ICML 2026 论文列表

International Conference on Machine Learning

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6,341篇论文

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主题: 深度学习 · generative models and autoencoders · 604 篇论文 · 重置筛选

Multi-Objective Protein Design via Memory-Aware Test-Time Scaling in Diffusion Models

Ming Yang, Xin Zheng, Yi Li, YIZHEN ZHENG, Huan Yee Koh, Yanqing Guo, Xiaofeng Cao, Shirui Pan

展开摘要

Multi-objective protein design is essential for meeting the complex demands of synthetic biology. To adapt to shifting multi-functional targets without the prohibitive cost of retraining, test-time scaling has emerged as a flexible, training-free alternative. However, current test-time diffusion methods face critical challenges: i) ineffective learning from interaction history leading to repetitive design errors, ii) over-reliance on successful cases as the reward signal, and iii) difficulties in balancing multi-objective functional trade-offs . To address these limitations, we propose MoMST, a framework for Multi-objective protein design via Memory-aware Self-contrastive learning with Test-time scaling in diffusion models. At test time, we develop a memory bank to extract generalizable reasoning experience from historical iterations. Building on this powerful experience learner, we derive rich residue-level relative preference signals from both successful and failed cases via self-contrastive learning for guiding protein generation. To ensure balance among competing multi-objective functions, we present an inference-time Pareto alignment strategy to resolve objective conflicts. Evaluations on both single-objective and complex multi-objective tasks demonstrate the remarkable performance of MoMST, with code available at https://github.com/MingYangi/MoMST.

Poster
FasterVAR: Plug-and-Play Acceleration for Visual Autoregressive Models

Senmao Li, Kai Wang, Salman Khan, Fahad Shahbaz Khan, Jian Yang, Yaxing Wang

展开摘要

Visual Autoregressive (VAR) modeling departs from the next-token prediction paradigm of traditional Autoregressive (AR) models through next-scale prediction, enabling high-quality image generation. However, the VAR paradigm suffers from sharply increased computational complexity and running time at large-scale steps. Although existing acceleration methods reduce runtime for large-scale steps, but rely on manual step selection and overlook the varying importance of different stages in the generation process. To address this challenge, we present FasterVAR, a systematic study and plug-and-play acceleration framework for VAR models. Our analysis shows that early steps are critical for preserving semantic and structural consistency and should remain intact, while later steps mainly refine details and can be pruned or approximated for acceleration. Building on these insights, FasterVAR introduces a plug-and-play acceleration strategy that exploits semantic irrelevance and low-rank properties in late-stage computations, without requiring additional training. Our proposed FasterVAR achieves up to 3.4× speedup with almost no performance loss, consistently outperforming existing acceleration baselines. These results highlight stage-aware design as a powerful principle for efficient visual autoregressive image generation. Code: https://github.com/sen-mao/FasterVAR

Poster
Where Concept Erasure Should Occur: Concept–Layer Alignment in Text-to-Video Diffusion Models

Yiwei Xie, Ping Liu, Zheng Zhang

展开摘要

Text-to-video diffusion transformers encode semantic information unevenly across model depth, which constrains effective concept erasure. We identify a representational bottleneck, termed concept–layer topological alignment, under which target concepts exhibit higher separability at certain representational depths. Outside these depths, concept and non-target signals remain strongly entangled, limiting the effectiveness of depth-specific erasure. This observation reframes concept erasure as the problem of identifying representational depths where concept–non-target separation naturally emerges. Motivated by this structural constraint, we introduce CLEAR, a separability-driven optimization framework for concept erasure that explicitly enforces concept–layer alignment. CLEAR operationalizes this principle by formulating layer selection as an optimization problem over concept–non-target separability, rather than relying on layer-agnostic or heuristic choices. To enable this, we introduce a separability-aware objective that favors layers exhibiting stronger concept–non-target separation. Experiments on large-scale text-to-video diffusion models demonstrate that enforcing concept--layer alignment leads to more precise concept suppression while preserving overall generative quality.

