ICLR 2026 论文列表

Instruction Tuning (IT) has been proven to be an effective approach to unlock the powerful capabilities of large language models (LLMs). Recent studies indicate that excessive IT data can degrade LLMs performance, while carefully selecting a small subset of high-quality IT data can significantly enhance their capabilities. Therefore, identifying the most efficient subset data from the IT dataset to effectively develop either specific or general abilities in LLMs has become a critical challenge. To address this, we propose a novel and efficient framework called Nait. Nait evaluates the impact of IT data on LLMs performance by analyzing the similarity of neuron activation patterns between the IT dataset and the target domain capability. Specifically, Nait captures neuron activation patterns from in-domain datasets of target domain capabilities to construct reusable and transferable neuron activation features. It then evaluates and selects optimal samples based on the similarity between candidate samples and the expected activation features of the target capabilities. Experimental results show that training on the 10\% Alpaca-GPT4 IT data subset selected by Nait consistently outperforms methods that rely on external advanced models or uncertainty-based features across various tasks. Our findings also reveal the transferability of neuron activation features across different capabilities of LLMs. In particular, IT data with more logical reasoning and programmatic features possesses strong general transferability, enabling models to develop stronger capabilities across multiple tasks, while a stable core subset of data is sufficient to consistently activate fundamental model capabilities and universally improve performance across diverse tasks.

Boolean functions constitute a fundamental object of study in machine learning and, more broadly, in theoretical computer science. Among their various complexity measures, Fourier sparsity, defined as the number of nonzero Fourier coefficients in a Boolean function’s Fourier expansion, serves as a key indicator of structural simplicity. For over three decades, learning Boolean functions with sparse Fourier representations has been a central focus of computational learning theory. A notable achievement in this line of work is the development of learning algorithms whose complexity primarily depends on the Fourier sparsity parameter. However, these approaches generally assume prior knowledge of this parameter. In this work, we address this gap in the literature on learning Fourier-sparse Boolean functions. Specifically, we study the problem of Fourier sparsity testing: given query access to a Boolean function $f : \mathbb{F}_2^n \to \{-1, +1\}$, decide whether it is $s$-Fourier sparse or far (under Hamming distance) from every such function. Our contributions are twofold. On the algorithmic side, we design a new tester with query complexity $\widetilde{O}(s^4)$, independent of the ambient dimension. On the lower bound side, we prove that any tester requires at least $\Omega(s)$ queries. Both bounds improve upon the best known results of Gopalan et al.\ (SICOMP 2011), who presented a tester with query complexity $\widetilde{O}(s^{14})$ and a lower bound of $\Omega(\sqrt{s})$. For our upper bound, we introduce a refined notion of a sampler from the junta testing framework of Chakraborty et al.\ (ICALP 2011) and combine it with $\ell_1$-minimization-based compressed sensing techniques to construct our tester. In the process, we develop a novel method for sampling the leaves of parity decision trees associated with Fourier-sparse Boolean functions. The lower bound is obtained via a reduction from communication complexity, crucially leveraging structural properties of the Fourier coefficients of a specific class of cryptographically hard functions.

Hand motion plays a central role in human interaction, yet modeling realistic 4D hand motion (*i.e.*, 3D hand pose sequences over time) remains challenging. Research in this area is typically divided into two tasks: (1) Estimation approaches reconstruct precise motion from visual observations, but often fail under hand occlusion or absence; (2) Generation approaches focus on synthesizing hand poses by exploiting generative priors under multi-modal structured inputs and infilling motion from incomplete sequences. However, this separation not only limits the effective use of heterogeneous condition signals that frequently arise in practice, but also prevents knowledge transfer between the two tasks. We present **UniHand**, a unified diffusion-based framework that formulates both estimation and generation as conditional motion synthesis. UniHand integrates heterogeneous inputs by embedding structured signals into a shared latent space through a joint variational autoencoder, which aligns conditions such as MANO parameters and 2D skeletons. Visual observations are encoded with a frozen vision backbone, while a dedicated hand perceptron extracts hand-specific cues directly from image features, removing the need for complex detection and cropping pipelines. A latent diffusion model then synthesizes consistent motion sequences from these diverse conditions. Extensive experiments across multiple benchmarks demonstrate that UniHand delivers robust and accurate hand motion modeling, maintaining performance under severe occlusions and temporally incomplete inputs.

