ICLR 2026 论文列表

A fine-grained data recipe is crucial for pre-training large language models (LLMs), as it can significantly enhance training efficiency and model performance. One important ingredient in the recipe is to select samples based on scores produced by defined rules, LLM judgment, or statistical information in embeddings, which can be roughly categorized into quality and diversity metrics. Due to the high computational cost when applied to trillion-scale token pre-training datasets such as FineWeb and DCLM, these two or more types of metrics are rarely considered jointly in a single selection process. However, in our empirical study, selecting samples based on quality metrics exhibit severe diminishing returns during long-term pre-training, while selecting on diversity metrics removes too many valuable high-quality samples, both of which limit pre-trained LLMs' capabilities. Therefore, we introduce DATAMASK, a novel and efficient joint learning framework designed for large-scale pre-training data selection that can simultaneously optimize multiple types of metrics in a unified process, with this study focusing specifically on quality and diversity metrics. DATAMASK approaches the selection process as a mask learning problem, involving iterative sampling of data masks, computation of policy gradients based on predefined objectives with sampled masks, and updating of mask sampling logits. Through policy gradient-based optimization and various acceleration enhancements, it significantly reduces selection time by 98.9% compared to greedy algorithm, enabling our study to explore joint learning within trillion-scale tokens. With DATAMASK, we select a subset of about 10% from the 15 trillion-token FineWeb dataset, termed FineWeb-Mask. Evaluated across 12 diverse tasks, this high-quality and diverse subset achieves significant improvements of 3.2% on a 1.5B dense model and 1.9% on a 7B MoE model after pre-training with hundreds of billions of tokens, demonstrating its effectiveness.

Survival analysis plays a critical role in modeling time-to-event outcomes across various domains. Although recent advances have focused on improving _predictive accuracy_ and _concordance_, fine-grained _calibration_ remains comparatively underexplored. In this paper, we propose a survival modeling framework based on the Individually Calibrated Asymmetric Laplace Distribution (ICALD), which unifies _parametric_ and _nonparametric_ approaches based on the ALD. We begin by revisiting the probabilistic foundation of the widely used _pinball_ loss in _quantile regression_ and its reparameterization as the _asymmetry form_ of the ALD. This reparameterization enables a principled shift to _parametric_ modeling while preserving the flexibility of _nonparametric_ methods. Furthermore, we show theoretically that ICALD, with the _quantile regression_ loss is probably approximately individually calibrated. Then we design an extended ICALD framework that supports both _pre-calibration_ and _post-calibration_ strategies. Extensive experiments on 14 synthetic and 7 real-world datasets demonstrate that our method achieves competitive performance in terms of _predictive accuracy_, _concordance_, and _calibration_, while outperforming 12 existing baselines including recent _pre-calibration_ and _post-calibration_ methods.

Understanding 3D spatial relationships remains a major limitation of current Vision-Language Models (VLMs). Prior work has addressed this issue by creating spatial question-answering (QA) datasets based on single images or indoor videos. However, real-world embodied AI agents—such as robots and self-driving cars—typically rely on ego-centric, multi-view observations. To this end, we introduce Ego3D-Bench, a new benchmark designed to evaluate the spatial reasoning abilities of VLMs using ego-centric, multi-view outdoor data. Ego3D-Bench comprises over 8,600 QA pairs, created with significant involvement from human annotators to ensure quality and diversity. We benchmark 16 SOTA VLMs, including GPT-4o, Gemini1.5-Pro, InternVL3, and Qwen2.5-VL. Our results reveal a notable performance gap between human level scores and VLM performance, highlighting that current VLMs still fall short of human level spatial understanding (SU). To bridge this gap, we propose Ego3D-VLM, a post-training framework that enhances 3D spatial reasoning of VLMs. Ego3D-VLM generates cognitive map based on estimated global 3D coordinates, resulting in 12% and 56% average improvements on multi-choice QA and absolute distance estimation, respectively. Ego3D-VLM can be integrated with any existing VLM. Together, Ego3D-Bench and Ego3D-VLM offer valuable tools for advancing toward human level SU in real-world, multi-view environments. Code is available in the supplementary materials.

