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Sampling equilibrium distributions is fundamental to statistical mechanics. While flow matching has emerged as scalable state-of-the-art paradigm for generative modeling, its potential for equilibrium sampling in condensed-phase systems…

Computational Physics · Physics 2026-03-31 Emil Hoffmann , Maximilian Schebek , Leon Klein , Frank Noé , Jutta Rogal

In this paper, we explore the potential of generative machine learning models as an alternative to the computationally expensive Monte Carlo (MC) simulations commonly used by the Large Hadron Collider (LHC) experiments. Our objective is to…

High Energy Physics - Experiment · Physics 2023-11-21 Allison Xu , Shuo Han , Xiangyang Ju , Haichen Wang

We introduce a new paradigm for generative modeling built on Continuous Normalizing Flows (CNFs), allowing us to train CNFs at unprecedented scale. Specifically, we present the notion of Flow Matching (FM), a simulation-free approach for…

Machine Learning · Computer Science 2023-02-09 Yaron Lipman , Ricky T. Q. Chen , Heli Ben-Hamu , Maximilian Nickel , Matt Le

The generation of 3D molecules requires simultaneously deciding the categorical features~(atom types) and continuous features~(atom coordinates). Deep generative models, especially Diffusion Models (DMs), have demonstrated effectiveness in…

Machine Learning · Computer Science 2023-12-13 Yuxuan Song , Jingjing Gong , Minkai Xu , Ziyao Cao , Yanyan Lan , Stefano Ermon , Hao Zhou , Wei-Ying Ma

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

Molecular structure generation is a fundamental problem that involves determining the 3D positions of molecules' constituents. It has crucial biological applications, such as molecular docking, protein folding, and molecular design. Recent…

Machine Learning · Computer Science 2025-08-27 Wenyin Zhou , Christopher Iliffe Sprague , Vsevolod Viliuga , Matteo Tadiello , Arne Elofsson , Hossein Azizpour

Accurate emulation of multi-scale physical systems governed by PDEs demands models that remain stable over long autoregressive rollouts while preserving fine-scale structures. Deterministic emulators produce overly-smoothed predictions,…

Flow models have rapidly become the go-to method for training and deploying large-scale generators, owing their success to inference-time flexibility via adjustable integration steps. A crucial ingredient in flow training is the choice of…

The generation of unit-weight events for complex scattering processes presents a severe challenge to modern Monte Carlo event generators. Even when using sophisticated phase-space sampling techniques adapted to the underlying transition…

High Energy Physics - Phenomenology · Physics 2022-05-18 Katharina Danziger , Timo Janßen , Steffen Schumann , Frank Siegert

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

A new method to construct event-generators based on next-to-leading order QCD matrix-elements and leading-logarithmic parton showers is proposed. Matrix elements of loop diagram as well as those of a tree level can be generated using an…

High Energy Physics - Phenomenology · Physics 2010-04-05 Y. Kurihara , J. Fujimoto , T. Ishikawa , K. Kato , S. Kawabata , T. Munehisa , H. Tanaka

Flow matching models have emerged as a powerful method for generative modeling on domains like images or videos, and even on irregular or unstructured data like 3D point clouds or even protein structures. These models are commonly trained…

Machine Learning · Computer Science 2025-05-30 Yuyang Wang , Anurag Ranjan , Josh Susskind , Miguel Angel Bautista

We introduce the first generative model trained on the JetClass dataset. Our model generates jets at the constituent level, and it is a permutation-equivariant continuous normalizing flow (CNF) trained with the flow matching technique. It…

High Energy Physics - Phenomenology · Physics 2025-03-27 Joschka Birk , Erik Buhmann , Cedric Ewen , Gregor Kasieczka , David Shih

Prior flow matching methods in robotics have primarily learned velocity fields to morph one distribution of trajectories into another. In this work, we extend flow matching to capture second-order trajectory dynamics, incorporating…

Robotics · Computer Science 2025-03-11 Khang Nguyen , An T. Le , Tien Pham , Manfred Huber , Jan Peters , Minh Nhat Vu

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

Planning is a critical component of end-to-end autonomous driving. However, prevailing imitation learning methods often suffer from mode collapse, failing to produce diverse trajectory hypotheses. Meanwhile, existing generative approaches…

Computer Vision and Pattern Recognition · Computer Science 2025-10-31 Lin Liu , Guanyi Yu , Ziying Song , Junqiao Li , Caiyan Jia , Feiyang Jia , Peiliang Wu , Yandan Luo

We propose a general approach for the description of multijet events in the framework of QCD event generators. We introduce a new algorithm to match parton showers and arbitrary matrix elements for the production of any number of jets via…

High Energy Physics - Phenomenology · Physics 2009-10-31 F. Krauss , R. Kuhn , G. Soff

Current state-of-the-art generative models map noise to data distributions by matching flows or scores. A key limitation of these models is their inability to readily integrate available partial observations and additional priors. In…

Generative models excel at synthesizing high-fidelity samples from complex data distributions, but they often violate hard constraints arising from physical laws or task specifications. A common remedy is to project intermediate samples…

Machine Learning · Computer Science 2025-09-30 Jinhao Liang , Yixuan Sun , Anirban Samaddar , Sandeep Madireddy , Ferdinando Fioretto

Flow-based generative models have recently shown impressive performance for conditional generation tasks, such as text-to-image generation. However, current methods transform a general unimodal noise distribution to a specific mode of the…

Machine Learning · Computer Science 2025-02-14 Noam Issachar , Mohammad Salama , Raanan Fattal , Sagie Benaim