Poster
Riemannian MeanFlow

Dongyeop Woo, Marta Skreta, Seonghyun Park, Kirill Neklyudov, Sungsoo Ahn

展开摘要

Diffusion and flow models have become the dominant paradigm for generative modeling on Riemannian manifolds, with successful applications in protein backbone generation and DNA sequence design. However, these methods require tens to hundreds of neural network evaluations at inference time, which can become a computational bottleneck in large-scale scientific sampling workflows. We introduce Riemannian MeanFlow (RMF), a framework for learning flow maps directly on manifolds, enabling high-quality generations with as few as one forward pass. We derive three equivalent characterizations of the manifold average velocity (Eulerian, Lagrangian, and semigroup identities), and analyze parameterizations and stabilization techniques to improve training on high-dimensional manifolds. In promoter DNA design and protein backbone generation settings, RMF achieves comparable sample quality to prior methods while requiring up to 10$\times$ fewer function evaluations. Finally, we show that few-step flow maps enable efficient reward-guided design through reward look-ahead, where terminal states can be predicted from intermediate steps at minimal additional cost.

Poster
Hyperbolic RQ-VAE enhanced Generative Recommendation with Differential-Length Codebook Strategy

Aoran Zhang, Yu-Bin Yang, Yonghong Yu

展开摘要

Recently, the integration of large language models (LLMs) with generative recommendation (GR) has demonstrated promising potential. However, most existing GR methods adopt residual quantization to implicitly model hierarchical relationships across codebook layers in Euclidean space, which distorts the intrinsic tree-like hierarchy and leads to low codebook utilization. To address these issues, we propose a Hyperbolic RQ-VAE enhanced Generative Recommendation, namely HG-Rec. Specifically, HG-Rec enhances the residual quantization mechanism by embedding the latent discrete representations into hyperbolic space to explicitly model hierarchical relationships across codebook layers. Motivated by the exponential volume growth of hyperbolic space, we further design a differential-length codebook strategy, i.e. the codebook size follows a pyramidal structure, which aligns with the tree-like structure and effectively compresses the codebook size. Hence, benefiting from the alignment of hyperbolic geometry and codebook hierarchy, HG-Rec achieves lower collision rates, more uniform codebook usage, and less training time compared to existing methods. Extensive experiments across multiple benchmark datasets demonstrate that HG-Rec consistently achieves state-of-the-art performance. The code is available in the https://github.com/zar123123/HG-Rec.

Poster
Prism-MoE: Efficient Dense-to-MoE Conversion for Visual Autoregressive Generation

Ying Li, Zefang Wang, Zhaode Wang, Zhiwen Chen, chengfei lv, Huan Wang

展开摘要

Scaling up visual autoregressive models improves generation quality but incurs substantial inference costs. Mixture-of-Experts (MoE) architectures mitigate this issue through sparse activation and have proven effective in large language models. However, training MoE models from scratch remains prohibitively expensive, and dense-to-MoE conversion for visual autoregressive models is still underexplored. To enable *low-cost and high-quality dense-to-MoE conversion*, we propose **Prism-MoE**, an efficient framework for transforming pretrained dense visual autoregressive models into sparse MoE models. Prism-MoE consists of two key components. First, we introduce trajectory-consistent Initialization, which formulates expert initialization as a principled decomposition problem and preserves the generation trajectory of pretrained models. Second, we propose a confidence-adaptive sparse fine-tuning framework that aligns expert specialization with the information density of visual tokens via confidence-aware routing supervision. Experiments show that Prism-MoE achieves dense-to-MoE conversion with less than **10\%** of the standard training budget, while maintaining generation quality comparable to dense baselines with only **37.5\%** active parameters.

Poster
EigenCache: Rethinking Diffusion Acceleration as Covariance-Optimal Forecasting and Submodular Information Allocation

