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When manipulating three-dimensional data, it is possible to ensure that rotational and translational symmetries are respected by applying so-called SE(3)-equivariant models. Protein structure prediction is a prominent example of a task…

Machine Learning · Computer Science 2021-03-17 Fabian B. Fuchs , Edward Wagstaff , Justas Dauparas , Ingmar Posner

Diffusion policies have achieved great success in online reinforcement learning (RL) due to their strong expressive capacity. However, the inference of diffusion policy models relies on a slow iterative sampling process, which limits their…

Machine Learning · Computer Science 2025-10-17 Tianyi Chen , Haitong Ma , Na Li , Kai Wang , Bo Dai

Modality gap significantly restricts the effectiveness of multimodal fusion. Previous methods often use techniques such as diffusion models and adversarial learning to reduce the modality gap, but they typically focus on one-to-one…

Computer Vision and Pattern Recognition · Computer Science 2026-02-24 Sijie Mai , Shiqin Han

Conventional physically based rendering (PBR) pipelines generate photorealistic images through computationally intensive light transport simulations. Although recent deep learning approaches leverage diffusion model priors with geometry…

Computer Vision and Pattern Recognition · Computer Science 2026-04-08 Shenghao Zhang , Runtao Liu , Christopher Schroers , Yang Zhang

Rectified Flow offers a simple and effective approach to high-quality generative modeling by learning a velocity field. However, we identify a limitation in directly modeling the velocity with an unconstrained neural network: the learned…

Machine Learning · Computer Science 2025-10-21 Xixi Hu , Runlong Liao , Keyang Xu , Bo Liu , Yeqing Li , Eugene Ie , Hongliang Fei , Qiang Liu

Generative models for 3D molecular conformations must respect Euclidean symmetries and concentrate probability mass on thermodynamically favorable, mechanically stable structures. However, E(3)-equivariant diffusion models often reproduce…

Machine Learning · Computer Science 2026-01-30 Yunyang Li , Lin Huang , Luojia Xia , Wenhe Zhang , Mark Gerstein

Video generation models trained on heterogeneous data with likelihood-surrogate objectives can produce visually plausible rollouts that violate physical constraints in embodied manipulation. Although reinforcement-learning post-training…

Computer Vision and Pattern Recognition · Computer Science 2026-05-15 Zhenyang Ni , Yijiang Li , Ruochen Jiao , Simon Sinong Zhan , Sipeng Chen , Zhenfei Yin , Minshuo Chen , Philip Torr , Zhaoran Wang , Qi Zhu

The performance of flow matching and diffusion models can be greatly improved at inference time using reward alignment algorithms, yet efficiency remains a major limitation. While several algorithms were proposed, we demonstrate that a…

Machine Learning · Computer Science 2026-02-12 Peter Holderrieth , Uriel Singer , Tommi Jaakkola , Ricky T. Q. Chen , Yaron Lipman , Brian Karrer

The conformational landscape of proteins is crucial to understanding their functionality in complex biological processes. Traditional physics-based computational methods, such as molecular dynamics (MD) simulations, suffer from rare event…

Biomolecules · Quantitative Biology 2024-09-25 Yan Wang , Lihao Wang , Yuning Shen , Yiqun Wang , Huizhuo Yuan , Yue Wu , Quanquan Gu

Flow-based generative models, including diffusion models, excel at modeling continuous distributions in high-dimensional spaces. In this work, we introduce Flow Policy Optimization (FPO), a simple on-policy reinforcement learning algorithm…

Machine Learning · Computer Science 2025-08-04 David McAllister , Songwei Ge , Brent Yi , Chung Min Kim , Ethan Weber , Hongsuk Choi , Haiwen Feng , Angjoo Kanazawa

Current robotic pick-and-place policies typically require consistent gripper configurations across training and inference. This constraint imposes high retraining or fine-tuning costs, especially for imitation learning-based approaches,…

We propose SymDiff, a method for constructing equivariant diffusion models using the framework of stochastic symmetrisation. SymDiff resembles a learned data augmentation that is deployed at sampling time, and is lightweight,…

Machine Learning · Computer Science 2025-03-04 Leo Zhang , Kianoosh Ashouritaklimi , Yee Whye Teh , Rob Cornish

Diffusion models have recently emerged as expressive policy representations for online reinforcement learning (RL). However, their iterative generative processes introduce substantial training and inference overhead. To overcome this…

Machine Learning · Computer Science 2026-04-17 Xiaoyi Dong , Xi Sheryl Zhang , Jian Cheng

Mean flow (MeanFlow) enables efficient, high-fidelity image generation, yet its single-function evaluation (1-NFE) generation often cannot yield compelling results. We address this issue by introducing RMFlow, an efficient multimodal…

Machine Learning · Computer Science 2026-02-03 Yuhao Huang , Shih-Hsin Wang , Andrea L. Bertozzi , Bao Wang

We propose an inference-time scaling approach for pretrained flow models. Recently, inference-time scaling has gained significant attention in LLMs and diffusion models, improving sample quality or better aligning outputs with user…

Computer Vision and Pattern Recognition · Computer Science 2025-10-27 Jaihoon Kim , Taehoon Yoon , Jisung Hwang , Minhyuk Sung

Diffusion models are powerful generative models that achieve state-of-the-art performance in image synthesis. However, training them demands substantial amounts of data and computational resources. Continual learning would allow for…

Machine Learning · Computer Science 2025-03-05 Sergi Masip , Pau Rodriguez , Tinne Tuytelaars , Gido M. van de Ven

This paper introduces ManiFlow, a visuomotor imitation learning policy for general robot manipulation that generates precise, high-dimensional actions conditioned on diverse visual, language and proprioceptive inputs. We leverage flow…

We present a generative modeling framework for synthesizing physically feasible two-dimensional incompressible flows under arbitrary obstacle geometries and boundary conditions. Whereas existing diffusion-based flow generators either ignore…

Fluid Dynamics · Physics 2026-02-23 Noah Trupin , Rahul Ghosh , Aadi Jangid

Neural operators are promising surrogates for dynamical systems but when trained with standard L2 losses they tend to oversmooth fine-scale turbulent structures. Here, we show that combining operator learning with generative modeling…

Offline reinforcement learning (RL) provides a compelling paradigm for training autonomous systems without the risks of online exploration, particularly in safety-critical domains. However, jointly achieving strong safety and performance…

Machine Learning · Computer Science 2026-02-10 Manan Tayal , Mumuksh Tayal