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We propose Functional Flow Matching (FFM), a function-space generative model that generalizes the recently-introduced Flow Matching model to operate in infinite-dimensional spaces. Our approach works by first defining a path of probability…

Machine Learning · Computer Science 2023-12-07 Gavin Kerrigan , Giosue Migliorini , Padhraic Smyth

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

Elucidating reaction mechanisms hinges on efficiently generating transition states (TSs), products, and complete reaction networks. Recent generative models, such as diffusion models for TS sampling and sequence-based architectures for…

Chemical Physics · Physics 2025-11-06 Ping Tuo , Jiale Chen , Ju Li

Diffusion models and flow matching have demonstrated remarkable success in text-to-image generation. While many existing alignment methods primarily focus on fine-tuning pre-trained generative models to maximize a given reward function,…

Machine Learning · Statistics 2026-02-03 Yidong Ouyang , Liyan Xie , Hongyuan Zha , Guang Cheng

We propose a geometry-to-flow diffusion model that utilizes obstacle shape as input to predict a flow field around an obstacle. The model is based on a learnable Markov transition kernel to recover the data distribution from the Gaussian…

Fluid Dynamics · Physics 2025-12-30 Jiajun Hu , Zhen Lu , Yue Yang

Taming the generation outcome of state of the art Diffusion and Flow-Matching (FM) models without having to re-train a task-specific model unlocks a powerful tool for solving inverse problems, conditional generation, and controlled…

Machine Learning · Computer Science 2024-07-23 Heli Ben-Hamu , Omri Puny , Itai Gat , Brian Karrer , Uriel Singer , Yaron Lipman

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

We present a formulation of flow matching as variational inference, which we refer to as variational flow matching (VFM). Based on this formulation we develop CatFlow, a flow matching method for categorical data. CatFlow is easy to…

Machine Learning · Computer Science 2025-08-19 Floor Eijkelboom , Grigory Bartosh , Christian Andersson Naesseth , Max Welling , Jan-Willem van de Meent

Flow and bridge matching are a novel class of processes which encompass diffusion models. One of the main aspect of their increased flexibility is that these models can interpolate between arbitrary data distributions i.e. they generalize…

Machine Learning · Computer Science 2023-11-14 Valentin De Bortoli , Guan-Horng Liu , Tianrong Chen , Evangelos A. Theodorou , Weilie Nie

Generative diffusion models showed high success in many fields with a powerful theoretical background. They convert the data distribution to noise and remove the noise back to obtain a similar distribution. Many existing reviews focused on…

Machine Learning · Computer Science 2024-09-19 Melike Nur Yeğin , Mehmet Fatih Amasyalı

The predominant success of diffusion models in generative modeling has spurred significant interest in understanding their theoretical foundations. In this work, we propose a feature learning framework aimed at analyzing and comparing the…

Machine Learning · Statistics 2025-03-04 Andi Han , Wei Huang , Yuan Cao , Difan Zou

Modern deep generative models can now produce high-quality synthetic samples that are often indistinguishable from real training data. A growing body of research aims to understand why recent methods, such as diffusion and flow matching…

Machine Learning · Computer Science 2025-12-03 Quentin Bertrand , Anne Gagneux , Mathurin Massias , Rémi Emonet

Normalizing flows, diffusion normalizing flows and variational autoencoders are powerful generative models. This chapter provides a unified framework to handle these approaches via Markov chains. We consider stochastic normalizing flows as…

Machine Learning · Computer Science 2023-02-06 Paul Hagemann , Johannes Hertrich , Gabriele Steidl

Diffusion models, a family of generative models based on deep learning, have become increasingly prominent in cutting-edge machine learning research. With a distinguished performance in generating samples that resemble the observed data,…

Machine Learning · Computer Science 2023-05-02 Lequan Lin , Zhengkun Li , Ruikun Li , Xuliang Li , Junbin Gao

We provide a theoretical analysis for end-to-end training Discrete Flow Matching (DFM) generative models. DFM is a promising discrete generative modeling framework that learns the underlying generative dynamics by training a neural network…

Machine Learning · Computer Science 2025-09-29 Maojiang Su , Mingcheng Lu , Jerry Yao-Chieh Hu , Shang Wu , Zhao Song , Alex Reneau , Han Liu

Generation of graphs is a major challenge for real-world tasks that require understanding the complex nature of their non-Euclidean structures. Although diffusion models have achieved notable success in graph generation recently, they are…

Machine Learning · Computer Science 2024-06-04 Jaehyeong Jo , Dongki Kim , Sung Ju Hwang

Generative AI has achieved remarkable empirical success, but from the perspective of statistics it often remains opaque: its predictions may be accurate, yet the underlying mechanism is difficult to interpret, analyze, and trust. This book…

Machine Learning · Statistics 2026-03-11 Shinto Eguchi

Recent advancements in generative modeling, particularly diffusion models, have opened new directions for time series modeling, achieving state-of-the-art performance in forecasting and synthesis. However, the reliance of diffusion-based…

Machine Learning · Computer Science 2025-05-13 Marcel Kollovieh , Marten Lienen , David Lüdke , Leo Schwinn , Stephan Günnemann

Path planning in complex environments is one of the key problems of artificial intelligence because it requires simultaneous understanding of the geometry of space and the global structure of the problem. In this paper, we explore the…

Artificial Intelligence · Computer Science 2026-02-24 Agnieszka Polowczyk , Alicja Polowczyk , Michał Wieczorek

Flow Matching has recently emerged as a popular class of generative models for simulating a target distribution $\mu_1$ from samples drawn from a source distribution $\mu_0$. This framework relies on a fixed coupling between $\mu_0$ and…

Machine Learning · Computer Science 2026-05-12 Le-Tuyet-Nhi Pham , Giovanni Conforti , Zhenjie Ren , Alain Durmus