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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...
Autores principales: | , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
Nature Publishing Group UK
2021
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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. |
format | Online Article Text |
id | pubmed-7973807 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2021 |
publisher | Nature Publishing Group UK |
record_format | MEDLINE/PubMed |
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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