ICML 2026 论文列表

International Conference on Machine Learning

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6,341篇论文

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Real-World Unsupervised Models Generalize to Predict Brain Responses to Out-of-Distribution Stimuli

Chenggang Chen, Zhiyu Yang, Xiaoqin Wang

展开摘要

Deep neural networks currently provide the leading quantitative models of neural responses in sensory systems. However, these networks remain implausible as models of sensory development, largely because they rely on supervised training with label efficiency far exceeding that of biological learning. Furthermore, these models are typically trained on manually curated datasets that lack the statistical properties of the natural environments to which the brain is exposed. Here, we demonstrate that models trained with unsupervised objectives on real-world data significantly outperform supervised models in predicting brain responses across both human auditory and visual cortex. We show that this performance advantage is not driven by network architecture or dataset size, but rather by the data distribution. Crucially, we find that unsupervised models trained on real-world data exhibit remarkable out-of-distribution generalization: a model trained exclusively on Mandarin speech accurately predicts English-driven brain responses, and a model trained on infant head-cam footage predicts adult visual responses to curated object images. Together, our results illustrate how deep neural networks can be used to reveal the real-world statistics that shape neural representations in the brain.

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VGGT-Motion: Motion-Aware Calibration-Free Monocular SLAM for Long-Range Consistency

Zhuang Xiong, Chen Zhang, Qingshan Xu, Wenbing Tao

展开摘要

Despite recent progress in calibration-free monocular SLAM via 3D vision foundation models, scale drift remains severe on long sequences. Motion-agnostic partitioning breaks contextual coherence and causes zero-motion drift, while conventional geometric alignment is computationally expensive. To address these issues, we propose VGGT-Motion, a calibration-free SLAM system for efficient and robust global consistency over kilometer-scale trajectories. Specifically, we first propose a motion-aware submap construction mechanism that uses optical flow to guide adaptive partitioning, prune static redundancy, and encapsulate turns for stable local geometry. We then design an anchor-driven direct Sim(3) registration strategy. By exploiting context-balanced anchors, it achieves search-free, pixel-wise dense alignment and efficient loop closure without costly feature matching. Finally, a lightweight submap-level pose graph optimization enforces global consistency with linear complexity, enabling scalable long-range operation. Experiments show that VGGT-Motion markedly improves trajectory accuracy and efficiency, achieving state-of-the-art performance in zero-shot, long-range calibration-free monocular SLAM.

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Emergent Analogical Reasoning in Transformers

Gouki Minegishi, Jingyuan Feng, Hiroki Furuta, Takeshi Kojima, Yusuke Iwasawa, Yutaka Matsuo

展开摘要

Analogy is a central faculty of human intelligence, enabling abstract patterns discovered in one domain to be applied to another. However, the mechanisms underlying analogical reasoning in Transformers remain poorly understood. In this work, inspired by the notion of functors in category theory, we formalize analogical reasoning as the inference of correspondences between entities across categories. Based on this formulation, we introduce synthetic tasks that evaluate the emergence of analogical reasoning under controlled settings. We find that the emergence of analogical reasoning is highly sensitive to data characteristics, optimization choices, and model scale. Through mechanistic analysis, we show that analogical reasoning in Transformers decomposes into two key components: (1) geometric alignment of relational structure in the embedding space, and (2) the application of a functor within the Transformer. These mechanisms enable models to transfer relational structure from one category to another, realizing analogy. Finally, we quantify these effects and find that the same trends are observed in pretrained LLMs. In doing so, we move analogy from an abstract cognitive notion to a concrete, mechanistically grounded phenomenon in modern neural networks.