Autoregressive video diffusion models are capable of extremely long rollouts that are stable and consistent with history, but they are unable to guide the current generation with conditioning from the future. In camera-guided video generation with a predefined camera trajectory, this limitation leads to collisions with the generated scene, after which autoregression quickly collapses. To address this, we propose Generative View Stitching (GVS), which samples the entire sequence in parallel such that the generated scene is faithful to every part of the predefined camera trajectory. Our main contribution is a sampling algorithm that extends prior work on diffusion stitching for robot planning to video generation. While such stitching methods usually require a specially trained model, GVS is compatible with any off-the-shelf video model trained with Diffusion Forcing, a prevalent sequence diffusion framework that we show already provides the affordances necessary for stitching. We then introduce OmniGuidance, a technique that enhances the temporal consistency in stitching by conditioning on both the past and future, and that enables our proposed loop-closing mechanism for delivering long-range coherence. Overall, GVS achieves camera-guided video generation that is stable, collision-free, frame-to-frame consistent, and closes loops for a variety of predefined camera paths, including Oscar Reutersvärd’s Impossible Staircase.

This paper explores the geometric characteristics of loss landscapes to enhance domain generalization (DG) in deep neural networks. Existing methods mainly leverage the local flatness around minima for improved generalization. However, recent theoretical studies indicate that flatness does not universally guarantee better generalization. Instead, this paper investigates a global geometrical property for domain generalization, i.e., mode connectivity, the phenomenon where distinct local minima are connected by continuous low-loss pathways. Different from flatness, mode connectivity enables transitions from poor to superior generalization models without leaving low-loss regions. To navigate these connected pathways effectively, this paper proposes a novel Billiard Optimization Algorithm (BOA), which discovers superior models by mimicking billiard dynamics. During this process, BOA operates within a low-dimensional Krylov subspace, aiming to alleviate the curse of dimensionality caused by the high-dimensional parameter space of deep models. Furthermore, this paper reveals that oracle test gradients strongly align with the Krylov subspace constructed from training gradients across diverse datasets and architectures. This alignment offers a powerful tool to bridge training and test domains, enabling the efficient discovery of superior models with limited training domains. Experiments on DomainBed demonstrate that BOA consistently outperforms existing sharpness-aware and DG methods across diverse datasets and architectures. Impressively, BOA even surpasses the sharpness-aware minimization by 3.6\% on VLCS when using a ViT-B/16 backbone.

In high-stakes domains like healthcare, users often expect that sharing personal information with machine learning systems will yield tangible benefits, such as more accurate diagnoses and clearer explanations of contributing factors. However, the validity of this assumption remains largely unexplored. We propose a unified framework to fairly quantify if personalizing a model improves both prediction and explanation for every group who provide personal data. We show that its impacts on prediction and explanation can diverge: a model may become more or less explainable even when prediction is unchanged. For practical settings, we study a standard hypothesis test for detecting personalization effects on demographic groups. We derive a finite-sample lower bound on its probability of error as a function of group sizes, number of personal attributes, and desired benefit from personalization. This provides actionable insights, such as which dataset characteristics are necessary to test an effect, or the maximum effect that can be tested given a dataset. We apply our framework to real-world tabular datasets using feature-attribution methods, uncovering scenarios where effects are fundamentally untestable due to the dataset statistics. Our results highlight the need for joint evaluation of prediction and explanation in personalized models and the importance of designing models and datasets with sufficient information for such evaluation.

Lightweight 3D medical image segmentation remains constrained by a fundamental "efficiency / robustness conflict", particularly when processing complex anatomical structures and heterogeneous modalities. In this paper, we study how to redesign the framework based on the characteristics of high-dimensional 3D images, and explore data synergy to overcome the fragile representation of lightweight methods. Our approach, VeloxSeg, begins with a deployable and extensible dual-stream CNN-Transformer architecture composed of Paired Window Attention (PWA) and Johnson-Lindenstrauss lemma-guided convolution (JLC). For each 3D image, we invoke a "glance-and-focus" principle, where PWA rapidly retrieves multi-scale information, and JLC ensures robust local feature extraction with minimal parameters, significantly enhancing the model's ability to operate with low computational budget. Followed by an extension of the dual-stream architecture that incorporates modal interaction into the multi-scale image-retrieval process, VeloxSeg efficiently models heterogeneous modalities. Finally, Spatially Decoupled Knowledge Transfer (SDKT) via Gram matrices injects the texture prior extracted by a self-supervised network into the segmentation network, yielding stronger representations than baselines at no extra inference cost. Experimental results on multimodal benchmarks show that VeloxSeg achieves a 26\% Dice improvement, alongside increasing GPU throughput by 11x, CPU by 48x, and reducing training peak GPU memory usage by 1/20, inference by 1/24.

