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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

Diffusion models (DMs) have been adopted across diverse fields with its remarkable abilities in capturing intricate data distributions. In this paper, we propose a Fast Diffusion Model (FDM) to significantly speed up DMs from a stochastic…

Computer Vision and Pattern Recognition · Computer Science 2023-10-05 Zike Wu , Pan Zhou , Kenji Kawaguchi , Hanwang Zhang

Iterative generative models such as Flow Matching and Diffusion models have demonstrated strong test-time scaling behavior, where additional inference computation can improve generation quality. In contrast, Drift Models offer efficient…

Machine Learning · Computer Science 2026-05-19 Chenrui Ma , Xi Xiao , Lin Zhao , Tianyang Wang , Ferdinando Fioretto , Yanning Shen

We tackle the problem of sampling from intractable high-dimensional density functions, a fundamental task that often appears in machine learning and statistics. We extend recent sampling-based approaches that leverage controlled stochastic…

Machine Learning · Computer Science 2024-03-12 Dinghuai Zhang , Ricky T. Q. Chen , Cheng-Hao Liu , Aaron Courville , Yoshua Bengio

Adapting large-scale foundation flow and diffusion generative models to optimize task-specific objectives while preserving prior information is crucial for real-world applications such as molecular design, protein docking, and creative…

Machine Learning · Computer Science 2025-12-01 Riccardo De Santi , Marin Vlastelica , Ya-Ping Hsieh , Zebang Shen , Niao He , Andreas Krause

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

Score-based generative models are a popular class of generative modelling techniques relying on stochastic differential equations (SDE). From their inception, it was realized that it was also possible to perform generation using ordinary…

Machine Learning · Statistics 2024-02-13 Joe Benton , George Deligiannidis , Arnaud Doucet

Diffusion and flow-based generative models have shown strong potential for image restoration. However, image denoising under unknown and varying noise conditions remains challenging, because the learned vector fields may become inconsistent…

Computer Vision and Pattern Recognition · Computer Science 2026-04-06 Jigang Duan , Genwei Ma , Xu Jiang , Wenfeng Xu , Ping Yang , Xing Zhao

Flow-based Generative Models (FGMs) effectively transform noise into complex data distributions. Incorporating Optimal Transport (OT) to couple noise and data during FGM training has been shown to improve the straightness of flow…

Machine Learning · Computer Science 2025-10-20 Lingkai Kong , Molei Tao , Yang Liu , Bryan Wang , Jinmiao Fu , Chien-Chih Wang , Huidong Liu

Normalizing flows are an established approach for modelling complex probability densities through invertible transformations from a base distribution. However, the accuracy with which the target distribution can be captured by the…

Machine Learning · Statistics 2024-02-02 Harry Bevins , Will Handley , Thomas Gessey-Jones

Normalizing flows are generative models that provide tractable density estimation via an invertible transformation from a simple base distribution to a complex target distribution. However, this technique cannot directly model data…

Machine Learning · Statistics 2021-11-15 Brendan Leigh Ross , Jesse C. Cresswell

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

Data scarcity and weak supervision continue to limit the performance of machine learning models in many real-world applications, such as mammography, where Multiple Instance Learning (MIL) often offers the best formulation. While recent…

Machine Learning · Computer Science 2026-04-21 Nikola Jovišić , Milica Škipina , Vanja Švenda

We introduce Statistical Flow Matching (SFM), a novel and mathematically rigorous flow-matching framework on the manifold of parameterized probability measures inspired by the results from information geometry. We demonstrate the…

Machine Learning · Computer Science 2025-11-26 Chaoran Cheng , Jiahan Li , Jian Peng , Ge Liu

Time-resolved single-cell omics data offers high-throughput, genome-wide measurements of cellular states, which are instrumental to reverse-engineer the processes underpinning cell fate. Such technologies are inherently destructive,…

Machine Learning · Computer Science 2026-02-04 Stephen Zhang , Suryanarayana Maddu , Xiaojie Qiu , Victor Chardès

Diffusion models create data from noise by inverting the forward paths of data towards noise and have emerged as a powerful generative modeling technique for high-dimensional, perceptual data such as images and videos. Rectified flow is a…

Simplified stochastic models are widely used in the study of frequency-resolved noise propagation in biochemical reaction networks, a common measure being the coherence between random fluctuations in molecule number trajectories. Such…

Molecular Networks · Quantitative Biology 2025-11-03 Juan David Marmolejo Lozano , Nikola Popovic , Ramon Grima

Ergodic coverage effectively generates exploratory behaviors for embodied agents by aligning the spatial distribution of the agent's trajectory with a target distribution, where the difference between these two distributions is measured by…

Robotics · Computer Science 2025-04-28 Max Muchen Sun , Allison Pinosky , Todd Murphey

Flow matching has recently emerged as a powerful paradigm for generative modeling and has been extended to probabilistic time series forecasting in latent spaces. However, the impact of the specific choice of probability path model on…

Machine Learning · Statistics 2025-08-19 Soon Hoe Lim , Yijin Wang , Annan Yu , Emma Hart , Michael W. Mahoney , Xiaoye S. Li , N. Benjamin Erichson

This paper proposes a new linear power flow model for distribution system with accurate voltage magnitude estimates. The new model can be seen as a generalization of LinDistFlow model to multiphase distribution system with generic network…

Systems and Control · Electrical Eng. & Systems 2021-04-07 Jianqiao Huang , Bai Cui , Xinyang Zhou , Andrey Bernstein