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Stochastic representation of many-body quantum states

The quantum many-body problem is ultimately a curse of dimensionality: the state of a system with many particles is determined by a function with many dimensions, which rapidly becomes difficult to efficiently store, evaluate and manipulate numerically. On the other hand, modern machine learning mod...

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Autores principales: Atanasova, Hristiana, Bernheimer, Liam, Cohen, Guy
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Nature Publishing Group UK 2023
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10276005/
https://www.ncbi.nlm.nih.gov/pubmed/37328458
http://dx.doi.org/10.1038/s41467-023-39244-4
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author Atanasova, Hristiana
Bernheimer, Liam
Cohen, Guy
author_facet Atanasova, Hristiana
Bernheimer, Liam
Cohen, Guy
author_sort Atanasova, Hristiana
collection PubMed
description The quantum many-body problem is ultimately a curse of dimensionality: the state of a system with many particles is determined by a function with many dimensions, which rapidly becomes difficult to efficiently store, evaluate and manipulate numerically. On the other hand, modern machine learning models like deep neural networks can express highly correlated functions in extremely large-dimensional spaces, including those describing quantum mechanical problems. We show that if one represents wavefunctions as a stochastically generated set of sample points, the problem of finding ground states can be reduced to one where the most technically challenging step is that of performing regression—a standard supervised learning task. In the stochastic representation the (anti)symmetric property of fermionic/bosonic wavefunction can be used for data augmentation and learned rather than explicitly enforced. We further demonstrate that propagation of an ansatz towards the ground state can then be performed in a more robust and computationally scalable fashion than traditional variational approaches allow.
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spelling pubmed-102760052023-06-18 Stochastic representation of many-body quantum states Atanasova, Hristiana Bernheimer, Liam Cohen, Guy Nat Commun Article The quantum many-body problem is ultimately a curse of dimensionality: the state of a system with many particles is determined by a function with many dimensions, which rapidly becomes difficult to efficiently store, evaluate and manipulate numerically. On the other hand, modern machine learning models like deep neural networks can express highly correlated functions in extremely large-dimensional spaces, including those describing quantum mechanical problems. We show that if one represents wavefunctions as a stochastically generated set of sample points, the problem of finding ground states can be reduced to one where the most technically challenging step is that of performing regression—a standard supervised learning task. In the stochastic representation the (anti)symmetric property of fermionic/bosonic wavefunction can be used for data augmentation and learned rather than explicitly enforced. We further demonstrate that propagation of an ansatz towards the ground state can then be performed in a more robust and computationally scalable fashion than traditional variational approaches allow. Nature Publishing Group UK 2023-06-16 /pmc/articles/PMC10276005/ /pubmed/37328458 http://dx.doi.org/10.1038/s41467-023-39244-4 Text en © The Author(s) 2023 https://creativecommons.org/licenses/by/4.0/Open Access This 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 license, and indicate if changes were made. The images or other third party material in this article are included in the article’s Creative Commons license, unless indicated otherwise in a credit line to the material. If material is not included in the article’s Creative Commons license 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 license, visit http://creativecommons.org/licenses/by/4.0/ (https://creativecommons.org/licenses/by/4.0/) .
spellingShingle Article
Atanasova, Hristiana
Bernheimer, Liam
Cohen, Guy
Stochastic representation of many-body quantum states
title Stochastic representation of many-body quantum states
title_full Stochastic representation of many-body quantum states
title_fullStr Stochastic representation of many-body quantum states
title_full_unstemmed Stochastic representation of many-body quantum states
title_short Stochastic representation of many-body quantum states
title_sort stochastic representation of many-body quantum states
topic Article
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10276005/
https://www.ncbi.nlm.nih.gov/pubmed/37328458
http://dx.doi.org/10.1038/s41467-023-39244-4
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