When compressing continuous data, some loss of information is inevitable, and this incurred a distortion when reconstruction the data. The Rate–Distortion (RD) function characterizes the minimum achievable rate for a code whose decoding permits a specified amount of distortion. We exploit the connection between rate-distortion theory and entropic optimal transport to propose a novel stochastic-control formulation for the former, and use a classic result dating back to Schrodinger to show that the tradeoff between rate and mean squared error distortion is equivalent to a tradeoff between control energy and the differential entropy of the terminal state, whose probability law defines the reconstruction distribution. For a special class of sources, we show that the optimal control law and the corresponding trajectory in the space of probability measures are obtained by solving a backward heat equation. In more general settings, our approach yields a numerical method that estimates the RD function using diffusion processes with a constant diffusion coefficient. We demonstrate the effectiveness of our method through several examples.

Self-supervised learning for inverse problems allows to train a reconstruction network from noise and/or incomplete data alone. These methods have the potential of enabling learning-based solutions when obtaining ground-truth references for training is expensive or even impossible. In this paper, we propose a new self-supervised learning strategy devised for the challenging setting where measurements are observed via a single incomplete observation model. We introduce a new definition of equivariance in the context of reconstruction networks, and show that the combination of self-supervised splitting losses and equivariant reconstruction networks results in unbiased estimates of the supervised loss. Through a series of experiments on image inpainting, accelerated magnetic resonance imaging, sparse-view computed tomography, and compressive sensing, we demonstrate that the proposed loss achieves state-of-the-art performance in settings with highly rank-deficient forward models.

The MCP standardizes how LLMs interact with external systems, forming the foundation for general agents. However, existing MCP benchmarks remain narrow in scope: they focus on read-heavy tasks or tasks with limited interaction depth, and fail to capture the complexity and realism of real-world workflows. To address this, we propose \texttt{MCPMark}, a benchmark designed to evaluate realistic and comprehensive MCP use, comprising $127$ high-quality tasks collaboratively created by human experts and AI agents. Specifically, each task starts from a curated initial state and incldes a programmatic script for automatic verification. Moreover, these tasks require richer and more varied interactions with the environment, involving diverse create, read, update, and delete (CRUD) operations. We conduct comprehensive evaluation of cutting-edge LLMs using a minimal agent framework that operates in a tool-calling loop. Empirical results show that the best-performing model, \texttt{gpt-5-medium}, reaches only $52.56$\% pass@1 and $33.86$\% pass^4, while other widely regarded strong models, including \texttt{claude-sonnet-4} and \texttt{o3}, fall below $30$\% pass@1 and $15$\% pass^4. On average, LLMs require $16.18$ execution turns and $17.38$ tool calls per task, substantially exceeding those in previous MCP benchmarks and demonstrating the stress-testing nature of \texttt{MCPMark}.

Language model post-training has enhanced instruction-following and performance on many downstream tasks, but also comes with an often-overlooked cost on tasks with many possible valid answers. We characterize three desiderata: in-context steerability, valid output space coverage, and distributional alignment, and document across three model families how post-training can reduce these properties. In particular, we disambiguate between two kinds of in-context learning: ICL for eliciting existing underlying knowledge or capabilities, and in-context steerability, where a model must use in-context information to override its priors and steer to a novel data generating distribution. To better evaluate and improve these desiderata, we introduce Spectrum Suite, a large-scale resource compiled from $>40$ data sources and spanning $>90$ tasks requiring models to steer to and match diverse distributions. We find that while instruction-tuning helps elicit underlying capabilities and models, it hurts a model’s ability to flexibly steer in-context. To mitigate these issues, we propose Spectrum Tuning, a post-training method using Spectrum Suite to improve steerability and distributional coverage. We find that Spectrum Tuning often improves over pretrained models and their instruction-tuned counterparts, enhancing steerability, spanning more of the out- put space, and improving distributional alignment on held-out datasets.

In reinforcement learning (RL), critics traditionally learn absolute state values, estimating how good a particular situation is in isolation. Adding any constant to $V(s)$ leaves action preferences unchanged. Thus only value differences are relevant for decision making. Motivated by this fact, we ask the question whether these differences can be learned directly. For this, we propose \emph{Relative Value Learning} (RV), a framework that considers antisymmetric value differences $\Delta(s_i, s_j) = V(s_i) - V(s_j)$. We define a new pairwise Bellman operator and prove it is a $\gamma$-contraction with a unique fixed point equal to the true value differences, derive well-posed $1$-step/$n$-step/$\lambda$-return targets and reconstruct generalized advantage estimation from pairwise differences to obtain an unbiased policy-gradient estimator (R-GAE). Besides rigorous theoretical contributions, we integrate RV with PPO and achieve competitive performance on the Atari benchmark (49 games, ALE) compared to standard PPO, indicating that relative value estimation is an effective alternative to absolute critics. Source code will be made available.

