacks.

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Mechanistic Data Attribution: Tracing the Training Origins of Interpretable LLM Units

Jianhui Chen, Yuzhang Luo, Liangming Pan

展开摘要

While mechanistic interpretability has identified interpretable circuits in large language models (LLMs), their causal origins in training data remain elusive. We introduce *mechanistic data attribution* (MDA), a scalable framework that employs influence functions to trace interpretable units back to specific training samples. Through extensive experiments on the Pythia family, we causally validate that targeted intervention—removing or augmenting a small fraction of high-influence samples—significantly modulates the emergence of interpretable heads, whereas random interventions show no effect. Our analysis reveals that repetitive structural data (e.g., LaTeX, XML) acts as a mechanistic catalyst. Furthermore, we observe that interventions targeting induction head formation induce a concurrent change in the model’s in-context learning (ICL) capability. This provides direct causal evidence for the long-standing hypothesis regarding the functional link between induction heads and ICL. Finally, we propose a mechanistic data augmentation pipeline that consistently accelerates circuit convergence across model scales, providing a principled methodology for steering the developmental trajectories of LLMs.

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Score-Repellent Monte Carlo: Toward Efficient Non-Markovian Sampler with Constant Memory in General State Spaces

Jie Hu, Lingyun Chen, Geeho Kim, Jinyoung Choi, Bohyung Han, Do Young Eun

展开摘要

History-dependent sampling can reduce long-run Monte Carlo variance by discouraging redundant revisits, but existing schemes typically encode history through empirical measure on finite state spaces, which is infeasible in high-dimensional discrete configuration spaces or ill-posed in continuous domains. We propose *Score-Repellent Monte Carlo* (SRMC) framework that summarizes trajectory history by a running average of score evaluations in $\mathbb{R}^d$, where $d$ is the dimension of the score and state representation. This history is converted into a surrogate target through an exponential *score tilt*, indexed with $\alpha$ that represents the *strength of repellence* in controlling the magnitude of the history-based repulsion. The surrogate family is normalization-free in the standard MCMC sense, yielding a generic wrapper: at each iteration, any base kernel targeting $\pi$ can instead be run on the current surrogate $\pi_{\theta_n}$ while the history is updated online. We analyze the coupled evolution of the history recursion and Monte Carlo estimators using stochastic approximation with controlled Markovian noise, establishing almost sure convergence and a joint central limit theorem. We further identify regimes in which the asymptotic covariance decreases as $\alpha$ increases, with scaling $O(1/\alpha)$, extending the near-zero-variance effect of finite-state history-dependent samplers to general state spaces with constant memory. Experiments on continuous targets and discrete energy-based models demonstrate improved estimator variance and mode coverage, while retaining $O(d)$ memory usage and modest per-iteration overhead.

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Decoupling Skeleton and Flesh: Efficient Multimodal Table Reasoning with Disentangled Alignment and Structure-aware Guidance

Yingjie Zhu, Xuefeng Bai, Kehai Chen, Yang Xiang, Youcheng Pan, Xiaoqiang Zhou, Min Zhang

展开摘要

Reasoning over table images remains challenging for Large Vision-Language Models (LVLMs) due to complex layouts and tightly coupled structure-content information. Existing solutions often depend on expensive supervised training, reinforcement learning, or external tools, limiting efficiency and scalability. This work addresses a key question: how to adapt LVLMs to table reasoning with minimal annotation and no external tools? Specifically, we first introduce DiSCo, a Disentangled Structure-Content alignment framework that explicitly separates structural abstraction from semantic grounding during multimodal alignment, efficiently adapting LVLMs to tables structures. Building on DiSCo, we further present Table-GLS, a Global-to-Local Structure-guided reasoning framework that performs table reasoning via structured exploration and evidence-grounded inference. Extensive experiments across diverse benchmarks demonstrate that our framework efficiently enhances LVLM's table understanding and reasoning capabilities, particularly generalizing to unseen table structures. Our data and code are available at https://github.com/AAAndy-Zhu/TableVLM.

