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We introduce a method for reconstructing an infinitesimal normalizing flow given only an infinitesimal change to a (possibly unnormalized) probability distribution. This reverses the conventional task of normalizing flows -- rather than…

Machine Learning · Statistics 2020-12-04 David Pfau , Danilo Rezende

Energy-based modeling is a promising approach to unsupervised learning, which yields many downstream applications from a single model. The main difficulty in learning energy-based models with the "contrastive approaches" is the generation…

Machine Learning · Computer Science 2021-11-30 Kirill Neklyudov , Priyank Jaini , Max Welling

The accurate estimation of free energy differences between two states is a long-standing challenge in molecular simulations. Traditional approaches generally rely on sampling multiple intermediate states to ensure sufficient overlap in…

Statistical Mechanics · Physics 2026-03-17 Maximilian Schebek , Jiajun He , Emil Hoffmann , Yuanqi Du , Frank Noé , Jutta Rogal

Guidance of generative models is typically achieved by modifying the probability flow vector field through the addition of a guidance field. In this paper, we instead propose the Source-Guided Flow Matching (SGFM) framework, which modifies…

Machine Learning · Computer Science 2025-08-25 Zifan Wang , Alice Harting , Matthieu Barreau , Michael M. Zavlanos , Karl H. Johansson

Score-based generative models have recently achieved remarkable success. While they are usually parameterized by the score, an alternative way is to use a series of time-dependent energy-based models (EBMs), where the score is obtained from…

Machine Learning · Statistics 2026-05-22 RuiKang OuYang , Louis Grenioux , José Miguel Hernández-Lobato

Recent endeavors aimed at forecasting future traffic flow states through deep learning encounter various challenges and yield diverse outcomes. A notable obstacle arises from the substantial data requirements of deep learning models, a…

Machine Learning · Computer Science 2024-04-02 Zhaohui Yang , Kshitij Jerath

This paper studies the cooperative learning of two generative flow models, in which the two models are iteratively updated based on the jointly synthesized examples. The first flow model is a normalizing flow that transforms an initial…

Machine Learning · Statistics 2022-05-17 Jianwen Xie , Yaxuan Zhu , Jun Li , Ping Li

Boltzmann generators approach the sampling problem in many-body physics by combining a normalizing flow and a statistical reweighting method to generate samples in thermodynamic equilibrium. The equilibrium distribution is usually defined…

Statistical Mechanics · Physics 2022-09-07 Manuel Dibak , Leon Klein , Andreas Krämer , Frank Noé

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

Classifier-free guidance is a key component for enhancing the performance of conditional generative models across diverse tasks. While it has previously demonstrated remarkable improvements for the sample quality, it has only been…

Machine Learning · Computer Science 2023-12-11 Qinqing Zheng , Matt Le , Neta Shaul , Yaron Lipman , Aditya Grover , Ricky T. Q. Chen

This study presents a conditional flow matching framework for solving physics-constrained Bayesian inverse problems. In this setting, samples from the joint distribution of inferred variables and measurements are assumed available, while…

We apply for the first time the Flow Matching method to the problem of phase-space sampling for event generation in high-energy collider physics. By training the model to remap the random numbers used to generate the momenta and helicities…

High Energy Physics - Phenomenology · Physics 2025-06-25 Enrico Bothmann , Timo Janßen , Max Knobbe , Bernhard Schmitzer , Fabian Sinz

The generation of equilibrium samples of molecular systems has been a long-standing problem in statistical physics. Boltzmann Generators are a generative machine learning method that addresses this issue by learning a transformation via a…

Machine Learning · Statistics 2025-02-04 Leon Klein , Frank Noé

This paper proposes the divergence triangle as a framework for joint training of generator model, energy-based model and inference model. The divergence triangle is a compact and symmetric (anti-symmetric) objective function that seamlessly…

Machine Learning · Statistics 2019-02-01 Tian Han , Erik Nijkamp , Xiaolin Fang , Mitch Hill , Song-Chun Zhu , Ying Nian Wu

Flows are exact-likelihood generative neural networks that transform samples from a simple prior distribution to the samples of the probability distribution of interest. Boltzmann Generators (BG) combine flows and statistical mechanics to…

Machine Learning · Statistics 2019-10-03 Jonas Köhler , Leon Klein , Frank Noé

Our universe is homogeneous and isotropic, and its perturbations obey translation and rotation symmetry. In this work we develop Translation and Rotation Equivariant Normalizing Flow (TRENF), a generative Normalizing Flow (NF) model which…

Cosmology and Nongalactic Astrophysics · Physics 2022-08-03 Biwei Dai , Uros Seljak

Generative AI (GenAI) has revolutionized data-driven modeling by enabling the synthesis of high-dimensional data across various applications, including image generation, language modeling, biomedical signal processing, and anomaly…

Machine Learning · Computer Science 2025-09-09 Yao Xie , Xiuyuan Cheng

Denoising generative models have recently become the dominant paradigm for dexterous grasp generation, owing to their ability to model complex grasp distributions from large-scale data. However, existing diffusion-based methods typically…

Computer Vision and Pattern Recognition · Computer Science 2026-03-18 Yukun Zhao , Zichen Zhong , Yongshun Gong , Yilong Yin , Haoliang Sun

Unnormalized probability distributions are central to modeling complex physical systems across various scientific domains. Traditional sampling methods, such as Markov Chain Monte Carlo (MCMC), often suffer from slow convergence, critical…

Machine Learning · Computer Science 2025-10-27 Vikas Kanaujia , Vipul Arora

This paper studies generative flow networks (GFlowNets) to sample objects from the Boltzmann energy distribution via a sequence of actions. In particular, we focus on improving GFlowNet with partial inference: training flow functions with…

Machine Learning · Computer Science 2023-10-06 Hyosoon Jang , Minsu Kim , Sungsoo Ahn
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