We propose a general and computationally efficient framework for achieving differential privacy (DP) on Hadamard manifolds, which are complete and simply connected Riemannian manifolds with non-positive curvature. Leveraging the Cartan-Hadamard theorem, we introduce Exponential-Wrapped Laplace and Gaussian mechanisms that achieve $\epsilon$-DP, $(\epsilon, \delta)$-DP, Gaussian DP (GDP), and Rényi DP (RDP) without relying on computationally intensive MCMC sampling. Our methods operate entirely within the intrinsic geometry of the manifold, ensuring both theoretical soundness and practical scalability. We derive utility bounds for privatized Fréchet means and demonstrate superior utility and runtime performances on both synthetic data and real-world data in the space of symmetric positive definite matrices (SPDM) equipped with three different metrics. To our knowledge, this work constitutes the first unified extension of multiple DP notions to general Hadamard manifolds with practical and scalable implementations.

Transformers have achieved great success across a wide range of applications, yet the theoretical foundations underlying their success remain largely unexplored. To demystify the strong capacities of transformers applied to versatile scenarios and tasks, we theoretically investigate utilizing transformers as students to learn from a class of teacher models. Specifically, the teacher models covered in our analysis include convolution layers with average pooling, graph convolution layers, and various classic statistical learning models, including a variant of sparse token selection models [Sanford et al., 2023, Wang et al., 2024] and group-sparse linear predictors [Zhang et al., 2025]. When learning from this class of teacher models, we prove that one-layer transformers with simplified "position-only'' attention can successfully recover all parameter blocks of the teacher models, thus achieving the optimal population loss. Building upon the efficient mimicry of trained transformers towards teacher models, we further demonstrate that they can generalize well to a broad class of out-of-distribution data under mild assumptions. The key in our analysis is to identify a fundamental bilinear structure shared by various learning tasks, which enables us to establish unified learning guarantees for these tasks when treating them as teachers for transformers.

Sparsely-activated Mixture-of-Experts (SMoE) models offer efficient pre-training and low latency but their large parameter counts create significant memory overhead, motivating research into expert compression. Contrary to recent findings favouring expert *merging* on discriminative benchmarks, we find that expert *pruning* is a superior strategy for generative tasks. We demonstrate that existing merging techniques introduce an irreducible error due to the loss of fine-grained routing control over experts. Leveraging this insight, we propose Router-weighted Expert Activation Pruning (REAP), a novel pruning criterion that considers both router gate-values and expert activation norms to minimize the reconstruction error bound. Across a diverse set of SMoE models ranging from 20B to 1T parameters, REAP consistently outperforms merging and other pruning methods on generative benchmarks, especially at 50% compression. Notably, our method achieves near-lossless compression on code generation tasks with Qwen3-Coder-480B and Kimi-K2, even after pruning 50% of experts.

RL with Verifiable Rewards (RLVR) has emerged as a promising paradigm for improving the reasoning abilities of large language models (LLMs). Current methods rely primarily on policy optimization frameworks like PPO and GRPO, which follow generalized policy iteration that alternates between evaluating the current policy's value and improving the policy based on evaluation. While effective, they often suffer from training instability and diversity collapse, requiring complex heuristic tricks and careful tuning. We observe that standard RLVR in math reasoning can be formalized as a specialized finite-horizon Markov Decision Process with deterministic state transitions, tree-structured dynamics, and binary terminal rewards. Though large in scale, the underlying structure is simpler than general-purpose control settings for which popular RL algorithms (e.g., PPO) were developed, suggesting that several sophisticated techniques in existing methods may be reduced or even omitted. Based on this insight, we prove a surprising result: the optimal action can be recovered from the Q-function of a fixed uniformly random policy, thereby bypassing the generalized policy iteration loop and its associated heuristics. We introduce \underline{\textbf{R}}andom P\underline{\textbf{o}}licy \underline{\textbf{V}}aluation for Div\underline{\textbf{e}}rse \underline{\textbf{R}}easoning (ROVER) to translate this principle into a practical and scalable algorithm for LLM math reasoning, a minimalist yet highly effective RL method that samples actions from a softmax over these uniform-policy Q-values. ROVER preserves diversity throughout training, allowing sustained exploration of multiple valid pathways. Across multiple base models and standard math reasoning benchmarks, ROVER demonstrates superior performance in both \textbf{quality} (\textbf{+8.2} on pass@1, \textbf{+16.8} on pass@256) and \textbf{diversity} (\textbf{+20.5\%}), despite its radical simplification compared to strong, complicated existing methods.

