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Equivariant diffusion models have achieved impressive performance in 3D molecule generation. These models incorporate Euclidean symmetries of 3D molecules by utilizing an SE(3)-equivariant denoising network. However, specialized equivariant…

Machine Learning · Computer Science 2025-07-01 Yuhui Ding , Thomas Hofmann

Recent work incorporating geometric ideas in Markov chain Monte Carlo is reviewed in order to highlight these advances and their possible application in a range of domains beyond Statistics. A full exposition of Markov chains and their use…

Computation · Statistics 2015-06-19 Samuel Livingstone , Mark Girolami

We consider the two- (2D) and three-dimensional (3D) Ising model on a square lattice at the critical temperature $T_c$, under Monte-Carlo spin flip dynamics. The bulk magnetisation and the magnetisation of a tagged line in the 2D Ising…

Statistical Mechanics · Physics 2018-07-20 Wei Zhong , Debabrata Panja , Gerard T. Barkema , Robin C. Ball

We derive an exact duality transformation for pure non-Abelian gauge theory regularized on a lattice. The duality transformation can be applied to gauge theory with an arbitrary compact Lie group G as the gauge group and on Euclidean…

High Energy Physics - Theory · Physics 2008-11-26 Robert Oeckl , Hendryk Pfeiffer

We present a new class of equivariant neural networks, hereby dubbed Lattice-Equivariant Neural Networks (LENNs), designed to satisfy local symmetries of a lattice structure. Our approach develops within a recently introduced framework…

Computational Physics · Physics 2025-04-30 Giulio Ortali , Alessandro Gabbana , Imre Atmodimedjo , Alessandro Corbetta

We address the problem of simulating efficiently from the posterior distribution over the parameters of a particular class of nonlinear regression models using a Langevin-Metropolis sampler. It is shown that as the number N of parameters…

Probability · Mathematics 2007-05-23 Laird Arnault Breyer , Mauro Piccioni , Sergio Scarlatti

We construct a manifestly gauge invariant Lagrangian in 3+1 dimensions for N Kaluza-Klein modes of an SU(m) gauge theory in the bulk. For example, if the bulk is 4+1, the effective theory is \Pi_{i=1}^{N+1} SU(m)_i with N chiral (\bar{m},m)…

High Energy Physics - Theory · Physics 2009-11-07 Christopher T. Hill , Stefan Pokorski , Jing Wang

We consider the problem of sampling distributions stemming from non-convex potentials with Unadjusted Langevin Algorithm (ULA). We prove the stability of the discrete-time ULA to drift approximations under the assumption that the potential…

Machine Learning · Statistics 2025-09-01 Marien Renaud , Valentin De Bortoli , Arthur Leclaire , Nicolas Papadakis

We investigate lattice simulations of scalar and nonabelian gauge fields in Minkowski space-time. For SU(2) gauge-theory expectation values of link variables in 3+1 dimensions are constructed by a stochastic process in an additional (5th)…

High Energy Physics - Lattice · Physics 2008-11-26 J. Berges , Sz. Borsanyi , D. Sexty , I. -O. Stamatescu

We construct lattice gauge theories in which the elements of the link matrices are represented by non-commuting operators acting in a Hilbert space. These quantum link models are related to ordinary lattice gauge theories in the same way as…

High Energy Physics - Lattice · Physics 2015-06-25 S. Chandrasekharan , U. -J. Wiese

Normalizing flows are a widely used class of latent-variable generative models with a tractable likelihood. Affine-coupling (Dinh et al, 2014-16) models are a particularly common type of normalizing flows, for which the Jacobian of the…

Machine Learning · Computer Science 2021-07-08 Holden Lee , Chirag Pabbaraju , Anish Sevekari , Andrej Risteski

Building on the principle of combinatorial gauge symmetry, lattice gauge theories can be formulated with only one- and two-body interactions that ensure the exact realization of the symmetry rather than its approximate emergence in a…

Strongly Correlated Electrons · Physics 2024-11-07 Hongji Yu , Dmitry Green , Claudio Chamon

Energy-based models (EBMs) are generative models inspired by statistical physics with a wide range of applications in unsupervised learning. Their performance is best measured by the cross-entropy (CE) of the model distribution relative to…

Machine Learning · Computer Science 2023-12-14 Davide Carbone , Mengjian Hua , Simon Coste , Eric Vanden-Eijnden

Gauge fixing is an essential step in lattice QCD calculations, particularly for studying gauge-dependent observables. Traditional iterative algorithms are computationally expensive and often suffer from critical slowing down and scaling…

High Energy Physics - Lattice · Physics 2026-03-05 Ho Hsiao , Benjamin J. Choi , Hiroshi Ohno , Akio Tomiya

For linear and fully non-linear diffusion equations of Bellman-Isaacs type, we introduce a class of approximation schemes based on differencing and interpolation. As opposed to classical numerical methods, these schemes work for general…

Numerical Analysis · Mathematics 2014-05-26 Kristian Debrabant , Espen R. Jakobsen

We propose a Transformer neural network architecture specifically designed for lattice QCD, focusing on preserving the fundamental symmetries required in lattice gauge theory. The proposed architecture is gauge covariant/equivariant,…

High Energy Physics - Lattice · Physics 2025-01-29 Yuki Nagai , Hiroshi Ohno , Akio Tomiya

We investigate a weighted Multilevel Richardson-Romberg extrapolation for the ergodic approximation of invariant distributions of diffusions adapted from the one introduced in~[Lemaire-Pag\`es, 2013] for regular Monte Carlo simulation. In a…

Probability · Mathematics 2016-07-05 Gilles Pagès , Fabien Panloup

Langevin dynamics are widely used in sampling high-dimensional, non-Gaussian distributions whose densities are known up to a normalizing constant. In particular, there is strong interest in unadjusted Langevin algorithms (ULA), which…

Methodology · Statistics 2024-10-24 Benjamin J. Zhang , Youssef M. Marzouk , Konstantinos Spiliopoulos

The crucial role played by the underlying symmetries of high energy physics and lattice field theories calls for the implementation of such symmetries in the neural network architectures that are applied to the physical system under…

High Energy Physics - Lattice · Physics 2022-02-16 Srinath Bulusu , Matteo Favoni , Andreas Ipp , David I. Müller , Daniel Schuh

The gradient flow in non-abelian gauge theories on R^4 is defined by a local diffusion equation that evolves the gauge field as a function of the flow time in a gauge-covariant manner. Similarly to the case of the Langevin equation, the…

High Energy Physics - Theory · Physics 2011-02-18 Martin Lüscher , Peter Weisz
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