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Stable-GFlowNet: Toward Diverse and Robust LLM Red-Teaming via Contrastive Trajectory Balance

Minchan Kwon, Sunghyun Baek, Minseo Kim, Jaemyung Yu, Dongyoon Han, Junmo Kim

展开摘要

Large Language Model Red-Teaming, which proactively identifies vulnerabilities of large language models, is an essential process for ensuring safety. Finding effective and diverse attacks in red team activities is important, but achieving both is challenging. Generative Flow Networks (GFN) that perform distribution matching are a promising method, but they are notorious for training instability and mode collapse. In particular, unstable reward functions in red team activities accelerate mode collapse. We propose Stable-GFN (S-GFN), which eliminates Z estimation in GFN and reduces training instability. S-GFN avoids Z-estimation through pairwise comparisons and employs a robust masking methodology against noisy rewards. Additionally, we propose a fluency stabilizer to prevent the model from getting stuck in local optima that produce gibberish. S-GFN provides more stable training while maintaining the optimal policy of GFN. We demonstrate the overwhelming attack performance and diversity of S-GFN across various settings.

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Language Model Circuits Are Sparse in the Neuron Basis

Aryaman Arora, Zhengxuan Wu, Jacob Steinhardt, Sarah Schwettmann

展开摘要

The high-level concepts that a neural network uses to perform computation need not be aligned to individual neurons (Smolensky, 1986). Language model interpretability research has thus turned to techniques which decompose the neuron basis into more interpretable units of model computation, such as sparse autoencoders (SAEs). However, not all neuron-based representations are uninterpretable. For the first time, we empirically show that **MLP neurons are as sparse a feature basis as SAEs**. We use this finding to develop an end-to-end gradient-based attribution pipeline for circuit tracing on the MLP neuron basis, which surfaces causally effective neurons on a variety of tasks. On a standard subject-verb agreement benchmark (Marks et al., 2025), a circuit of $\approx 10^2$ MLP neurons is enough to control model behaviour. On the multi-hop city-state-capital task from Lindsey et al. (2025), we find a circuit in which small sets of neurons encode specific latent reasoning steps (e.g. mapping a city to its state), and can be steered to change the model's output. This work thus advances automated interpretability of language models without imposing additional training costs.

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Progressive Graph Structure Adjustment for Homophily Shift Adaptation

Hongwei Wen, Can Zhang, Haoyu He, Hanyuan Hang, Minglong Lei

展开摘要

We propose *Progressive Structure Adjustment for Homophily Shift* (*PSAHS*), a lightweight method for *Graph Domain Adaptation* (*GDA*) that explicitly addresses cross-domain mismatch in node-level homophily. PSAHS enhances node homophily in the source graph to a prescribed level by reweighting edges and introducing additional intra-class connections for low-homophily nodes, and conservatively refines the target graph using agreement-consistent predictions from a structure-aware *Graph Neural Network* (*GNN*) and an attribute-only *Multi-Layer Perceptron* (*MLP*) to ensure reliability under label scarcity. After each structural refinement, domain-adversarial training is employed to align node representations across domains. PSAHS employs a progressive training scheme that alternates between structure adjustment and representation alignment, where increasingly informative representations enable safer homophily correction, and the refined structure in turn improves representation learning. Extensive experiments on multiple GDA benchmarks demonstrate that PSAHS consistently outperforms strong baselines, with particularly large gains under severe homophily mismatch, highlighting the importance of explicit homophily alignment for effective cross-graph transfer.

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Asymmetric Multi-View Clustering with Hyperbolic Uncertainty Modeling

Yiming Wang, Qun Li, Dongxia Chang, Jie Wen, Hua Dai, Fu Xiao

展开摘要

Deep Multi-View Clustering (MVC) aims to learn a unified semantic representation from diverse data sources without supervision. However, current approaches relying on flat Euclidean embeddings often fail to model data uncertainty, resulting in rigid alignment where high-quality views are forced to drift toward corrupted ones. To address these challenges, we propose the Hyperbolic Asymmetric Multi-view Clustering (HAMC) framework. HAMC maps view-specific features into the Poincaré ball and uses radial geometry as a confidence proxy, encouraging confident representations to occupy larger radial distances while allowing ambiguous or noisy samples to remain closer to the origin. To mitigate noise, we introduce an asymmetric view alignment mechanism, enabling reliable views to unidirectionally guide unreliable ones. Furthermore, a consensus-aware cluster learning strategy is designed to construct robust global pseudo-labels via a confidence-based screening scheme, refining the cluster structure. Extensive experiments against 13 baselines demonstrate that HAMC achieves state-of-the-art performance.