Reinforcement Learning (RL) has played a central role in the recent surge of LLMs' math abilities by enabling verification-driven training through binary verifier signals. In contrast, Supervised Learning (SL) is rarely considered for such verification-driven training, largely due to its heavy reliance on reference answers and inability to reflect on mistakes. In this work, we challenge the prevailing notion that self-improvement is exclusive to RL and propose Negative-aware Fine-Tuning (NFT) --- a supervised approach that enables LLMs to reflect on their failures and improve autonomously with no external teachers. In online training, instead of throwing away self-generated negative answers, NFT constructs an \textit{implicit} negative policy to model them. This implicit policy is parameterized with the same positive LLM we target to optimize on positive data, enabling direct policy optimization on all LLMs' generations. We conduct experiments on 7B and 32B models in math reasoning tasks. Results consistently show that through the additional leverage of negative feedback, NFT significantly improves over SL baselines like rejection fine-tuning, matching, or even surpassing leading RL algorithms like GRPO and DAPO. Furthermore, we demonstrate that NFT and GRPO are actually equivalent in strict-on-policy training, even though they have entirely different theoretical foundations. Our experiments and theoretical findings bridge the gap between SL and RL methods in binary-feedback learning systems.

Flowcharts are widely used to represent processes and relationships through intuitive visual representations. However, accurately interpreting these diagrams remains challenging due to their structural complexity and high visual diversity. Existing flowchart datasets often lack fine-grained control over key properties such as graph complexity and rendering style, limiting their utility for training and testing of multimodal large language models (MLLMs) on visual reasoning tasks. To address these limitations, we introduce FlowGen, a controllable synthesizer that generates flowcharts that have customizable structural features and supports multiple renderer backends. FlowGen enables fine-grained control over graph properties such as graph order and size, branched arrows, and nested subgraphs, facilitating systematic evaluation of MLLMs' capabilities. Extensive experiments on open-source and proprietary MLLMs show that training on FlowGen substantially improves flowchart parsing and question answering (QA), while also enhancing generalization to other public datasets. Furthermore, FlowGen provides challenging test datasets that expose consistent weaknesses in current MLLMs, particularly related to high structural complexity and varied rendering styles. Our code and data are publicly available at https://github.com/nju-websoft/FlowGen.

Variational Autoencoders (VAEs) are a powerful alternative to matrix factorization for recommendation. A common technique in VAE-based collaborative filtering (CF) consists in applying binary input masking to user interaction vectors, which improves performance but remains underexplored theoretically. In this work, we analyze how collaboration arises in VAE-based CF and show it is governed by \emph{latent proximity}: we derive a latent sharing radius that informs when an SGD update on one user strictly reduces the loss on another user, with influence decaying as the latent Wasserstein distance increases. We further study the induced geometry: with clean inputs, VAE‑based CF primarily exploits \emph{local} collaboration between input‑similar users and under‑utilizes \emph{global} collaboration between far‑but‑related users. We compare two mechanisms that encourage \emph{global} mixing and characterize their trade‑offs: \ding{172} $\beta$‑KL regularization directly tightens the information bottleneck, promoting posterior overlap but risking representational collapse if too large; \ding{173} input masking induces stochastic \emph{geometric} contractions and expansions, which can bring distant users onto the same latent neighborhood but also introduce neighborhood drift. To preserve user identity while enabling global consistency, we propose an anchor regularizer that aligns user posteriors with item embeddings, stabilizing users under masking and facilitating signal sharing across related items. Our analyses are validated on the Netflix, MovieLens-20M, and Million Song datasets. We also successfully deployed our proposed algorithm on an Amazon streaming platform following a successful online experiment.