Large Vision Language Models (LVLMs) possess extensive text knowledge but struggles to utilize this knowledge for fine-grained image recognition, often failing to differentiate between visually similar categories. Existing fine-tuning methods using Reinforcement Learning (RL) with exact-match reward signals are often brittle, encourage memorization of training categories, and fail to elicit differential reasoning needed for generalization to unseen classes. To address this, we propose $\textbf{DiVE-k}$, $\textbf{Di}$fferential $\textbf{V}$isual r$\textbf{E}$asoning using top-$\textbf{k}$ generations, framework that leverages model's own top-k predictions as a training signal. For each training image, DiVE-k creates a multiple-choice question from the model's top-k outputs and uses RL to train the model to select the correct answer. This approach requires the model to perform fine-grained differential reasoning among plausible options and provides a simple, verifiable reward signal that mitigates memorization and improves generalization. Experiments on five standard fine-grained datasets show that our method significantly outperforms existing approaches. In the standard base-to-novel generalization setting, DiVE-k surpasses the QWEN2.5-VL-7B and ViRFT by 10.04% and 6.16% on the Harmonic Mean metric, respectively. Further experiments show similar gains in mixed-domain and few-shot scenarios.

Classical intuitions cast minimizing reverse KL as "mode seeking" and forward KL as "mass covering". In KL-regularized reinforcement learning, however, the regularizer determines _both_ the target distribution's shape _and_ the divergence being implicitly minimized, making its role more nuanced than simply inducing generic mode-seeking or mass-covering behaviour. Specifically, the target distribution is defined jointly by the reward function, the reference model, the type of regularizer, and the regularization strength. We show that under common settings—such as low regularization strength and equal verifiable rewards—both forward and reverse KL regularization tend to specify target distributions whose mass concentrates on a single high-reward region. Thus, the objective itself _by construction_ induces diversity collapse, regardless of the policy optimization algorithm used. Building on this perspective, we introduce a simple and scalable modification that rescales rewards to induce target distributions assigning substantial probability across _all_ high-reward regions. This yields a principled objective that maintains high solution quality while achieving broad reward-mode coverage. Empirically, this approach improves post-training diversity and performance for Large Language Models and Chemical Language Models, and is effective with either forward or reverse KL regularization, while using either naively fails.

Diffusion models generate data by removing noise gradually, which corresponds to the time-reversal of a noising process. However, access to only the denoising kernels is often insufficient. In many applications, we need the knowledge of the marginal densities along the generation trajectory, which enables tasks such as inference-time control. To address this gap, in this paper, we introduce the Radon-Nikodym Estimator (RNE). Based on the concept of the density ratio between path distributions, it reveals a fundamental connection between marginal densities and transition kernels, providing a flexible plug-and-play framework that unifies (1) diffusion density estimation, (2) inference-time control, and (3) energy-based diffusion training under a single perspective. Experiments demonstrated that RNE delivers strong results in inference-time control applications, such as annealing and model composition, with promising inference-time scaling performance, and achieves simple yet efficient regularisation for training energy-based diffusion models. Additionally, our proposed RNE is modality-agnostic and applicable not only to continuous diffusion models but also to their discrete diffusion counterparts.

Large Language Models (LLMs) have recently demonstrated strong potential in generating ‘believable human-like’ behavior in web environments. Prior work has explored augmenting training data with LLM-synthesized rationales and applying supervised fine-tuning (SFT) to enhance reasoning ability, which in turn can improve downstream action prediction. However, the performance of such approaches remains inherently bounded by the reasoning capabilities of the model used to generate the rationales. In this paper, we introduce Shop-R1, a novel reinforcement learning (RL) framework aimed at enhancing the reasoning ability of LLMs for simulation of real human behavior in online shopping environments. Specifically, Shop-R1 decomposes the human behavior simulation task into two stages: rationale generation and action prediction, each guided by distinct reward signals. For rationale generation, we leverage internal model signals (e.g., logit distributions) to guide the reasoning process in a self-supervised manner. For action prediction, we propose a hierarchical reward structure with difficulty-aware scaling to prevent reward hacking and enable fine-grained reward assignment. This design evaluates both high-level action types and the correctness of fine-grained sub-action details (attributes and values), rewarding outputs proportionally to their difficulty. Experimental results show that our method achieves a relative improvement of over 65% compared to the baseline. The project page is available at https://damon-demon.github.io/shop-r1.html.

