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Main Authors: Eichhorn, Timo, Fuwa, Gianluca, Hoelbling, Christian, Varnhorst, Lukas
Format: Preprint
Published: 2023
Subjects:
Online Access:https://arxiv.org/abs/2307.04742
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author Eichhorn, Timo
Fuwa, Gianluca
Hoelbling, Christian
Varnhorst, Lukas
author_facet Eichhorn, Timo
Fuwa, Gianluca
Hoelbling, Christian
Varnhorst, Lukas
contents At fine lattice spacings, Markov chain Monte Carlo simulations of QCD and other gauge theories with or without fermions are plagued by slow modes that give rise to large autocorrelation times. This can lead to simulation runs that are effectively stuck in one topological sector, a problem known as topological freezing. Here, we demonstrate that for a relevant set of parameters, Metadynamics can be used to unfreeze 4-dimensional SU(3) gauge theory. However, compared to local update algorithms and the Hybrid Monte Carlo algorithm, the computational overhead is significant in pure gauge theory, and the required reweighting procedure may considerably reduce the effective sample size. To deal with the latter problem, we propose modifications to the Metadynamics bias potential and the combination of Metadynamics with parallel tempering. We test the new algorithm in 4-dimensional SU(3) gauge theory and find that it can achieve topological unfreezing without compromising the effective sample size, thereby reducing the autocorrelation times of topological observables by at least two orders of magnitude compared to conventional update algorithms. Additionally, we observe significantly improved scaling of autocorrelation times with the lattice spacing in 2-dimensional U(1) gauge theory.
format Preprint
id arxiv_https___arxiv_org_abs_2307_04742
institution arXiv
publishDate 2023
record_format arxiv
spellingShingle Parallel Tempered Metadynamics: Overcoming potential barriers without surfing or tunneling
Eichhorn, Timo
Fuwa, Gianluca
Hoelbling, Christian
Varnhorst, Lukas
High Energy Physics - Lattice
At fine lattice spacings, Markov chain Monte Carlo simulations of QCD and other gauge theories with or without fermions are plagued by slow modes that give rise to large autocorrelation times. This can lead to simulation runs that are effectively stuck in one topological sector, a problem known as topological freezing. Here, we demonstrate that for a relevant set of parameters, Metadynamics can be used to unfreeze 4-dimensional SU(3) gauge theory. However, compared to local update algorithms and the Hybrid Monte Carlo algorithm, the computational overhead is significant in pure gauge theory, and the required reweighting procedure may considerably reduce the effective sample size. To deal with the latter problem, we propose modifications to the Metadynamics bias potential and the combination of Metadynamics with parallel tempering. We test the new algorithm in 4-dimensional SU(3) gauge theory and find that it can achieve topological unfreezing without compromising the effective sample size, thereby reducing the autocorrelation times of topological observables by at least two orders of magnitude compared to conventional update algorithms. Additionally, we observe significantly improved scaling of autocorrelation times with the lattice spacing in 2-dimensional U(1) gauge theory.
title Parallel Tempered Metadynamics: Overcoming potential barriers without surfing or tunneling
topic High Energy Physics - Lattice
url https://arxiv.org/abs/2307.04742