Decision-focused learning (DFL) integrates predictive modeling and optimization by training predictors to optimize the downstream decision target rather than merely minimizing prediction error. To date, existing DFL methods typically rely on deterministic point predictions, which are often insufficient to capture the intrinsic stochasticity of real-world environments. To address this challenge, we propose the first diffusion-based DFL approach, which trains a diffusion model to represent the distribution of uncertain parameters and optimizes the decision by solving a stochastic optimization with samples drawn from the diffusion model. Our contributions are twofold. First, we formulate diffusion DFL using the reparameterization trick, enabling end-to-end training through diffusion. While effective, it is memory and compute-intensive due to the need to differentiate through the diffusion sampling process. Second, we propose a lightweight score function estimator that uses only several forward diffusion passes and avoids backpropagation through the sampling. This follows from our results that backpropagating through stochastic optimization can be approximated by a weighted score function formulation. We empirically show that our diffusion DFL approach consistently outperforms strong baselines in decision quality. The source code for all experiments is available [here](https://anonymous.4open.science/r/e2e-model-444D/README.md).

Long chain-of-thought (CoT) is an essential ingredient in effective usage of modern large language models, but our understanding of the reasoning strategies underlying these capabilities remains limited. While some prior works have attempted to categorize CoTs using predefined strategy types, such approaches are constrained by human intuition and fail to capture the full diversity of model behaviors. In this work, we introduce the CoT Encyclopedia, a bottom-up framework for analyzing and steering model reasoning. Our method automatically extracts diverse reasoning criteria from model-generated CoTs, embeds them into a semantic space, clusters them into representative categories, and derives contrastive rubrics to interpret reasoning behavior. Human evaluations show that this framework produces more interpretable and comprehensive analyses than existing methods. Moreover, we show that this understanding translates into measurable improvements on both problem-solving and safety benchmarks. We can predict which strategy a model is likely to use and guide it toward more effective alternatives. Finally, we show that training data format (e.g., free-form vs. multiple-choice) impacts reasoning far more than data domain, highlighting the importance of format-aware model design. In short, the CoT Encyclopedia turns reasoning from a black box into a controllable asset, enabling LLMs that think more clearly, perform more reliably, and act more safely.

Graph structured data is commonly used to represent complex relationships such as transactions between accounts, communications between devices, and dependencies among machines or processes. Correspondingly, graph anomaly detection (GAD) plays a critical role in identifying anomalies across various domains, including finance, cybersecurity, manufacturing, etc. Facing the large-volume and multi-domain graph data, recent efforts aim to develop foundational generalist models capable of detecting anomalies in unseen graphs without retraining. To the best of our knowledge, the different feature semantics and dimensions of cross-domain graph structured data heavily hinders the development of graph foundation model, and leaves the further in-depth continual learning and inference capabilities in the evolving setting a quite nascent problem. To address these above challenges, we propose OWLEYE, a novel zero-shot GAD framework that learns transferable patterns of normal behavior from multiple graphs. Systematically, OWLEYE first introduces a cross-domain feature alignment module to harmonize feature distributions, which preserves domain-specific semantics during aligning more than the simple but widely-used Principle Component Analysis. Second, with aligned features, to enable method with continuous and scaling-up learning and inference capabilities, OWLEYE designs the multi-domain pattern dictionary learning to encode shared structural and attribute-based patterns. Third, for achieving the in-context learning ability, OWLEYE presents a truncated attention-based reconstruction module to robustly detect anomalies without requiring labeled data for unseen graph structured data. Extensive experiments on real-world datasets demonstrate that OWLEYE achieves superior performance and generalizability compared to state-of-the-art baselines, establishing a strong foundation for scalable and label-efficient anomaly detection.

The widespread deployment of large language models (LLMs) across linguistic communities necessitates reliable multilingual safety alignment. However, recent efforts to extend alignment to other languages often require substantial resources, either through large-scale, high-quality supervision in the target language or through pairwise alignment with high-resource languages, which limits scalability. In this work, we propose a resource-efficient method for improving multilingual safety alignment. We introduce a plug-and-play Multi-Lingual Consistency (MLC) loss that can be integrated into existing monolingual alignment pipelines. By improving collinearity between multilingual representation vectors, our method encourages directional consistency at the multilingual semantic level in a single update. This allows simultaneous alignment across multiple languages using only multilingual prompt variants without requiring additional response-level supervision in low-resource languages. We validate the proposed method across different model architectures and alignment paradigms, and demonstrate its effectiveness in enhancing multilingual safety with limited impact on general model utility. Further evaluation across languages and tasks indicates improved cross-lingual generalization, suggesting the proposed approach as a practical solution for multilingual consistency alignment under limited supervision.