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When Attributes Disagree: Gradient Conflict in Image Aesthetic Assessment

Ye Wang, Maocai Dai, Jiang Xie, Xiuli Bi, Fei Tao, Xiao Li, Hong Yu

展开摘要

Image Aesthetic Assessment (IAA) predicts an image’s overall aesthetic score, yet aesthetic is influenced by multiple attributes whose relative importance varies with image content and usage scenarios. Under end-to-end training with only overall-score supervision, attribute signals are blended, which can cause gradient conflict across samples dominated by different attributes, resulting in gradient cancellation and persistent systematic bias. To address these issues, we propose AGREE (Attribute-guided Gradient Routing for Establishing Agreement), which learns attribute-specific subspaces and performs gradient routing based on sample-wise attribute sensitivity estimated via perturbation analysis. AGREE further reduces feature coupling across attributes with semantic anchors and improves robustness via error-aware reweighting. Experiments on AVA, LAPIS, AADB, TAD66K, and PARA show consistent improvements over diverse IAA baseline models, and AGREE is plug-and-play for existing end-to-end IAA methods without modifying their original architectures. To our knowledge, this work is among the early efforts in IAA to systematically study gradient conflict and provide an effective solution. The code is available at https://dahat364.github.io/AGREE/.

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Teaching Models to Teach Themselves: Reasoning at the Edge of Learnability

Shobhita Sundaram, John Quan, Ariel Kwiatkowski, Kartik Ahuja, Yann Ollivier, Julia Kempe

展开摘要

RL methods for scaling large reasoning models stall on datasets with low initial success rates, and thus little training signal. We investigate a fundamental question:Can a pretrained LLM leverage latent knowledge to generate an automated curriculum for problems it cannot solve? We explore this with SOAR: An asymmetric self-play framework that uses meta-RL to surface these pedagogical signals. A teacher model proposes synthetic problems for a student model, and is rewarded with its improvement on a subset of hard problems, thus grounding the curriculum in real student progress rather than intrinsic proxy rewards. Our study on the hardest subsets of math benchmarks (0/128 success) reveals three core findings. First, it is possible to realize bilevel meta-RL that unlocks learning under sparse, binary rewards by sharpening a latent capacity of pretrained models to generate useful problems. Second, grounded rewards outperform intrinsic learnability rewards used in prior LLM self-play, reliably avoiding typical instability and diversity collapse modes. Third, the structure and well-posedness of questions are more critical for learning progress than solution correctness. Our results suggest that the ability to generate useful stepping stones does not require the preexisting ability to solve the hard problems, paving a principled path to escape reasoning plateaus without additional curated data.

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Which Algorithms Can Graph Neural Networks Learn?

Solveig Wittig, Antonis Vasileiou, Robert R Nerem, Timo Stoll, Floris Geerts, Yusu Wang, Christopher Morris

展开摘要

In recent years, there has been growing interest in understanding neural architectures' ability to learn to execute discrete algorithms, a line of work often referred to as neural algorithmic reasoning. The goal is to integrate algorithmic reasoning capabilities into larger neural pipelines. Many such architectures are based on (message-passing) graph neural networks (MPNNs), owing to their permutation equivariance and ability to deal with sparsity and variable-sized inputs. However, much existing work is either largely empirical and lacks formal guarantees or it focuses solely on expressivity, leaving open the question of when and how such architectures generalize beyond a finite training set. In this work, we propose a general theoretical framework that characterizes sufficient conditions under which MPNNs can learn an algorithm from a training set of small instances and provably approximate its behavior on inputs of arbitrary size with worst-case guarantees. Our framework applies to a broad class of algorithms, including single-source shortest paths, minimum spanning trees, and general dynamic programming problems, such as the $0$-$1$ knapsack problem. In addition, we establish impossibility results for a wide range of algorithmic tasks, showing that standard MPNNs cannot learn them and derive more expressive MPNN-like architectures that overcome these limitations. Finally, we refine our analysis for the Bellman–Ford algorithm, yielding substantially smaller required training sets and significantly extending the recent work of Nerem et al., 2025 by allowing for a differentiable regularization loss. Empirical results largely support our theoretical findings.

