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A cautionary tale for machine learning generated configurations in presence of a conserved quantity

We investigate the performance of machine learning algorithms trained exclusively with configurations obtained from importance sampling Monte Carlo simulations of the two-dimensional Ising model with conserved magnetization. For supervised machine learning, we use convolutional neural networks and f...

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Detalles Bibliográficos
Autores principales: Azizi, Ahmadreza, Pleimling, Michel
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Nature Publishing Group UK 2021
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7973807/
https://www.ncbi.nlm.nih.gov/pubmed/33737630
http://dx.doi.org/10.1038/s41598-021-85683-8
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author Azizi, Ahmadreza
Pleimling, Michel
author_facet Azizi, Ahmadreza
Pleimling, Michel
author_sort Azizi, Ahmadreza
collection PubMed
description We investigate the performance of machine learning algorithms trained exclusively with configurations obtained from importance sampling Monte Carlo simulations of the two-dimensional Ising model with conserved magnetization. For supervised machine learning, we use convolutional neural networks and find that the corresponding output not only allows to locate the phase transition point with high precision, it also displays a finite-size scaling characterized by an Ising critical exponent. For unsupervised learning, restricted Boltzmann machines (RBM) are trained to generate new configurations that are then used to compute various quantities. We find that RBM generates configurations with magnetizations and energies forbidden in the original physical system. The RBM generated configurations result in energy density probability distributions with incorrect weights as well as in wrong spatial correlations. We show that shortcomings are also encountered when training RBM with configurations obtained from the non-conserved Ising model.
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spelling pubmed-79738072021-03-19 A cautionary tale for machine learning generated configurations in presence of a conserved quantity Azizi, Ahmadreza Pleimling, Michel Sci Rep Article We investigate the performance of machine learning algorithms trained exclusively with configurations obtained from importance sampling Monte Carlo simulations of the two-dimensional Ising model with conserved magnetization. For supervised machine learning, we use convolutional neural networks and find that the corresponding output not only allows to locate the phase transition point with high precision, it also displays a finite-size scaling characterized by an Ising critical exponent. For unsupervised learning, restricted Boltzmann machines (RBM) are trained to generate new configurations that are then used to compute various quantities. We find that RBM generates configurations with magnetizations and energies forbidden in the original physical system. The RBM generated configurations result in energy density probability distributions with incorrect weights as well as in wrong spatial correlations. We show that shortcomings are also encountered when training RBM with configurations obtained from the non-conserved Ising model. Nature Publishing Group UK 2021-03-18 /pmc/articles/PMC7973807/ /pubmed/33737630 http://dx.doi.org/10.1038/s41598-021-85683-8 Text en © The Author(s) 2021 Open AccessThis article is licensed under a Creative Commons Attribution 4.0 International License, which permits use, sharing, adaptation, distribution and reproduction in any medium or format, as long as you give appropriate credit to the original author(s) and the source, provide a link to the Creative Commons licence, and indicate if changes were made. The images or other third party material in this article are included in the article's Creative Commons licence, unless indicated otherwise in a credit line to the material. If material is not included in the article's Creative Commons licence and your intended use is not permitted by statutory regulation or exceeds the permitted use, you will need to obtain permission directly from the copyright holder. To view a copy of this licence, visit http://creativecommons.org/licenses/by/4.0/.
spellingShingle Article
Azizi, Ahmadreza
Pleimling, Michel
A cautionary tale for machine learning generated configurations in presence of a conserved quantity
title A cautionary tale for machine learning generated configurations in presence of a conserved quantity
title_full A cautionary tale for machine learning generated configurations in presence of a conserved quantity
title_fullStr A cautionary tale for machine learning generated configurations in presence of a conserved quantity
title_full_unstemmed A cautionary tale for machine learning generated configurations in presence of a conserved quantity
title_short A cautionary tale for machine learning generated configurations in presence of a conserved quantity
title_sort cautionary tale for machine learning generated configurations in presence of a conserved quantity
topic Article
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7973807/
https://www.ncbi.nlm.nih.gov/pubmed/33737630
http://dx.doi.org/10.1038/s41598-021-85683-8
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