Chenyang Xu, Dezhen Wang, Lin Chen, Kepeng Lin, Hao Wang

展开摘要

Accelerating diffusion models via feature caching has progressed from static feature reuse to polynomial extrapolation, yet current cache-then-forecast strategies still rely on hand-crafted approximation families (e.g., Taylor or Hermite bases) that can misalign with the non-stationary, layer-specific dynamics of generative features. This paper introduces EigenCache, a training-free framework that re-frames diffusion acceleration as covariance-adaptive feature forecasting and uncertainty-aware temporal design. EigenCache models cached feature trajectories as time-indexed stochastic processes and estimates layer-wise temporal kernels from a small calibration set. Under the resulting scalar temporal-kernel approximation, the Gaussian-process posterior mean, i.e., Kriging, is risk-optimal within the scalar-weighted linear predictor class; under joint Gaussianity, it further coincides with the MMSE estimator. This formulation generalizes fixed-basis forecasting from a covariance-adaptive perspective while providing a closed-form posterior-variance proxy for prediction uncertainty. Leveraging this proxy, EigenCache selects computation anchors by maximizing a log-determinant information-gain objective over denoising timesteps, a monotone submodular objective with a near-optimal greedy solution. Across image, video, transformer, U-Net, and LoRA-adapted diffusion models, EigenCache achieves a strong speed--fidelity Pareto frontier and provides a principled mechanism for robust compute allocation.

Poster
Causal Forcing: Autoregressive Diffusion Distillation Done Right for High-Quality Real-Time Interactive Video Generation

Hongzhou Zhu, Min Zhao, Guande He, Hang Su, Chongxuan Li, Jun Zhu

展开摘要

To achieve real-time interactive video generation, current methods distill pretrained bidirectional video diffusion models into few-step autoregressive (AR) models, facing an *architectural gap* when full attention is replaced by causal attention. However, existing approaches do not bridge this gap theoretically. They initialize the AR student via ODE distillation, which requires *frame-level injectivity*, where each noisy frame must map to a unique clean frame under the PF-ODE of an *AR teacher*. Distilling an AR student from a bidirectional teacher violates this condition, preventing recovery of the teacher's flow map and instead inducing a conditional-expectation solution, which degrades performance. To address this issue, we propose *Causal Forcing*, which uses an autoregressive teacher for ODE initialization to bridge the architectural gap, and then applies the same DMD procedure as in Self Forcing. Empirical results show that our method outperforms all baselines across all metrics, surpassing the SOTA Self Forcing by 19.3\% in Dynamic Degree, 8.7\% in VisionReward, and 16.7\% in Instruction Following. Project page: https://thu-ml.github.io/CausalForcing.github.io/; the code: https://github.com/thu-ml/Causal-Forcing.

Poster
Threshold-Guided Optimization for Visual Generative Models

Jinbin Bai, Yu Lei, Qingyu Shi, Aosong Feng, Yi Xin, Zhuoran Zhao, Fei Shen, Kaidong Yu, Xiangtai Li

展开摘要

Aligning large visual generative models with human feedback is often performed through pairwise preference optimization. While such approaches are conceptually simple, they fundamentally rely on annotated pairs, limiting scalability in settings where feedback is collected as independent scalar ratings. In this work, we revisit the KL-regularized alignment objective and show that the optimal policy implicitly compares each sample’s reward to an instance-specific baseline that is generally intractable. We propose a threshold-guided alignment framework that replaces this oracle baseline with a data-driven global threshold estimated from empirical score statistics. This formulation turns alignment into a binary decision task on unpaired data, enabling effective optimization directly from scalar feedback. We further incorporate a confidence weighting term to emphasize samples whose scores deviate strongly from the threshold, improving sample efficiency. Experiments across both diffusion and masked generative paradigms, spanning three test sets and five reward models, show that our method consistently improves preference alignment over previous methods. These results position our threshold-guided framework as a simple yet principled alternative for aligning visual generative models without paired comparisons.

Poster
Geometric and Stochastic Analysis of Discontinuities in Sparse Mixture-of-Experts

Tho Tran Huu, Huu-Tuan Nguyen, Thien-Hai Nguyen, Nhat-Tri Ho, Viet-Hoang Tran, Tho Quan, Tan Minh Nguyen

