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We present a time dependent variational method to learn the mechanisms of equilibrium reactive processes and efficiently evaluate their rates within a transition path ensemble. This approach builds off variational path sampling methodology…

Chemical Physics · Physics 2023-07-10 Aditya N. Singh , David T. Limmer

Diffusion and flow matching approaches to generative modeling have shown promise in domains where the state space is continuous, such as image generation or protein folding & design, and discrete, exemplified by diffusion large language…

The control of complex systems is of critical importance in many branches of science, engineering, and industry. Controlling an unsteady fluid flow is particularly important, as flow control is a key enabler for technologies in energy…

Machine Learning · Computer Science 2020-12-18 Katharina Bieker , Sebastian Peitz , Steven L. Brunton , J. Nathan Kutz , Michael Dellnitz

Trending news detection in low-traffic search environments faces a fundamental cold-start problem, where a lack of query volume prevents systems from identifying emerging or long-tail trends. Existing methods relying on keyword frequency or…

Information Retrieval · Computer Science 2026-01-27 Zijing Hui , Wenhan Lyu , Shusen Wang , Li Chen , Chu Wang

Recent advances in inverse problem solving have increasingly adopted flow priors over diffusion models due to their ability to construct straight probability paths from noise to data, thereby enhancing efficiency in both training and…

Computer Vision and Pattern Recognition · Computer Science 2025-11-11 Hossein Askari , Yadan Luo , Hongfu Sun , Fred Roosta

Deep generative models provide state-of-the-art performance across a wide array of applications, with recent studies showing increasing applicability for science and engineering. Despite a growing corpus of literature focused on the…

Machine Learning · Computer Science 2026-05-14 Jacob K. Christopher , James E. Warner , Ferdinando Fioretto

Flow-matching-based policies have recently emerged as a promising approach for learning-based robot manipulation, offering significant acceleration in action sampling compared to diffusion-based policies. However, conventional flow-matching…

Robotics · Computer Science 2025-10-03 Xuanran Zhai , Qianyou Zhao , Qiaojun Yu , Ce Hao

Flow matching has emerged as a promising generative approach that addresses the lengthy sampling times associated with state-of-the-art diffusion models and enables a more flexible trajectory design, while maintaining high-quality image…

Computer Vision and Pattern Recognition · Computer Science 2025-11-27 Arnela Hadzic , Franz Thaler , Lea Bogensperger , Simon Johannes Joham , Martin Urschler

Future trajectories of neighboring traffic agents have a significant influence on the path planning and decision-making of autonomous vehicles. While trajectory forecasting is a well-studied field, research mainly focuses on snapshot-based…

Computer Vision and Pattern Recognition · Computer Science 2026-03-03 Alexander Prutsch , David Schinagl , Horst Possegger

Human trajectory prediction is a practical task of predicting the future positions of pedestrians on the road, which typically covers all temporal ranges from short-term to long-term within a trajectory. However, existing works attempt to…

Computer Vision and Pattern Recognition · Computer Science 2024-07-17 Xiaotong Lin , Tianming Liang , Jianhuang Lai , Jian-Fang Hu

Maximum entropy reinforcement learning (MaxEnt RL) has become a standard framework for sequential decision making, yet its standard Gaussian policy parameterization is inherently unimodal, limiting its ability to model complex multimodal…

Machine Learning · Computer Science 2026-04-13 Xubin Zhou , Yipeng Yang , Zhan Li

Discrete flow matching generates text by iteratively transforming noise tokens into coherent language, but may require hundreds of forward passes. Distillation uses the multi-step trajectory to train a student to reproduce the process in a…

Machine Learning · Computer Science 2026-05-11 Amin Karimi Monsefi , Dominic Culver , Nikhil Bhendawade , Manuel R. Ciosici , Yizhe Zhang , Irina Belousova

Stochasticity plays important roles in reaction systems. Vector fields of probability flux and velocity characterize time-varying and steady-state properties of these systems, including high probability paths, barriers, checkpoints among…

Molecular Networks · Quantitative Biology 2018-12-05 Anna Terebus , Chun Liu , Jie Liang

Flow-matching models have enabled high-quality text-to-speech synthesis, but their iterative sampling process during inference incurs substantial computational cost. Although distillation is widely used to reduce the number of inference…

Sound · Computer Science 2026-02-11 Bin Lin , Peng Yang , Chao Yan , Xiaochen Liu , Wei Wang , Boyong Wu , Pengfei Tan , Xuerui Yang

Fragment-based drug design is a promising strategy leveraging the binding of small chemical moieties that can efficiently guide drug discovery. The initial step of fragment identification remains challenging, as fragments often bind weakly…

Biomolecules · Quantitative Biology 2025-09-17 Rebecca Manuela Neeser , Ilia Igashov , Arne Schneuing , Michael Bronstein , Philippe Schwaller , Bruno Correia

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

Disentangling the mechanistic details of a chemical reaction pathway is a hard problem that often requires a considerable amount of chemical intuition and a component of luck. Experiments struggle in observing short-life metastable…

Chemical Physics · Physics 2019-08-01 Valerio Rizzi , Dan Mendels , Emilia Sicilia , Michele Parrinello

Learning-based planners are sensitive to the long-tailed distribution of driving data. Common maneuvers dominate datasets, while dangerous or rare scenarios are sparse. This imbalance can bias models toward the frequent cases and degrade…

Robotics · Computer Science 2026-02-18 Lingguang Wang , Ömer Şahin Taş , Marlon Steiner , Christoph Stiller

Diffusion Bridge and Flow Matching have both demonstrated compelling empirical performance in transformation between arbitrary distributions. However, there remains confusion about which approach is generally preferable, and the substantial…

Computer Vision and Pattern Recognition · Computer Science 2025-09-30 Kaizhen Zhu , Mokai Pan , Zhechuan Yu , Jingya Wang , Jingyi Yu , Ye Shi

High-energy collisions at the Large Hadron Collider (LHC) provide valuable insights into open questions in particle physics. However, detector effects must be corrected before measurements can be compared to certain theoretical predictions…

High Energy Physics - Experiment · Physics 2023-05-18 Alexander Shmakov , Kevin Greif , Michael Fenton , Aishik Ghosh , Pierre Baldi , Daniel Whiteson