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Updating Parametric Knowledge with Context Distillation Retains Post-Training Capabilities

Shankar Padmanabhan, Mustafa Omer Gul, Tanya Goyal

展开摘要

Post-training endows pretrained LLMs with a variety of desirable skills, including instruction-following, reasoning, and others. However, these post-trained LLMs only encode knowledge up to a cut-off date, necessitating continual adaptation. Unfortunately, existing solutions cannot simultaneously learn new knowledge from an adaptation document corpora and mitigate the forgetting of earlier learned capabilities. To address this, we introduce Distillation via Split Contexts (DiSC), a simple context-distillation based approach for continual knowledge adaptation. DiSC derives student and teacher distributions by conditioning on distinct segments of the training example and minimizes the KL divergence between the shared tokens. This allows us to efficiently apply context-distillation without requiring explicit generation steps during training. We run experiments on four post-trained models and two adaptation domains. Compared to prior finetuning and distillation methods for continual adaptation, DiSC consistently reports the best trade-off between learning new knowledge and mitigating forgetting of previously learned skills like instruction-following, reasoning, and factual knowledge.

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$\tau^2$-Bench: Evaluating Conversational Agents in a Dual-Control Environment

Victor Barres, Honghua Dong, Soham Ray, Xujie Si, Karthik R Narasimhan

展开摘要

Existing benchmarks for conversational AI agents simulate _single-control_ environments, where only the AI agent can use tools to interact with the world, while the user remains a passive information provider. This differs from real-world scenarios like technical support, where users need to actively participate in modifying the state of the (shared) world. In order to address this gap, we introduce $\tau^2$-bench, with four key contributions: (1) A novel Telecom dual-control domain modeled as a Dec-POMDP, where both agent and user make use of tools to act in a shared, dynamic environment that tests both agent coordination and communication; (2) A compositional task generator that programmatically creates diverse, verifiable tasks from atomic components, ensuring domain coverage and controlled complexity; (3) A reliable user simulator tightly coupled with the environment, whose behavior is constrained by tools and observable states, improving simulation fidelity; (4) Fine-grained analysis of agent performance through multiple ablations including separating errors arising from reasoning vs communication/coordination. In particular, our experiments show significant performance drops when agents shift from no-user to dual-control, highlighting the challenges of guiding users. Overall, $\tau^2$-bench provides a controlled testbed for agents that must both reason effectively and guide user actions. Code, data, and leaderboard are available at https://taubench.com/.

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Jailbreak to Protect: Buffering and Reinforcing via Temporary Jailbreaking for Safe Fine-Tuning in Large Language Models

Seokil Ham, Jaehyuk Jang, Wonjun Lee, Changick Kim

展开摘要

Fine-tuning-as-a-Service (FaaS) enables personalization of large language models (LLMs), but it can weaken safety-alignment under harmful fine-tuning attacks. Recent work has shown that activating harmful-behavior modules during fine-tuning can prevent models from learning undesired behaviors, but its mechanism remains unclear. In this paper, we revisit temporary jailbreaking as a defense against harmful fine-tuning and provide a gradient-level analysis showing that it saturates safety-degrading gradients while preserving benign task-relevant gradients. Based on this insight, we propose a **Buffer-and-Reinforce fine-tuning framework** that buffers harmful updates during user fine-tuning and reinforces safety after adaptation. Specifically, BufferLoRA induces temporary jailbreaking as a removable adapter to reduce harmful updates during user fine-tuning. After adaptation, ReinforceLoRA, trained to recover refusal behavior under the temporarily jailbroken state, is integrated with UserLoRA via QR decomposition-based merging to reinforce safety while preserving user-task performance. Extensive experiments show that our framework achieves superior safety and utility with no additional safety data during user fine-tuning and minimal computational cost.