展开摘要

Sparse Mixture-of-Experts (SMoE) architectures are now widely deployed in state-of-the-art language and vision models, where conditional routing allows scaling to very large networks. However, this very Top-$k$ expert selection that enables conditional routing also renders the SMoE map inherently discontinuous. In the vicinity of these discontinuity surfaces, even inputs that are arbitrarily close may activate substantially different sets of experts resulting in significantly different outputs. In this work we give a rigorous geometric and stochastic analysis of these discontinuities. We first classify them by order, determined by the number of tied experts at a switching event. Using measure-theoretic slicing arguments, we establish asymptotic volume estimates for the thickened discontinuity surfaces, showing that lower-order discontinuity sets dominate, whereas higher-order ones occupy a vanishingly small relative volume. Next, modeling random perturbations in the input space via a diffusion process, we prove that the path eventually encounter a discontinuity, and moreover that the first hit almost surely occurs on an order-1 discontinuity with explicit finite-time probability bounds. We further derive occupation-time bounds that quantify the duration the random path spend in the neighborhoods of each discontinuity order. These theoretical results imply that inputs are more likely to lie near lower order discontinuities. Motivated by this insight, we propose a simple smoothing mechanism that can be directly applied to existing SMoEs, softly incorporating experts near discontinuities; our analysis guarantees that the added computational overhead remains small while providing localized smoothing near discontinuities, and experiments across language and vision tasks show that smoothing not only enforces continuity of the SMoE map but also enhances empirical performance.

Spotlight
SemanticNVS: Improving Semantic Scene Understanding in Generative Novel View Synthesis

Xinya Chen, Christopher Wewer, Jiahao Xie, Xinting Hu, Jan Eric Lenssen

展开摘要

We present SemanticNVS, a camera-conditioned multi-view diffusion model for novel view synthesis (NVS), which improves generation quality and consistency by integrating pre-trained semantic feature extractors. Existing NVS methods perform well for views near the input view, however, they tend to generate semantically implausible and distorted images under long-range camera motion, revealing severe degradation. We speculate that this degradation is due to current models failing to fully understand their conditioning or intermediate generated scene content. Here, we propose to integrate pre-trained semantic feature extractors to incorporate stronger scene semantics as conditioning to achieve high-quality generation even at distant viewpoints. We investigate two different strategies, (1) warped semantic features and (2) an alternating scheme of understanding and generation at each denoising step. Experimental results on multiple datasets demonstrate the clear qualitative and quantitative (4.69%-15.26% in FID) improvement over state-of-the-art alternatives.

Poster
Embedding-perturbed Exploration Preference Optimization for Flow Models

Sujie Hu, Chubin Chen, Jiashu Zhu, Jiahong Wu, Xiangxiang Chu, Xiu Li

展开摘要

Recent advancements have established Reinforcement Learning (RL) as a pivotal paradigm for aligning generative models with human intent. However, group-based optimization frameworks (e.g., GRPO) face a critical limitation: *the rapid decay of intra-group variance*. As the distinctiveness among samples within a group diminishes, the variance approaches zero. This eliminates the very learning signal required for optimization, rendering the process unstable and forcing the policy into *premature stagnation or reward hacking*. Existing strategies, such as varying the initial noise or increasing group sizes, often fail to address this fundamental issue, resulting in *training instability or diminishing returns*. To overcome these challenges, we propose **$E$mbedding-perturbed $E$xploration Preference Optimization ($E^2$PO)**, a novel framework that sustains optimization through embedding-level perturbation. Our method introduces structured, embedding-level perturbations within sample groups, guaranteeing a robust variance that preserves the discriminative signal throughout the training process. Extensive experiments demonstrate that our approach significantly outperforms state-of-the-art baselines, achieving a more faithful alignment with human preference.

Poster
Unifying Masked Diffusion Models with Various Generation Orders and Beyond

Chunsan Hong, Sanghyun Lee, Jong Chul Ye

展开摘要

Masked diffusion models (MDMs) are a potential alternative to autoregressive models (ARMs) for language generation, but generation quality depends critically on the generation order. Prior work either hard-codes an ordering (e.g., blockwise left-to-right) or learns an ordering policy for a pretrained MDM, which incurs extra cost and can yield suboptimal solutions due to the two-stage optimization. Motivated by this, we propose order-expressive masked diffusion model (OeMDM) for a broad class of diffusion generative processes with various generation orders, enabling the interpretation of MDM, ARM, and block diffusion in a single framework. Furthermore, building on OeMDM, we introduce learnable-order masked diffusion model (LoMDM), which jointly learns the generation ordering and diffusion backbone through a single objective from scratch, enabling the diffusion model to generate text in context-dependent ordering. Empirically, we confirm that LoMDM outperforms various discrete diffusion models across multiple language modeling benchmarks.