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MuonSSM: Orthogonalizing State Space Models for Sequence Modeling

Thai Khanh Nguyen, Vo Ngoc Bich Uyen, Thieu Vo, Tan Minh Nguyen, Cuong Pham

展开摘要

State space models (SSMs) have emerged as efficient linear-time alternatives to attention for long-sequence modeling. However, existing SSMs often suffer from instability and memory degradation over extended horizons due to poorly conditioned first-order updates and unbalanced update geometry. We introduce MuonSSM, a general framework that stabilizes SSM training by explicitly conditioning the geometry of memory updates rather than the recurrent transition matrix. MuonSSM augments SSMs with a momentum-based pathway and a lightweight Newton-Schulz transformation on low-rank input injections, yielding bounded and spectrally conditioned updates while preserving parallel scan complexity. Theory shows that MuonSSM improves gradient propagation, mitigates spectral amplification, and enriches memory representations over long horizons. Extensive experiments across language, vision, and time-series benchmarks show consistent gains in accuracy, robustness, and long-context performance when integrated into diverse SSM backbones. These results establish geometric conditioning of updates as a principled pathway to stable, scalable sequence modeling.

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Robust Filter Attention: Self-Attention as Precision-Weighted State Estimation

Peter Racioppo

展开摘要

We introduce Robust Filter Attention (RFA), a formulation of self-attention as a robust state estimator. Each token is treated as a noisy observation of a latent trajectory governed by a linear stochastic differential equation (SDE), and attention weights are determined by consistency under this model rather than static feature similarity. Under isotropic noise and decay assumptions, RFA matches the computational complexity of standard attention. On language modeling benchmarks, RFA achieves lower perplexity than RoPE within the training window while remaining stable under zero-shot extrapolation to longer contexts. The framework also provides a dynamical interpretation of standard positional mechanisms, connecting rotational embeddings and recency biases to transport and uncertainty propagation induced by stochastic dynamics.

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The Signal is in the Steps: Local Scoring for Reasoning Data Selection

Hoang Anh Just, Myeongseob Ko, Ruoxi Jia

展开摘要

Distilling long-form reasoning from teacher models into smaller students requires selecting which candidate solutions to train on. Recent work argues that one should select responses the student model assigns highest probability, i.e., favoring solutions ``natural'' to the student. However, we find that this approach works within a single teacher but fails when scaling to long reasoning traces from multiple diverse teachers. We identify a key cause: this approach scores entire solutions, but students generalize by recombining familiar reasoning steps, not by memorizing complete solutions. Full-trajectory scoring optimizes the wrong target; it rewards global fluency while the transferable signal lies in local step transitions. We propose Local Average Log Probability (LALP), which scores each reasoning step using only a small window of preceding context, measuring whether each step is justified by its immediate premises rather than whether the full response looks natural to the student. LALP enables two practical use cases: selecting the best teacher before fine-tuning and curating training data from diverse teacher pools. Across math, coding, and science reasoning tasks, LALP consistently improves accuracy when selecting the most natural solutions by a large margin.

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Failure-Driven Workflow Refinement

Jusheng zhang, Kaitong Cai, Jing Yang, Ziliang Chen, Yongsen Zheng, Kwok-Yan Lam, Liang Lin, Keze Wang

展开摘要

Workflow optimization for tool-using LLM agents is often cast as global search over candidate graphs, scored by a scalar metric. This collapses rich, multi-step failure traces into binary outcomes, obscuring recurring failure structure and making refinement inefficient. We reframe optimization as \emph{distributional refinement}: each workflow induces a density over a \textbf{Failure Signature Space} $\mathcal{F}$, and the goal is to minimize its \textbf{Expected Failure Mass}. We propose \textbf{CE-Graph}, which maintains a counterexample pool, estimates dense failure modes, and applies operator-constrained graph edits via a \textbf{Propose-and-Verify} loop with a convergence-aware stopping rule. Across math, code, and QA benchmarks, CE-Graph improves robustness while reducing optimization cost compared to strong workflow-search baselines, suggesting reliability emerges from learning and reshaping failure landscapes rather than merely maximizing aggregate success rates.

