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Understanding the dynamics of complex molecular processes is often linked to the study of infrequent transitions between long-lived stable states. The standard approach to the sampling of such rare events is to generate an ensemble of…

Computational Physics · Physics 2023-05-22 Sebastian Falkner , Alessandro Coretti , Salvatore Romano , Phillip Geissler , Christoph Dellago

We present a framework for learning probability distributions on topologically non-trivial manifolds, utilizing normalizing flows. Current methods focus on manifolds that are homeomorphic to Euclidean space, enforce strong structural priors…

Machine Learning · Computer Science 2022-07-12 Dimitris Kalatzis , Johan Ziruo Ye , Alison Pouplin , Jesper Wohlert , Søren Hauberg

Foundational language models show a remarkable ability to learn new concepts during inference via context data. However, similar work for images lag behind. To address this challenge, we introduce FLoWN, a flow matching model that learns to…

Machine Learning · Computer Science 2025-04-22 Daniel Saragih , Deyu Cao , Tejas Balaji , Ashwin Santhosh

Efficient gradient computation of the Jacobian determinant term is a core problem in many machine learning settings, and especially so in the normalizing flow framework. Most proposed flow models therefore either restrict to a function…

Machine Learning · Computer Science 2021-06-10 T. Anderson Keller , Jorn W. T. Peters , Priyank Jaini , Emiel Hoogeboom , Patrick Forré , Max Welling

Normalizing flows can transform a simple prior probability distribution into a more complex target distribution. Here, we evaluate the ability and efficiency of generative machine learning methods to sample the Boltzmann distribution of an…

Soft Condensed Matter · Physics 2024-09-16 Gerhard Jung , Giulio Biroli , Ludovic Berthier

Normalizing flow (NF) has gained popularity over traditional maximum likelihood based methods due to its strong capability to model complex data distributions. However, the standard approach, which maps the observed data to a normal…

Machine Learning · Computer Science 2022-11-22 Hanze Dong , Shizhe Diao , Weizhong Zhang , Tong Zhang

Machine learning methods and in particular Graph Neural Networks (GNNs) have revolutionized many tasks within the high energy physics community. We report on the novel use of GNNs and a domain-adversarial training method to identify…

High Energy Physics - Experiment · Physics 2023-08-31 Matthew McEneaney , Anselm Vossen

Modern robotic perception is highly dependent on neural networks. It is well known that neural network-based perception can be unreliable in real-world deployment, especially in difficult imaging conditions. Out-of-distribution detection is…

Computer Vision and Pattern Recognition · Computer Science 2024-12-11 Simon Kristoffersson Lind , Rudolph Triebel , Volker Krüger

In this work, we investigate the use of normalizing flows to model conditional distributions. In particular, we use our proposed method to analyze inverse problems with invertible neural networks by maximizing the posterior likelihood. Our…

Machine Learning · Computer Science 2019-11-07 Zhisheng Xiao , Qing Yan , Yali Amit

Normalizing flows (NFs) have become a prominent method for deep generative models that allow for an analytic probability density estimation and efficient synthesis. However, a flow-based network is considered to be inefficient in parameter…

Machine Learning · Computer Science 2020-10-26 Sang-gil Lee , Sungwon Kim , Sungroh Yoon

The sampling of probability distributions specified up to a normalization constant is an important problem in both machine learning and statistical mechanics. While classical stochastic sampling methods such as Markov Chain Monte Carlo…

Machine Learning · Statistics 2020-10-27 Hao Wu , Jonas Köhler , Frank Noé

We introduce manifold-learning flows (M-flows), a new class of generative models that simultaneously learn the data manifold as well as a tractable probability density on that manifold. Combining aspects of normalizing flows, GANs,…

Machine Learning · Statistics 2020-11-16 Johann Brehmer , Kyle Cranmer

Generative models, particularly normalizing flows, have shown exceptional performance in learning probability distributions across various domains of physics, including statistical mechanics, collider physics, and lattice field theory. In…

Strongly Correlated Electrons · Physics 2025-01-14 Dominic Schuh , Janik Kreit , Evan Berkowitz , Lena Funcke , Thomas Luu , Kim A. Nicoli , Marcel Rodekamp

Recent work shows that path gradient estimators for normalizing flows have lower variance compared to standard estimators for variational inference, resulting in improved training. However, they are often prohibitively more expensive from a…

Machine Learning · Computer Science 2024-03-26 Lorenz Vaitl , Ludwig Winkler , Lorenz Richter , Pan Kessel

Deep Neural Networks (DNNs) have recently been achieving state-of-the-art performance on a variety of computer vision related tasks. However, their computational cost limits their ability to be implemented in embedded systems with…

Computer Vision and Pattern Recognition · Computer Science 2020-08-26 Laurent Dillard , Yosuke Shinya , Taiji Suzuki

An adaptive sampling approach for efficient detection of bifurcation boundaries in parametrized fluid flow problems is presented herein. The study extends the machine-learning approach of Silvester~(J. Comput. Phys., 553 (2026), 114743),…

Fluid Dynamics · Physics 2026-02-19 Anshima Singh , David J. Silvester

We present an alternative to reweighting techniques for modifying distributions to account for a desired change in an underlying conditional distribution, as is often needed to correct for mis-modelling in a simulated sample. We employ…

High Energy Physics - Phenomenology · Physics 2023-05-01 Malte Algren , Tobias Golling , Manuel Guth , Chris Pollard , John Andrew Raine

Collecting real-world optical flow datasets is a formidable challenge due to the high cost of labeling. A shortage of datasets significantly constrains the real-world performance of optical flow models. Building virtual datasets that…

Computer Vision and Pattern Recognition · Computer Science 2023-12-29 Miaojie Feng , Longliang Liu , Hao Jia , Gangwei Xu , Xin Yang

Normalizing flows are a powerful tool to create flexible probability distributions with a wide range of potential applications in cosmology. Here we are studying normalizing flows which represent cosmological observables at field level,…

Cosmology and Nongalactic Astrophysics · Physics 2021-05-26 Adam Rouhiainen , Utkarsh Giri , Moritz Münchmeyer

Domain adaptation is the supervised learning setting in which the training and test data are sampled from different distributions: training data is sampled from a source domain, whilst test data is sampled from a target domain. This paper…

Machine Learning · Statistics 2016-10-21 Wouter M. Kouw , Jesse H. Krijthe , Marco Loog , Laurens J. P. van der Maaten