The rise of AI has fueled growing concerns about ``hype'' in machine learning papers, yet a reliable way to quantify rhetorical style independently of substantive content has remained elusive. Because strong empirical results can justify stronger claims, it is often unclear whether bold language reflects genuine evidence or merely rhetorical style. We introduce a counterfactual, LLM-based framework to disentangle rhetorical style from substantive content: multiple LLM rhetorical personas generate counterfactual writings from the same substantive content, an LLM judge compares them through pairwise evaluations, and the outcomes are aggregated using a Bradley--Terry model. Applying this method to 8,485 ICLR submissions sampled from 2017 to 2025, we generate more than 250,000 counterfactual writings and provide a large-scale quantification of rhetorical style in ML papers. Visionary framing significantly predicts downstream attention, including citations and media coverage, even after controlling for peer-review evaluations. We also observe a sharp rise in rhetorical strength after 2023, and provide evidence showing that this increase is strongly correlated with the adoption of LLM writing assistance. The reliability of our framework is validated by its robustness to the choice of personas and the high correlation between LLM judgments and human annotations. Our work demonstrates that LLMs can serve as instruments for improving how ML research is evaluated.

3D few-shot class-incremental learning (3D FSCIL) requires effectively integrating novel classes from limited samples while preserving base-class knowledge, without succumbing to catastrophic forgetting the learned knowledge or overfitting the novel ones. Current 3D FSCIL approaches predominantly focus on fine-tuning feature representations yet retain static decision boundaries. This leads to a critical trade-off: excessive adaptation to new samples tends to erase previously learned knowledge, while insufficient adaptation hinders novel-class recognition. We argue that the key to effective incremental learning lies not only in feature enhancement but also in adaptive decision-making. To this end, we introduce **Point-UQ**, an incremental training-free paradigm for 3D **point** clouds based on **u**ncertainty **q**uantification, which shifts the focus from feature tuning to dynamic decision optimization. Point-UQ comprises two co-designed modules: *Attention-driven Adaptive Enhancement (AAE)* and *Uncertainty-quantification Decision Decoupling (UDD)*. The former module fuses multi-scale features into calibrated representations, where prediction entropy serves as a reliable measure of per-sample epistemic uncertainty while preserving original feature semantics. Building on AAE-derived calibrated entropy, the UDD module dynamically arbitrates between semantic classifiers and geometric prototypes—enabling robust base-class knowledge retention and accurate novel-class recognition in 3D FSCIL without retraining. Extensive experiments on ModelNet, ShapeNet, ScanObjectNN, and CO3D demonstrate that our approach outperforms state-of-the-art methods by 4% in average accuracy, setting a new standard for robust 3D incremental learning.

Standard Convolutional Neural Networks are notoriously sensitive to photometric variations, a critical flaw that data augmentation only partially mitigates without offering formal guarantees. We introduce the *Scale-Equivariant Shift-Invariant* (*SEqSI*) model, a novel architecture that achieves intensity scale equivariance and intensity shift invariance by design, enabling full invariance to global intensity affine transformations with appropriate post-processing. By strategically prepending a single shift-invariant layer to a scale-equivariant backbone, *SEqSI* provides these formal guarantees while remaining fully compatible with common components like ReLU. We benchmark *SEqSI* against *Standard*, *Scale-Equivariant* (*SEq*), and *Affine-Equivariant* (*AffEq*) models on 2D and 3D image-classification and object-localization tasks. Our experiments demonstrate that *SEqSI* architectural properties provide certified robustness to affine intensity transformations and enhances generalization across non-affine corruptions and domain shifts in challenging real-world applications like biological image analysis. This work establishes *SEqSI* as a practical and principled approach for building photometrically robust models without major trade-offs.

Traffic systems are inherently multi-scale: microscopic vehicle interactions and macroscopic flow co-evolve nonlinearly. Microscopic models capture local interactions but miss flow evolution; macroscopic models enforce aggregated consistency yet overlook stochastic vehicle-level dynamics. We propose Micro–Macro Coupled Koopman Modeling (MMCKM), which lifts the coupled dynamics to a high-dimensional linear observation space for a unified linear-operator representation. Unlike grid-based discretizations, MMCKM adopts a vehicle-centric dynamic graph that preserves microscopic perturbations while respecting macroscopic conservation laws by discretizing PDEs onto this graph. At the micro scale, scenario-adaptive Koopman evolvers selected by an Intent Discriminator are designed to model vehicle dynamics. A Koopman control module explicitly formulate how flow state influences individual vehicles, yielding bidirectional couplings. To our knowledge, this is the first work to jointly model vehicle trajectories and traffic flow density using a unified Koopman framework without requiring historical trajectories. The proposed MMCKM is validated for trajectory prediction on NGSIM and HighD. While MMCKM uses only real-time measurement, it achieves comparable or even higher accuracy than history-dependent baselines. We further analyze the effect of the operator interval and provide ablations to show the improvement by intent inference, macro-to-micro control, and diffusion. Code and implementation details are included to facilitate reproducibility.