Spotlight
When Do Diffusion Models Learn to Generate Multiple Objects?

Yujin Jeong, Arnas Uselis, Iro Laina, Seong Joon Oh, Anna Rohrbach

展开摘要

Text-to-image diffusion models achieve impressive visual fidelity, yet they remain unreliable in multi-object generation. Despite extensive empirical evidence of these failures, the underlying causes remain unclear. We begin by asking how much of this limitation arises from the data itself. To disentangle data effects, we consider two regimes across different dataset sizes: (1) concept generalization, where each individual concept is observed during training under potentially imbalanced data distributions, and (2) compositional generalization, where specific combinations of concepts are systematically held out. To study these regimes, we introduce mosaic (Multi-Object Spatial relations, AttrIbution, Counting), a controlled framework for dataset generation. By training diffusion models on mosaic, we find that scene complexity plays a dominant role rather than concept imbalance, and that counting is uniquely difficult to learn in low-data regimes. Moreover, compositional generalization collapses as more concept combinations are held out during training. These findings highlight fundamental limitations of diffusion models and motivate stronger inductive biases and data design for robust multi-object compositional generation.

Poster
Multi-Objective Preference Optimization: Improving Human Alignment of Generative Models

Akhil Agnihotri, Rahul Jain, Deepak Ramachandran, Zheng Wen

展开摘要

Post-training LLMs with RLHF and preference optimization methods (e.g., DPO, IPO) has greatly improved alignment, yet these approaches assume a single objective. In reality, humans express multiple, often conflicting objectives, such as helpfulness and harmlessness, with no natural scalarization. We study the multi-objective preference alignment problem, where a policy must balance several objectives simultaneously. We propose Multi-Objective Preference Optimization (MOPO), a constrained KL-regularized framework that maximizes a primary objective while enforcing lower bounds on secondary objectives via tunable safety thresholds. MOPO operates directly on pairwise preferences without point-wise rewards, and admits simple closed-form iterative updates. Empirically, MOPO recovers Pareto-optimal policies on synthetic benchmarks and, when fine-tuned on human-preference data, yields multi-billion parameter models that achieve higher rewards and Pareto-dominate baselines, with stable and robust optimization dynamics.

Poster
Align Your Trajectory Tangent: Training Better Consistency Models via Manifold-Aligned Tangents

Beomsu Kim, ByungHee Cha, Jong Chul Ye

展开摘要

With diffusion and flow matching models achieving state-of-the-art generating performance, the interest of the community now turned to reducing the inference time without sacrificing sample quality. Consistency Models (CMs), which are trained to be consistent on diffusion or probability flow ordinary differential equation (PF-ODE) trajectories, enable one or two-step flow or diffusion sampling. However, CMs typically require prolonged training with large batch sizes to obtain competitive sample quality. In this paper, we examine the training dynamics of CMs near convergence and discover that CM trajectory tangents -- CM output update directions -- are quite oscillatory, in the sense that they move parallel to the data manifold, not towards the manifold. To mitigate oscillatory trajectory tangents, we propose a new loss function, called the {\em manifold feature distance (MFD)}, which provides manifold-aligned trajectory tangents that point toward the data manifold. Consequently, our method -- dubbed {\em Align Your Trajectory Tangent (AYT)} -- can accelerate CM training by orders of magnitude and even out-perform the learned perceptual image patch similarity metric (LPIPS). Furthermore, we find that our loss enables training with extremely small batch sizes without compromising sample quality. Code is available at \url{https://github.com/1202kbs/AYT}

Poster
Minibatch Optimal Transport and Perplexity Bound Estimation in Discrete Flow Matching

