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Amorphous molecular solids offer a promising alternative to inorganic semiconductors, owing to their mechanical flexibility and solution processability. The packing structure of these materials plays a crucial role in determining their…

Coarse-grained (CG) molecular simulations have become a standard tool to study molecular processes on time- and length-scales inaccessible to all-atom simulations. Parameterizing CG force fields to match all-atom simulations has mainly…

Computational Physics · Physics 2023-02-07 Jonas Köhler , Yaoyi Chen , Andreas Krämer , Cecilia Clementi , Frank Noé

Centralized trajectory optimization in the joint space of multiple robots allows access to a larger feasible space that can result in smoother trajectories, especially while planning in tight spaces. Unfortunately, it is often…

Robotics · Computer Science 2026-04-22 Simon Idoko , Prajyot Jadhav , Arun Kumar Singh

Despite Flow Matching and diffusion models having emerged as powerful generative paradigms for continuous variables such as images and videos, their application to high-dimensional discrete data, such as language, is still limited. In this…

Machine Learning · Computer Science 2024-11-06 Itai Gat , Tal Remez , Neta Shaul , Felix Kreuk , Ricky T. Q. Chen , Gabriel Synnaeve , Yossi Adi , Yaron Lipman

A key question for machine learning approaches in particle physics is how to best represent and learn from collider events. As an event is intrinsically a variable-length unordered set of particles, we build upon recent machine learning…

High Energy Physics - Phenomenology · Physics 2020-04-17 Patrick T. Komiske , Eric M. Metodiev , Jesse Thaler

Flow-matching models provide a powerful framework for various applications, offering efficient sampling and flexible probability path modeling. These models are characterized by flows with low curvature in learned generative trajectories,…

Machine Learning · Computer Science 2025-01-22 Zibin Wang , Zhiyuan Ouyang , Xiangyun Zhang

Flow-based generative modeling is a powerful tool for solving inverse problems in physical sciences that can be used for sampling and likelihood evaluation with much lower inference times than traditional methods. We propose to refine flows…

Machine Learning · Computer Science 2024-10-31 Benjamin Holzschuh , Nils Thuerey

Machine learning technology has the potential to dramatically optimise event generation and simulations. We continue to investigate the use of neural networks to approximate matrix elements for high-multiplicity scattering processes. We…

High Energy Physics - Phenomenology · Physics 2021-09-01 Joseph Aylett-Bullock , Simon Badger , Ryan Moodie

Diffusion policies are expressive yet incur high inference latency. Flow Matching (FM) enables one-step generation, but integrating it into Maximum Entropy Reinforcement Learning (MaxEnt RL) is challenging: the optimal policy is an…

Machine Learning · Computer Science 2026-02-03 Zeqiao Li , Yijing Wang , Haoyu Wang , Zheng Li , Zhiqiang Zuo

In this paper, we establish a connection between the parameterization of flow-based and energy-based generative models, and present a new flow-based modeling approach called energy-based normalizing flow (EBFlow). We demonstrate that by…

Machine Learning · Computer Science 2023-10-31 Chen-Hao Chao , Wei-Fang Sun , Yen-Chang Hsu , Zsolt Kira , Chun-Yi Lee

Generative models are a promising tool to address the sampling problem in multi-body and condensed-matter systems in the framework of statistical mechanics. In this work, we show that normalizing flows can be used to learn a transformation…

Computational Physics · Physics 2022-08-23 Alessandro Coretti , Sebastian Falkner , Phillip Geissler , Christoph Dellago

The efficient simulation of multijet final states presents a serious computational task for analyses of LHC data and will be even more so at the HL-LHC. We here discuss means to accelerate the generation of unweighted events based on a…

High Energy Physics - Phenomenology · Physics 2026-03-11 Tim Herrmann , Timo Janßen , Mathis Schenker , Steffen Schumann , Frank Siegert

Denoising-based models, including diffusion and flow matching, have led to substantial advances in graph generation. Despite this progress, such models remain constrained by two fundamental limitations: a computational cost that scales…

Machine Learning · Computer Science 2026-04-02 Yoann Boget , Pablo Strasser , Alexandros Kalousis

We introduce Generator Matching, a modality-agnostic framework for generative modeling using arbitrary Markov processes. Generators characterize the infinitesimal evolution of a Markov process, which we leverage for generative modeling in a…

Machine Learning · Computer Science 2025-02-28 Peter Holderrieth , Marton Havasi , Jason Yim , Neta Shaul , Itai Gat , Tommi Jaakkola , Brian Karrer , Ricky T. Q. Chen , Yaron Lipman

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 has emerged as a powerful framework for learning continuous transformations between distributions, enabling high-fidelity generative modeling. This work introduces Symmetrical Flow Matching (SymmFlow), a new formulation that…

Computer Vision and Pattern Recognition · Computer Science 2026-03-24 Francisco Caetano , Christiaan Viviers , Peter H. N. De With , Fons van der Sommen

Flow matching has emerged as a compelling generative modeling approach that is widely used across domains. To generate data via a flow matching model, an ordinary differential equation (ODE) is numerically solved via forward integration of…

Computer Vision and Pattern Recognition · Computer Science 2025-07-18 Yichi Zhang , Yici Yan , Alex Schwing , Zhizhen Zhao

This paper presents a novel approach for directly generating full events at detector-level from parton-level information, leveraging cutting-edge machine learning techniques. To address the challenge of multiplicity variations between…

High Energy Physics - Phenomenology · Physics 2024-11-01 Guillaume Quétant , John Andrew Raine , Matthew Leigh , Debajyoti Sengupta , Tobias Golling

Optical flow computation with frame-based cameras provides high accuracy but the speed is limited either by the model size of the algorithm or by the frame rate of the camera. This makes it inadequate for high-speed applications. Event…

Computer Vision and Pattern Recognition · Computer Science 2022-07-25 Ashwin Sanjay Lele , Arijit Raychowdhury

We present $\nu$-Flows, a novel method for restricting the likelihood space of neutrino kinematics in high energy collider experiments using conditional normalizing flows and deep invertible neural networks. This method allows the recovery…

High Energy Physics - Phenomenology · Physics 2023-07-19 Matthew Leigh , John Andrew Raine , Knut Zoch , Tobias Golling