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High-Accuracy Sampling for Diffusion Models and Log-Concave Distributions

Fan Chen, Sinho Chewi, Constantinos Costis Daskalakis, Alexander Rakhlin

展开摘要

We present algorithms for diffusion model sampling which obtain $\delta$-error in $\mathrm{polylog}(1/\delta)$ steps, given access to $\widetilde O(\delta)$-accurate score estimates in $L^2$. This is an exponential improvement over all previous results. Specifically, under minimal data assumptions, the complexity is $\widetilde O(d\mathrm{polylog}(1/\delta))$ where $d$ is the dimension of the data; under a non-uniform $L$-Lipschitz condition, the complexity is $\widetilde O(\sqrt{dL}\mathrm{polylog}(1/\delta))$; and if the data distribution has intrinsic dimension $d_\star$, then the complexity reduces to $\widetilde O(d_\star\mathrm{polylog}(1/\delta))$. Our approach also yields the first $\mathrm{polylog}(1/\delta)$ complexity sampler for general log-concave distributions using only gradient evaluations.

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Less is Enough: Synthesizing Diverse Data in LLM Feature Space with Sparse Autoencoders

Zhongzhi Li, Xuansheng Wu, Yijiang Li, Lijie Hu, Ninghao Liu

展开摘要

The diversity of post-training data is critical for effective downstream performance in large language models (LLMs). Many existing approaches to constructing post-training data quantify diversity using text-based metrics that capture linguistic variation, but such metrics provide only weak signals for the task-relevant features that determine downstream performance. In this work, we introduce ***Feature Activation Coverage* (FAC)** which measures data diversity in an interpretable feature space. Building upon this metric, we further propose a diversity-driven data synthesis framework, named **FAC Synthesis**, that first uses a sparse autoencoder to identify missing features from a seed dataset, and then generates synthetic samples that explicitly reflect these features. Experiments show that our approach consistently improves both data diversity and downstream performance on various tasks, including instruction following, toxicity detection, reward modeling, and behavior steering. Interestingly, we identify a shared, interpretable feature space across model families (i.e., LLaMA, Mistral, and Qwen), enabling cross-model knowledge transfer. Our work provides a solid and practical methodology for exploring data-centric optimization of LLMs.

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Unifying and Optimizing Data Values for Selection via Sequential Decision-Making

Hongliang Chi, Qiong Wu, Zhengyi Zhou, Jonathan Light, Emily Dodwell, Yao Ma

展开摘要

Data selection has emerged as a crucial downstream application of data valuation, yet the theoretical foundations for using data values in selection remain underexplored. We reformulate data selection as a sequential decision-making problem where the optimal selection sequence arises from dynamic programming, and data values can be understood as encodings of this optimal sequence. This framework unifies and reinterprets existing methods like Data Shapley through the lens of approximate dynamic programming, revealing them as myopic linear approximations to the sequential problem. We further analyze how selection optimality degrades with utility curvature under submodularity, explaining when and why these approximations fail. To bridge theory and practice, we propose an efficient bipartite graph-based surrogate that preserves submodular structure while enabling scalable greedy selection with provable guarantees. Experiments on classical ML benchmarks and large-scale LLM fine-tuning data selection demonstrate substantial improvements over existing methods. Code is publicly available at https://github.com/frankhlchi/SeqDataVal

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Video-Based Optimal Transport for Feedback-Efficient Offline Preference-Based Reinforcement Learning

Tung Minh Luu, Hwanhee Kim, Younghwan Lee, Chang D. Yoo

展开摘要

Conveying complex objectives to reinforcement learning (RL) agents often requires meticulous reward engineering. Preference-based RL (PbRL) offers a promising alternative by learning reward functions from human feedback, but its scalability is hindered by high labeling costs. Inspired by advances in Video Foundation Models (ViFMs), we present Video-based Optimal Transport Preference (VOTP), a semi-supervised framework that learns effective reward functions from only a handful of labels. By leveraging optimal transport to align visual trajectories within the rich representation space of ViFMs, VOTP effectively generates high-fidelity pseudo-labels for large amounts of unlabeled data, substantially reducing human supervision. Extensive experiments across locomotion and manipulation benchmarks demonstrate the superiority of VOTP, which outperforms state-of-the-art offline PbRL methods under limited feedback budgets. We also showcase the robustness of VOTP in the presence of visual distractors and validate its utility on real robotic tasks, where it learns meaningful rewards with minimal human input.