The Tsetlin Machine (TM) is an innovative machine learning algorithm grounded in propositional logic, achieving state-of-the-art performance across a variety of pattern recognition tasks. Prior theoretical work has established convergence results for the 1-bit operator under both noisy and noise-free conditions, and for the 2-bit XOR operator under noise-free conditions. This paper first extends the analysis to the 2-bit AND and OR operators. We show that the TM converges almost surely to the correct 2-bit AND and OR operators under noise-free training, and we identify a distinctive property of the 2-bit OR case, where a single clause can jointly represent two sub-patterns, in contrast to the XOR operator. We further investigate noisy training scenarios, demonstrating that mislabelled samples prevent exact convergence but still permit efficient learning, whereas irrelevant variables do not impede almost-sure convergence. Building on the 2-bit analysis, we then generalize the results to the $k$-bit setting ($k>2$), providing a unified treatment applicable to general scenarios. Together, these findings provide a robust and comprehensive theoretical foundation for analysing TM convergence.

We introduce MCP-Bench, a benchmark for evaluating large language models (LLMs) on realistic, multi-step tasks that demand tool use, cross-tool coordination, precise parameter control, and planning/reasoning for solving tasks. Built on the Model Context Protocol (MCP), MCP-Bench connects LLMs to 28 representative live MCP servers spanning 250 tools across domains such as finance, traveling, scientific computing, and academic search. Unlike prior API-based benchmarks, each MCP server provides a set of complementary tools designed to work together, enabling the construction of authentic, multi-step tasks with rich input–output coupling. Also, tasks in MCP-Bench test agents’ ability to retrieve relevant tools from fuzzy instructions without explicit tool names, plan multi-hop execution trajectories for complex objectives, ground responses in intermediate tool outputs, and orchestrate cross-domain workflows—capabilities not adequately evaluated by existing benchmarks that rely on explicit tool specifications, shallow few-step workflows, and isolated domain operations. We propose a multi-faceted evaluation framework covering tool-level schema understanding and usage, trajectorylevel planning and task completion. Experiments on 20 advanced LLMs reveal persistent challenges in MCP-Bench.

This paper introduces *quasi-Monte Carlo latent variable models* (QLVMs): a class of deep generative models that are specialized for finding extremely low-dimensional and interpretable embeddings of high-dimensional datasets. Unlike standard approaches, which rely on a learned encoder and variational lower bounds, QLVMs directly approximate the marginal likelihood by randomized quasi-Monte Carlo integration. While this brute force approach has drawbacks in higher-dimensional spaces, we find that it excels in fitting one, two, and three dimensional deep latent variable models. Empirical results on a range of datasets show that QLVMs consistently outperform conventional variational autoencoders (VAEs) and importance weighted autoencoders (IWAEs) with matched latent dimensionality. The resulting embeddings enable transparent visualization and *post hoc* analyses such as nonparametric density estimation, clustering, and geodesic path computation, which are nontrivial to validate in higher-dimensional spaces. While our approach is compute-intensive and struggles to generate fine-scale details in complex datasets, it offers a compelling solution for applications prioritizing interpretability and latent space analysis.

Neural Architecture Search (NAS), particularly gradient-based techniques, has proven highly effective in automating the design of neural networks. Recent work has extended NAS to hardware-aware settings, aiming to discover architectures that are both accurate and computationally efficient. Many existing methods integrate hardware metrics into the optimization objective as regularization terms, which introduces differentiability requirements and hyperparameter tuning challenges. This can either result in overly penalizing resource-intensive architectures or architectures failing to meet the hardware constraints of the target device. To address these challenges, we propose ConNAS, a novel gradient-based NAS framework that enforces hardware constraints directly through gradient modification. This approach eliminates the need for differentiable hardware metrics and regularization weights. The novelty in ConNAS lies in modifying gradients with respect to architectural choices, steering the search away from infeasible architectures while ensuring constraint satisfaction. Evaluations on the NATS-Bench benchmark demonstrate that ConNAS consistently discovers architectures that meet the imposed hardware constraints while achieving performance within just 0.14% of the optimal feasible architecture. Additionally, in a practical deployment scenario, ConNAS outperforms handcrafted architectures by up to 1.55% in accuracy under tight hardware budgets.