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Deep generative models that produce novel molecular structures have the potential to facilitate chemical discovery. Flow matching is a recently proposed generative modeling framework that has achieved impressive performance on a variety of…

Machine Learning · Computer Science 2024-11-26 Ian Dunn , David R. Koes

We study Bayesian inverse problems with mixed noise, modeled as a combination of additive and multiplicative Gaussian components. While traditional inference methods often assume fixed or known noise characteristics, real-world…

Machine Learning · Computer Science 2025-10-17 Paul Hagemann , Robert Gruhlke , Bernhard Stankewitz , Claudia Schillings , Gabriele Steidl

Flow matching has recently emerged as a powerful paradigm for generative modeling and has been extended to probabilistic time series forecasting in latent spaces. However, the impact of the specific choice of probability path model on…

Machine Learning · Statistics 2025-08-19 Soon Hoe Lim , Yijin Wang , Annan Yu , Emma Hart , Michael W. Mahoney , Xiaoye S. Li , N. Benjamin Erichson

Generative modelling has seen significant advances through simulation-free paradigms such as Flow Matching, and in particular, the MeanFlow framework, which replaces instantaneous velocity fields with average velocities to enable efficient…

Machine Learning · Computer Science 2025-08-12 Yang Cao , Yubin Chen , Zhao Song , Jiahao Zhang

Flow matching has emerged as a powerful framework for generative modeling, offering computational advantages over diffusion models by leveraging deterministic Ordinary Differential Equations (ODEs) instead of stochastic dynamics. While…

Machine Learning · Computer Science 2025-03-13 Chengyue Gong , Xiaoyu Li , Yingyu Liang , Jiangxuan Long , Zhenmei Shi , Zhao Song , Yu Tian

Generating high-quality time series data has emerged as a critical research topic due to its broad utility in supporting downstream time series mining tasks. A major challenge lies in modeling the intrinsic stochasticity of temporal…

Artificial Intelligence · Computer Science 2025-11-20 He Panjing , Cheng Mingyue , Li Li , Zhang XiaoHan

For a considerable time, researchers have focused on developing a method that establishes a deep connection between the generative diffusion model and mathematical physics. Despite previous efforts, progress has been limited to the pursuit…

Computer Vision and Pattern Recognition · Computer Science 2023-04-11 Weiyang Jin , Yongpei Zhu , Yuxi Peng

In this paper, we propose Continuous Graph Flow, a generative continuous flow based method that aims to model complex distributions of graph-structured data. Once learned, the model can be applied to an arbitrary graph, defining a…

Machine Learning · Computer Science 2019-10-01 Zhiwei Deng , Megha Nawhal , Lili Meng , Greg Mori

Flow matching has emerged as a powerful generative modeling approach with flexible choices of source distribution. While Gaussian distributions are commonly used, the potential for better alternatives in high-dimensional data generation…

Computer Vision and Pattern Recognition · Computer Science 2025-12-23 Junho Lee , Kwanseok Kim , Joonseok Lee

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

In this paper, we present a comprehensive theoretical comparison of diffusion and flow matching under the Generator Matching framework. Despite their apparent differences, both diffusion and flow matching can be viewed under the unified…

Machine Learning · Computer Science 2024-12-18 Zeeshan Patel , James DeLoye , Lance Mathias

Recently, Gaussian processes have been used to model the vector field of continuous dynamical systems, referred to as GPODEs, which are characterized by a probabilistic ODE equation. Bayesian inference for these models has been extensively…

Machine Learning · Computer Science 2025-08-11 Jian Xu , Shian Du , Junmei Yang , Xinghao Ding , John Paisley , Delu Zeng

The computational cost associated with simulating fluid flows can make it infeasible to run many simulations across multiple flow conditions. Building upon concepts from generative modeling, we introduce a new method for learning neural…

Computational Physics · Physics 2019-12-17 Jeremy Morton , Freddie D. Witherden , Mykel J. Kochenderfer

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

Graph generative models are essential across diverse scientific domains by capturing complex distributions over relational data. Among them, graph diffusion models achieve superior performance but face inefficient sampling and limited…

Machine Learning · Computer Science 2025-06-17 Yiming Qin , Manuel Madeira , Dorina Thanou , Pascal Frossard

Mainstream flow matching methods typically focus on learning the local velocity field, which inherently requires multiple integration steps during generation. In contrast, Mean Velocity Flow models establish a relationship between the local…

Machine Learning · Computer Science 2026-03-18 Chenrui Ma

The multi-step denoising process in diffusion and Flow Matching models causes major efficiency issues, which motivates research on few-step generation. We present Solution Flow Models (SoFlow), a framework for one-step generation from…

Machine Learning · Computer Science 2026-03-03 Tianze Luo , Haotian Yuan , Zhuang Liu

Flow matching (FM) is increasingly used in scientific domains for time series generation and forecasting, where data often arise from underlying dynamical systems. However, it is not well-understood whether it learns transferable dynamical…

Machine Learning · Statistics 2026-05-08 Soon Hoe Lim , Shizheng Lin , Michael W. Mahoney , N. Benjamin Erichson

Computational fluid dynamics (CFD) provides high-fidelity simulations of fluid flows but remains computationally expensive for many-query applications. In recent years deep learning (DL) has been used to construct data-driven fluid-dynamic…

Machine Learning · Computer Science 2026-04-13 David Ramos , Lucas Lacasa , Fermín Gutiérrez , Eusebio Valero , Gonzalo Rubio

Scale separation is an important physical principle that has previously enabled algorithmic advances such as multigrid solvers. Previous work on normalizing flows has been able to utilize scale separation in the context of scalar field…