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DGS-Net: Distillation-Guided Gradient Surgery for CLIP Fine-Tuning in AI-Generated Image Detection

Jiazhen Yan, Ziqiang Li, Fan Wang, Boyu Wang, Ziwen He, Zhangjie Fu

展开摘要

The rapid progress of generative models such as GANs and diffusion models has led to the widespread proliferation of AI-generated images, raising concerns about misinformation, privacy violations, and trust erosion in digital media. Although large-scale multimodal models like CLIP offer strong transferable representations for detecting synthetic content, fine-tuning them often induces catastrophic forgetting, which degrades pre-trained priors and limits cross-domain generalization. To address this issue, we propose the Distillation-guided Gradient Surgery Network (DGS-Net), a novel framework that preserves transferable pre-trained priors while suppressing task-irrelevant components. Specifically, we introduce a gradient-space decomposition that separates harmful and beneficial descent directions during optimization. By projecting task gradients onto the orthogonal complement of harmful directions and aligning with beneficial ones distilled from a frozen CLIP encoder, DGS-Net achieves unified optimization of prior preservation and irrelevant suppression. Extensive experiments on 50 generative models demonstrate that our method outperforms state-of-the-art approaches by an average margin of 6.6%, achieving superior detection performance and generalization across diverse generation techniques.

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DreamDojo: A Generalist Robot World Model from Large-Scale Human Videos

Shenyuan Gao, William Liang, Kaiyuan Zheng, Ayaan Naveed Malik, Seonghyeon Ye, Sihyun Yu, Wei-Cheng Tseng, Yuzhu Dong, Kaichun Mo, Chen-Hsuan Lin, Jiannan Xiang, Yuqi Xie, Ruijie Zheng, Dantong Niu, Pooya Jannaty, Jinwei Gu, Jun Zhang, Jitendra Malik, Pieter Abbeel, Ming-Yu Liu, Yuke Zhu, Joel Jang, Linxi Fan

展开摘要

Being able to simulate the outcomes of actions in varied environments will revolutionize the development of generalist agents at scale. However, modeling these world dynamics, especially for dexterous robotics tasks, poses significant challenges due to limited data coverage and scarce action labels. As an endeavor towards this end, we introduce DreamDojo, a foundation world model that learns diverse interactions and dexterous controls from 44k hours of egocentric human videos. Our data mixture represents the largest video dataset to date for world model pretraining, spanning a wide range of daily scenarios with diverse objects and skills. To address the scarcity of action labels, we introduce continuous latent actions as unified proxy actions, enhancing interaction knowledge transfer from unlabeled videos. After post-training on small-scale target robot data, DreamDojo demonstrates a strong understanding of physics and precise action controllability. We also devise a distillation pipeline that accelerates DreamDojo to a real-time speed of 10.93 FPS and further improves consistency to the context. Our work enables several important applications based on generative world models, including live teleoperation, policy evaluation, and model-based planning. Systematic evaluation on multiple challenging out-of-distribution (OOD) benchmarks verifies the significance of our method for simulating open-world, contact-rich tasks, paving the way for general-purpose robot world models.

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PaperBanana: Automating Academic Illustration for AI Scientists

Dawei Zhu, Rui Meng, Yale Song, Xiyu Wei, Sujian Li, Tomas Pfister, Jinsung Yoon

展开摘要

Despite rapid advances in autonomous AI scientists powered by language models, generating publication-ready illustrations remains a labor-intensive bottleneck in the research workflow. To lift this burden, we introduce PaperBanana, an agentic framework for automated generation of publication-ready academic illustrations. Powered by state-of-the-art VLMs and image generation models, PaperBanana orchestrates specialized agents to retrieve references, plan content and style, render images, and iteratively refine via self-critique. To rigorously evaluate our framework, we introduce PaperBananaBench, comprising 292 test cases for methodology diagrams curated from NeurIPS 2025 publications, covering diverse research domains and illustration styles. Comprehensive experiments demonstrate that PaperBanana consistently outperforms leading baselines in faithfulness, conciseness, readability, and aesthetics. We further show that our method effectively extends to the generation of high-quality statistical plots. Collectively, PaperBanana paves the way for the automated generation of publication-ready illustrations.

