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Sampling a target probability distribution with an unknown normalization constant is a fundamental challenge in computational science and engineering. Recent work shows that algorithms derived by considering gradient flows in the space of…

Machine Learning · Statistics 2024-03-12 Yifan Chen , Daniel Zhengyu Huang , Jiaoyang Huang , Sebastian Reich , Andrew M Stuart

We introduce Spectral Generative Flow Models (SGFMs), a physics-inspired alternative to transformer-based large language models. Instead of representing text or video as sequences of discrete tokens processed by attention, SGFMs treat…

Machine Learning · Computer Science 2026-01-23 Andrew Kiruluta

The theory of slow invariant manifolds (SIMs) is the foundation of various model-order reduction techniques for dissipative dynamical systems with multiple time-scales, e.g. in chemical kinetic models. The construction of SIMs and many…

Dynamical Systems · Mathematics 2022-01-19 Johannes Poppe , Dirk Lebiedz

We introduce FragFM, a novel hierarchical framework via fragment-level discrete flow matching for efficient molecular graph generation. FragFM generates molecules at the fragment level, leveraging a coarse-to-fine autoencoder to reconstruct…

Machine Learning · Computer Science 2026-03-09 Joongwon Lee , Seonghwan Kim , Seokhyun Moon , Hyunwoo Kim , Woo Youn Kim

Lossless compression methods shorten the expected representation size of data without loss of information, using a statistical model. Flow-based models are attractive in this setting because they admit exact likelihood optimization, which…

Machine Learning · Computer Science 2019-12-09 Emiel Hoogeboom , Jorn W. T. Peters , Rianne van den Berg , Max Welling

Modern vision generators transport a base distribution to data through time-indexed measures, implemented as deterministic flows (ODEs) or stochastic diffusions (SDEs). Despite strong empirical performance, standard flow-matching objectives…

Machine Learning · Computer Science 2026-02-27 Chika Maduabuchi

A Stiefel manifold of the compact type is often encountered in many fields of Engineering including, signal and image processing, machine learning, numerical optimization and others. The Stiefel manifold is a Riemannian homogeneous space…

Computer Vision and Pattern Recognition · Computer Science 2017-08-02 Rudrasis Chakraborty , Baba Vemuri

We introduce Prior-Informed Flow Matching (PIFM), a conditional flow model for graph reconstruction. Reconstructing graphs from partial observations remains a key challenge; classical embedding methods often lack global consistency, while…

Machine Learning · Computer Science 2026-01-30 Harvey Chen , Nicolas Zilberstein , Santiago Segarra

Flow Matching has become a cornerstone of modern generative models like Stable Diffusion 3, largely due to the efficiency of its Rectified Flow (RF) variant. The success of RF hinges on iteratively learning straight trajectories, pushing…

Machine Learning · Computer Science 2026-05-19 Vansh Bansal , Saptarshi Roy , Purnamrita Sarkar , Alessandro Rinaldo

Flow Matching (FM) is a recent framework for generative modeling that has achieved state-of-the-art performance across various domains, including image, video, audio, speech, and biological structures. This guide offers a comprehensive and…

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

Sampling from unnormalized target distributions, e.g.\ Boltzmann distributions $\mu_{\text{target}}(x) \propto \exp(-E(x)/T)$, is fundamental to many scientific applications yet computationally challenging due to complex, high-dimensional…

Machine Learning · Statistics 2026-04-22 Niclas Dern , Lennart Redl , Sebastian Pfister , Marcel Kollovieh , David Lüdke , Stephan Günnemann

Statistical shape modeling aims at capturing shape variations of an anatomical structure that occur within a given population. Shape models are employed in many tasks, such as shape reconstruction and image segmentation, but also shape…

Computer Vision and Pattern Recognition · Computer Science 2022-09-16 David Lüdke , Tamaz Amiranashvili , Felix Ambellan , Ivan Ezhov , Bjoern Menze , Stefan Zachow

Diffusion models (DMs) represent state-of-the-art generative models for continuous inputs. DMs work by constructing a Stochastic Differential Equation (SDE) in the input space (ie, position space), and using a neural network to reverse it.…

Machine Learning · Computer Science 2024-05-14 Tianrong Chen , Jiatao Gu , Laurent Dinh , Evangelos A. Theodorou , Joshua Susskind , Shuangfei Zhai

The scarcity of labeled data is a long-standing challenge for many machine learning tasks. We propose our gradient flow method to leverage the existing dataset (i.e., source) to generate new samples that are close to the dataset of interest…

Machine Learning · Computer Science 2023-11-06 Xinru Hua , Truyen Nguyen , Tam Le , Jose Blanchet , Viet Anh Nguyen

Deep homography estimation has broad applications in computer vision and robotics. Remarkable progresses have been achieved while the existing methods typically treat it as a direct regression or iterative refinement problem and often…

Computer Vision and Pattern Recognition · Computer Science 2026-01-27 Mengfan He , Liangzheng Sun , Chunyu Li , Ziyang Meng

Flow matching as a paradigm of generative model achieves notable success across various domains. However, existing methods use either multi-round training or knowledge within minibatches, posing challenges in finding a favorable coupling…

Computer Vision and Pattern Recognition · Computer Science 2025-09-05 Siyu Xing , Jie Cao , Huaibo Huang , Haichao Shi , Xiao-Yu Zhang

Trajectory prediction and generation are crucial for autonomous robots in dynamic environments. While prior research has typically focused on either prediction or generation, our approach unifies these tasks to provide a versatile framework…

Robotics · Computer Science 2024-11-08 Sean Ye , Matthew Gombolay

Efficient sampling of complex data distributions can be achieved using trained invertible flows (IF), where the model distribution is generated by pushing a simple base distribution through multiple non-linear bijective transformations.…

Machine Learning · Computer Science 2021-07-13 Daniel O'Connor , Walter Vinci

Modeling complex systems that evolve toward equilibrium distributions is important in various physical applications, including molecular dynamics and robotic control. These systems often follow the stochastic gradient descent of an…

Machine Learning · Computer Science 2024-10-16 Christopher Iliffe Sprague , Arne Elofsson , Hossein Azizpour