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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

In a celebrated paper \cite{noe2019boltzmann}, No\'e, Olsson, K\"ohler and Wu introduced an efficient method for sampling high-dimensional Boltzmann distributions arising in molecular dynamics via normalizing flow approximation of transport…

Machine Learning · Computer Science 2026-03-17 Zia Ur Rehman , Gero Friesecke

We present a machine-learning approach, based on normalizing flows, for modelling atomic solids. Our model transforms an analytically tractable base distribution into the target solid without requiring ground-truth samples for training. We…

Learned field transformations may help address ubiquitous critical slowing down and signal-to-noise problems in lattice field theory. In the context of an annealed sequence of distributions, field transformations are defined by integrating…

High Energy Physics - Lattice · Physics 2026-03-03 Michael S. Albergo , Gurtej Kanwar

Boltzmann Generators have emerged as a promising machine learning tool for generating samples from equilibrium distributions of molecular systems using Normalizing Flows and importance weighting. Recently, Flow Matching has helped speed up…

Machine Learning · Statistics 2025-10-21 Lorenz Vaitl , Leon Klein

Normalizing flows are powerful non-parametric statistical models that function as a hybrid between density estimators and generative models. Current learning algorithms for normalizing flows assume that data points are sampled…

Machine Learning · Computer Science 2023-05-31 Matthias Kirchler , Christoph Lippert , Marius Kloft

The Boltzmann distribution of a protein provides a roadmap to all of its functional states. Normalizing flows are a promising tool for modeling this distribution, but current methods are intractable for typical pharmacological targets; they…

Machine Learning · Computer Science 2024-01-10 Joseph C. Kim , David Bloore , Karan Kapoor , Jun Feng , Ming-Hong Hao , Mengdi Wang

Normalizing flows provide an elegant approach to generative modeling that allows for efficient sampling and exact density evaluation of unknown data distributions. However, current techniques have significant limitations in their…

Machine Learning · Computer Science 2022-06-22 Sahil Sidheekh , Chris B. Dock , Tushar Jain , Radu Balan , Maneesh K. Singh

Sampling from high-dimensional and structured probability distributions is a fundamental challenge in computational physics, particularly in the context of lattice field theory (LFT), where generating field configurations efficiently is…

Quantum Physics · Physics 2026-02-10 Jehu Martinez , Andrea Delgado

We review the gradient flow for gauge and fermion fields and its applications to lattice gauge theory computations. Using specific examples, we discuss the interplay between perturbative and non-perturbative calculations in the context of…

High Energy Physics - Lattice · Physics 2023-01-19 Andrea Shindler

Gravity inversion is a commonly applied data analysis technique in the field of geophysics. While machine learning methods have previously been explored for the problem of gravity inversion, these are deterministic approaches returning a…

Analytical solutions to the lattice Boltzmann Equation make it possible to study the method itself, explore the properties of its collision operator, and identify implementations of boundary conditions. In this paper, we propose a method to…

Fluid Dynamics · Physics 2025-06-02 Jordan Larson , Alexander J. Wagner

Recent results have demonstrated that samplers constructed with flow-based generative models are a promising new approach for configuration generation in lattice field theory. In this paper, we present a set of training- and…

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

Coupling normalizing flows allow for fast sampling and density evaluation, making them the tool of choice for probabilistic modeling of physical systems. However, the standard coupling architecture precludes endowing flows that operate on…

Bayesian inference with computationally expensive likelihood evaluations remains a significant challenge in many scientific domains. We propose normalizing flow regression (NFR), a novel offline inference method for approximating posterior…

Machine Learning · Statistics 2025-04-17 Chengkun Li , Bobby Huggins , Petrus Mikkola , Luigi Acerbi

Normalizing flows transform a latent distribution through an invertible neural network for a flexible and pleasingly simple approach to generative modelling, while preserving an exact likelihood. We propose FlowGMM, an end-to-end approach…

Machine Learning · Computer Science 2020-01-01 Pavel Izmailov , Polina Kirichenko , Marc Finzi , Andrew Gordon Wilson

We present a flow-based method for simulating and calculating nucleation rates of first-order phase transitions in scalar field theory on a lattice. Motivated by recent advancements in machine learning tools, particularly normalizing flows…

High Energy Physics - Lattice · Physics 2025-05-30 Yang Bai , Ting-Kuo Chen

We show how to compute real space renormalization group flows in lattice field theory by a self-consistent method. In each step, the integration over the fluctuation field (high frequency components of the field) is performed by a saddle…

High Energy Physics - Lattice · Physics 2009-10-28 M. Griessl , G. Mack , G. Palma , Y. Xylander

Subject of this paper is the simplification of Markov chain Monte Carlo sampling as used in Bayesian statistical inference by means of normalising flows, a machine learning method which is able to construct an invertible and differentiable…

Cosmology and Nongalactic Astrophysics · Physics 2025-04-24 Tobias Röspel , Adrian Schlosser , Björn Malte Schäfer