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Towards Sub-Second Molecular Docking as a Structural Primitive: A Quantized Consistency Diffusion Framework

Kexin Zhang, Weichen Qin, Yue Teng, Jiale Yu, Yuanyuan Ma, Jinyu Lin, Liping Sun, Jie Zheng, Jingyi Yu

展开摘要

Agent-centered scientific discovery is turning scientific models into always-on computational infrastructure. In this paradigm, AI agents coordinate tools, interpret feedback, and drive high-frequency research loops, requiring domain models that are both accurate and callable in real time. Molecular docking exposes this bottleneck: it provides essential structural feedback for drug discovery, yet current high-fidelity docking and co-folding models remain limited by iterative generative refinement and heavy computation. We present a compute-efficient co-folding framework that turns molecular docking into a sub-second structural primitive. Because docking methods operate under different levels of structural prior, we report accuracy under information-level-matched protocols, comparing blind settings with blind generative methods and interface-informed settings with surface- or interface-informed baselines. Our framework combines two ideas. First, Progressive Consistency Regularization (PCR) compresses diffusion dynamics into reliable few-step inference through reconstruction-anchored consistency tuning. Second, Residual-Safe Quantization preserves high-fidelity residual streams and geometry-sensitive operations in BF16 while quantizing selected compute-intensive linear transformations. Our model achieves state-of-the-art docking accuracy under the matched interface-informed protocol, reports blind docking performance separately under the matched blind protocol, and generates five conformations for a representative 256-token complex in 0.17 seconds on a single NVIDIA H20 GPU, delivering a $>300\times$ speedup over AlphaFold3 under the benchmarked setting. Together, these results move molecular docking from an offline generative simulator toward a real-time structural primitive for agent-centered drug discovery.

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Provably Convergent Actor-Critic for MARL through Risk-aversion

Yizhou Zhang, Eric Mazumdar

展开摘要

Learning stationary policies in infinite-horizon general-sum Markov games (MGs) remains a fundamental open problem in Multi-Agent Reinforcement Learning (MARL). While stationary strategies are preferred for their practicality, computing stationary forms of classic game-theoretic equilibria is computationally intractable—a stark contrast to the comparative ease of solving single-agent RL or zero-sum games. To bridge this gap, we study Risk-averse Quantal response Equilibria (RQE), a solution concept rooted in behavioral game theory that incorporates risk aversion and bounded rationality. We demonstrate that RQE possesses strong regularity conditions that make it uniquely amenable to learning in MGs. We propose a novel single-timescale Actor-Critic algorithm characterized by a faster actor and a slower critic. Leveraging the regularity of RQE, we prove that this approach achieves global convergence with finite-sample guarantees. We empirically validate our algorithm in several environments to demonstrate superior convergence properties compared to risk-neutral baselines.

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Transforming Weather Data from Pixel to Latent Space

Sijie Zhao, Feng Liu, Xueliang Zhang, Hao Chen, Tao Han, Junchao Gong, Ran Tao, Pengfeng Xiao, Xinyu Gu, Lei Bai

展开摘要

The increasing impact of climate change and extreme weather events has spurred growing interest in deep learning for weather research. However, existing studies often rely on weather data in pixel space, which presents several challenges such as smooth outputs in model outputs, limited applicability to a single pressure-variable subset (PVS), and high data storage and computational costs. To address these challenges, we propose a novel Weather Latent Autoencoder (WLA) that transforms weather data from pixel space to latent space, enabling efficient data representation. By decoupling weather reconstruction from downstream tasks, WLA improves the accuracy and sharpness of weather task model results. The incorporated Pressure-Variable Unified Module transforms multiple PVS into a unified representation, enhancing the adaptability of the model in multiple weather scenarios. Furthermore, weather tasks can be performed in a low-storage latent space of WLA rather than a high-storage pixel space, thus significantly reducing data storage and computational costs. Through extensive experimentation, we demonstrate its superior compression and reconstruction performance, enabling the creation of the ERA5-Latent dataset with unified representations of multiple PVS from ERA5 data. The compressed full PVS in the ERA5-Latent dataset reduces the original 244.34 TB of data to 0.43 TB. The downstream task further demonstrates that task models can apply to multiple PVS with low data costs in latent space and achieve superior performance compared to models in pixel space.