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HELIX: Hybrid Encoding with Learnable Identity and Cross-dimensional Synthesis for Time Series Imputation

Fengming Zhang, Wenjie Du, Huan Zhang, Ke Yu, Shen Qu

展开摘要

Time series imputation benefits from leveraging cross-feature correlations, yet existing attention-based methods re-discover feature relationships at each layer, lacking persistent anchors to maintain consistent representations. To address this, we propose HELIX, which assigns each feature a learnable feature identity, a persistent embedding that captures intrinsic semantic properties throughout the network. Unlike graph-based methods that rely on predefined topology and assume homogeneous spatial relationships, HELIX learns arbitrary feature dependencies end-to-end from temporal co-variation, naturally handling datasets where features mix spatial locations with semantic variables. Integrated with hybrid temporal-feature attention, HELIX achieves the state-of-the-art performance, surpassing all 16 baselines on 5 public datasets across 21 experimental settings in our evaluation. Furthermore, our mechanistic analysis reveals that HELIX aligns learned feature identities and dependencies with latent physical and semantic structure progressively across layers, demonstrating that it more effectively translates cross-feature structure into imputation accuracy.

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OC-space: a Unifying Perspective on Verification of Tree Ensembles

Timo Martens, Laurens Devos, Lorenzo Cascioli, Wannes Meert, Hendrik Blockeel, Jesse Davis

展开摘要

We study the problem of verifying whether certain properties such as robustness or fairness hold in an ensemble of decision trees. This problem is known to be NP-hard, with most research targeting a solution to a specific verification task. We explore the problem through the lens of an ensemble's OC-space: the set of all possible combinations of the individual trees' predictions. This provides a unifying view that yields a more generic and flexible approach to verification. We show that a wide variety of existing verification tasks can be (1) framed as simple searches through OC-space, and (2) answered in time linear or quadratic in the size of the OC-space. Moreover, the search can be made more efficient by using spatial index structures. Interestingly, while the OC-space can grow exponentially with the ensemble's size, in practice it is often feasible to enumerate all output configurations. Empirically, we show that our generic approach can be faster than approaches targeting a single verification task.

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Learning Unmasking Policies for Diffusion Language Models

Metod Jazbec, Theo X. Olausson, Louis Béthune, Pierre Ablin, Michael Kirchhof, Joao Monteiro, Victor Guilherme Turrisi da Costa, Jason Ramapuram, marco cuturi

展开摘要

Diffusion (Large) Language Models (dLLMs) now match the downstream performance of their autoregressive counterparts on many tasks, while holding the promise of being more efficient during inference. One critical design aspect of dLLMs is the \textit{sampling procedure} that selects which tokens to unmask at each diffusion step. Indeed, recent work has found that heuristic strategies such as confidence thresholding improve both sample quality and token throughput compared to random unmasking. However, such heuristics have downsides: they require manual tuning, and we observe that their performance degrades with larger block sizes. In this work, we instead propose to train sampling procedures using reinforcement learning. Specifically, we formalize masked diffusion sampling as a Markov decision process in which the dLLM serves as the environment, and propose a lightweight policy based on a single-layer transformer that maps dLLM token confidences to unmasking decisions. Our experiments show that these trained policies match the performance of state-of-the-art heuristics when combined with semi-autoregressive (block) generation, while outperforming them in the full-diffusion setting. Our code is available at [https://github.com/apple/ml-rl-dllm](https://github.com/apple/ml-rl-dllm).

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