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Deep generative models that produce novel molecular structures have the potential to facilitate chemical discovery. Diffusion models currently achieve state of the art performance for 3D molecule generation. In this work, we explore the use…

Biomolecules · Quantitative Biology 2024-05-01 Ian Dunn , David Ryan Koes

Deep generative models such as flow matching and diffusion models have shown great potential in learning complex distributions and dynamical systems, but often act as black-boxes, neglecting underlying physics. In contrast, physics-based…

Machine Learning · Computer Science 2026-04-28 Gurjeet Sangra Singh , Frantzeska Lavda , Giangiacomo Mercatali , Alexandros Kalousis

Diffusion models have achieved significant progress in both image and video generation while still suffering from huge computation costs. As an effective solution, flow matching aims to reflow the diffusion process of diffusion models into…

Graphics · Computer Science 2025-03-13 Lei Ke , Haohang Xu , Xuefei Ning , Yu Li , Jiajun Li , Haoling Li , Yuxuan Lin , Dongsheng Jiang , Yujiu Yang , Linfeng Zhang

Finding a suitable layout represents a crucial task for diverse applications in graphic design. Motivated by simpler and smoother sampling trajectories, we explore the use of Flow Matching as an alternative to current diffusion-based layout…

Computer Vision and Pattern Recognition · Computer Science 2024-07-16 Julian Jorge Andrade Guerreiro , Naoto Inoue , Kento Masui , Mayu Otani , Hideki Nakayama

We survey continuous-time generative modeling methods based on transporting a simple reference distribution to a data distribution via stochastic or deterministic dynamics. We present a unified framework in which diffusion models,…

Machine Learning · Computer Science 2026-05-11 Aditya Ranganath , Mukesh Singhal

Flow Matching (FM) is a simulation-free method for learning a continuous and invertible flow to interpolate between two distributions, and in particular to generate data from noise. Inspired by the variational nature of the diffusion…

Machine Learning · Statistics 2025-07-14 Chen Xu , Xiuyuan Cheng , Yao Xie

Flow matching has shown state-of-the-art performance in various generative tasks, ranging from image generation to decision-making, where generation under energy guidance (abbreviated as guidance in the following) is pivotal. However, the…

Machine Learning · Computer Science 2025-05-27 Ruiqi Feng , Chenglei Yu , Wenhao Deng , Peiyan Hu , Tailin Wu

Guidance provides a simple and effective framework for posterior sampling by steering the generation process towards the desired distribution. When modeling discrete data, existing approaches mostly focus on guidance with the first-order…

Machine Learning · Computer Science 2026-04-16 Zhengyan Wan , Yidong Ouyang , Liyan Xie , Fang Fang , Hongyuan Zha , Guang Cheng

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

Conditional Flow Matching (CFM), a simulation-free method for training continuous normalizing flows, provides an efficient alternative to diffusion models for key tasks like image and video generation. The performance of CFM in solving…

Machine Learning · Computer Science 2026-03-17 Aram Davtyan , Leello Tadesse Dadi , Volkan Cevher , Paolo Favaro

Conditioning diffusion and flow models have proven effective for super-resolving small-scale details in natural images.However, in physical sciences such as weather, super-resolving small-scale details poses significant challenges due to:…

Computer Vision and Pattern Recognition · Computer Science 2024-10-29 Stathi Fotiadis , Noah Brenowitz , Tomas Geffner , Yair Cohen , Michael Pritchard , Arash Vahdat , Morteza Mardani

Iterative generative models such as Flow Matching and Diffusion models have demonstrated strong test-time scaling behavior, where additional inference computation can improve generation quality. In contrast, Drift Models offer efficient…

Machine Learning · Computer Science 2026-05-19 Chenrui Ma , Xi Xiao , Lin Zhao , Tianyang Wang , Ferdinando Fioretto , Yanning Shen

This paper introduces Gauge Flow Models, a novel class of Generative Flow Models. These models incorporate a learnable Gauge Field within the Flow Ordinary Differential Equation (ODE). A comprehensive mathematical framework for these…

Machine Learning · Computer Science 2026-03-04 Alexander Strunk , Roland Assam

While flow matching is elegant, its reliance on single-sample conditional velocities leads to high-variance training targets that destabilize optimization and slow convergence. By explicitly characterizing this variance, we identify 1) a…

Computer Vision and Pattern Recognition · Computer Science 2026-02-06 Donglin Yang , Yongxing Zhang , Xin Yu , Liang Hou , Xin Tao , Pengfei Wan , Xiaojuan Qi , Renjie Liao

Recent advances in generative models have shown promise in generating behavior plans for long-horizon, sparse reward tasks. While these approaches have achieved promising results, they often lack a principled framework for hierarchical…

Robotics · Computer Science 2026-05-20 Nandiraju Gireesh , Yuanliang Ju , Chaoyi Xu , Weiheng Liu , Yuxuan Wan , He Wang

We introduce Categorical Flow Maps, a flow-matching method for accelerated few-step generation of categorical data via self-distillation. Building on recent variational formulations of flow matching and the broader trend towards accelerated…

Over the past decade, advances in generative modeling, such as generative adversarial networks, masked autoencoders, and diffusion models, have significantly transformed biological research and discovery, enabling breakthroughs in molecule…

Machine Learning · Computer Science 2026-03-10 Zihao Li , Zhichen Zeng , Xiao Lin , Feihao Fang , Yanru Qu , Zhe Xu , Zhining Liu , Xuying Ning , Tianxin Wei , Ge Liu , Hanghang Tong , Jingrui He

Flow Matching (FM) is a recent generative modelling technique: we aim to learn how to sample from distribution $\mathfrak{X}_1$ by flowing samples from some distribution $\mathfrak{X}_0$ that is easy to sample from. The key trick is that…

Differential Geometry · Mathematics 2025-10-24 Finn M. Sherry , Bart M. N. Smets

Advances in generative modeling have recently been adapted to tabular data containing discrete and continuous features. However, generating mixed-type features that combine discrete states with an otherwise continuous distribution in a…

Machine Learning · Computer Science 2026-05-14 Markus Mueller , Kathrin Gruber , Dennis Fok

We propose Flow Mismatching, an unsupervised anomaly detection method that deliberately avoids reconstruction-based paradigms. Instead, we treat flow matching as geometric dynamics and leverage a key insight: anomalies occur at places where…

Computer Vision and Pattern Recognition · Computer Science 2026-05-25 Shengzhe Chen , Mehrdad Moradi , Kamran Paynabar , Hao Yan
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