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From Denoising to De-Channeling: Integrating Physical Channel Priors into Diffusion Models for Radio Signal Understanding

Yaoqi Liu, Jin Wang, Chunchen Wang, Hui Wang, Chuan Shi

展开摘要

In recent years, wireless signal recognition (WSR), which leverages artificial intelligence (AI) to identify properties of passively received radio signals, has garnered significant attention due to its broad applications, such as spectrum management. Existing WSR methods typically learn directly from received signals, which are distorted by physical wireless channel effects such as fading, and current denoising diffusion models lack de-channeling capabilities, which leads to performance degradation. Therefore, we propose PWC-Diff, a novel framework that integrates prior Physical Wireless Channels into the denoising Diffusion process. The framework employs a dedicated architecture named FusedFormer, which contains a fusion module and a self-attention module that jointly capture the temporal and spectral characteristics of the signals throughout the diffusion trajectory. By leveraging prior wireless channels, PWC-Diff learns to progressively “de-channel” the received signal and recover a representation closer to the transmitted signal. Extensive experiments on several datasets across three WSR tasks have achieved state-of-the-art (SOTA) performance, which demonstrates the rationality of our theory, and ablation experiments further illustrate the effectiveness of our proposed PWC-Diff. Code is available at https://github.com/BUPT-GAMMA/FoundWSR.

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Dynamics Reveals Structure: Challenging the Linear Propagation Assumption

Hoyeon Chang, Bálint Mucsányi, Seong Joon Oh

展开摘要

Neural networks adapt through first-order parameter updates, yet it remains unclear whether such updates preserve logical coherence. We investigate the geometric limits of the Linear Propagation Assumption (LPA), the premise that local updates coherently propagate to logical consequences. To formalize this, we adopt relation algebra and study three core operations on relations: negation flips truth values, converse swaps argument order, and composition chains relations. For negation and converse, we prove that guaranteeing direction-agnostic first-order propagation necessitates a tensor factorization separating entity-pair context from relation content. However, for composition, we identify a fundamental obstruction. We show that composition reduces to conjunction, and prove that any conjunction well-defined on linear features must be bilinear. Since bilinearity is incompatible with negation, this forces the feature map to collapse. These results suggest that failures in knowledge editing, the reversal curse, and multi-hop reasoning may stem from common structural limitations inherent to the LPA.

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Ratio-Variance Regularized Policy Optimization

Yu Luo, Shuo Han, Yihan Hu, Lei Lv, Huaping Liu, Fuchun Sun, Jianye Hao, Dong Li

展开摘要

Standard on-policy reinforcement learning relies on heuristic clipping to enforce trust regions, but this mechanism imposes a severe cost by indiscriminately truncating high-return yet high-divergence updates. We demonstrate that explicitly constraining the *policy ratio **variance*** provides a principled local approximation to trust-region constraints, eliminating the need for binary hard clipping. By acting as a distributional ''soft brake'', this approach preserves critical gradient signals from novel discoveries while naturally down-weighting and enabling the reuse of stale, off-policy data. We introduce **R$^2$VPO** (Ratio-Variance Regularized Policy Optimization), which implements this constraint via a primal–dual optimization framework. Extensive evaluations across $7$ LLM scales, spanning both fast and slow reasoning paradigms, and $10$ robotic control tasks demonstrate the generality of the proposed approach. R$^2$VPO achieves substantial performance gains on mathematical reasoning benchmarks, with particularly pronounced improvements on smaller models, while significantly improving sample efficiency. Furthermore, it consistently outperforms PPO baselines in continuous control domains, particularly in sparse-reward and dynamic environments. Together, these findings establish ratio-variance regularization as a principled foundation for stable and data-efficient policy optimization.

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