Etrit Haxholli, Yeti Z. Gurbuz, Oğul Can, Eli Waxman

展开摘要

Discrete flow matching, a recent framework for modeling categorical data, has shown competitive performance with autoregressive models. However, unlike continuous flow matching, the rectification strategy cannot be applied due to the stochasticity of discrete paths, necessitating alternative methods to minimize state transitions. We propose a dynamic-optimal-transport-like minimization objective and derive its Kantorovich formulation for discrete flows with convex interpolants, where transport cost depends solely on inter-state dissimilarity and can be optimized via minibatch strategies. We show that such methods can reduce the number of transitions up to 32 times (1024 to 32) to reach the same generative perplexity without compromising diversity. Additionally, path nondeterminism in discrete flows precludes an instantaneous change-of-variables analogue, preventing precise probability estimation available to continuous flows. We therefore propose two upper bounds on perplexity, enabling principled training, evaluation and model comparison. Finally, we introduce Multimask Flows which outperform masked flows in generative perplexity without compromising diversity, particularly when utilizing minibatch Optimal Transport.

Poster
A Theoretical Framework for Statistical Evaluability of Generative Models

Shashaank Aiyer, Yishay Mansour, Shay Moran, Han Shao

展开摘要

Statistical evaluation aims to estimate the generalization performance of a model using held-out i.i.d. test data sampled from the ground-truth distribution. In supervised learning settings such as classification, performance metrics such as error rate are well-defined, and test error reliably approximates population error given sufficiently large datasets. In contrast, evaluation is more challenging for generative models due to their open-ended nature: it is unclear which metrics are appropriate and whether such metrics can be reliably evaluated from finite samples. In this work, we introduce a theoretical framework for evaluating language models and establish evaluability results for commonly used metrics. We study two categories of metrics: test-based metrics, including integral probability metrics (IPMs), and similarity-based metrics, including Rényi and KL divergences. We show that IPMs with respect to any bounded test class can be evaluated from finite samples up to multiplicative and additive approximation errors. Moreover, when the test class has finite fat-shattering dimension, IPMs can be evaluated with arbitrary precision. In contrast, similarity-based metrics, including Rényi and KL divergences, are not evaluable from finite samples, as their values can be critically determined by rare events. We also analyze the potential and limitations of perplexity as an evaluation method.

Poster
Magnitude Distance: A Geometric Measure of Dataset Similarity

Sahel Torkamani, Henry Gouk, Rik Sarkar

展开摘要

Quantifying the distance between datasets is a fundamental question in mathematics and machine learning. We propose *magnitude distance*, a novel distance metric defined on finite datasets using the notion of the *magnitude* of a metric space. The proposed distance incorporates a tunable scaling parameter, $t$, that controls the sensitivity to global structure (small $t$) and finer details (large $t$). We prove several theoretical properties of magnitude distance, including its limiting behavior across scales and conditions under which it satisfies key metric properties. In contrast to classical distances, we show that magnitude distance remains discriminative in high-dimensional settings when the scale is appropriately tuned. We further demonstrate how magnitude distance can be used as a training objective for push-forward generative models. Our experimental results support our theoretical analysis and demonstrate that magnitude distance provides meaningful signals, comparable to established distance-based generative approaches.

Poster
Divide-and-Denoise: A Game-Theoretic Method for Fairly Composing Diffusion Models

Abhi Gupta, Polina Barabanshchikova, Vikas K Garg, Samuel Kaski, Tommi Jaakkola

展开摘要

The abundance of pre-trained diffusion models provides an opportunity for composition. Combining several models, however, runs the risk of one model dominating or models disagreeing with each other. Here, we propose Divide-and-Denoise, a method for coordinating multiple pre-trained diffusion models during sampling. Much like managing a specialized workforce, our method creates a fair but efficient division of labor across models. Central to our method is the notion of an allocation which defines the responsibility of each model to every region of the noisy sample. At every timestep, we then denoise by (i) updating the allocation by solving a fair division game, where we divide the sample into regions that maximize total utility under fairness constraints, and (ii) aligning the models with this allocation, where we guide each model to denoise within its assigned region. This leads to a new composite denoising process that evolves in tandem with a division process. We evaluate Divide-and-Denoise on conditional image generation. Across several quality metrics, including the GenEval benchmark, our method outperforms baselines and resolves common failures including missing objects and mismatched attributes. Experiments show that Divide-and-Denoise utilizes each model's expertise without neglecting any other model.

Spotlight