Cargando…

Parsimonious neural networks learn interpretable physical laws

Machine learning is playing an increasing role in the physical sciences and significant progress has been made towards embedding domain knowledge into models. Less explored is its use to discover interpretable physical laws from data. We propose parsimonious neural networks (PNNs) that combine neura...

Descripción completa

Detalles Bibliográficos
Autores principales: Desai, Saaketh, Strachan, Alejandro
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Nature Publishing Group UK 2021
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8211802/
https://www.ncbi.nlm.nih.gov/pubmed/34140609
http://dx.doi.org/10.1038/s41598-021-92278-w
_version_ 1783709545032318976
author Desai, Saaketh
Strachan, Alejandro
author_facet Desai, Saaketh
Strachan, Alejandro
author_sort Desai, Saaketh
collection PubMed
description Machine learning is playing an increasing role in the physical sciences and significant progress has been made towards embedding domain knowledge into models. Less explored is its use to discover interpretable physical laws from data. We propose parsimonious neural networks (PNNs) that combine neural networks with evolutionary optimization to find models that balance accuracy with parsimony. The power and versatility of the approach is demonstrated by developing models for classical mechanics and to predict the melting temperature of materials from fundamental properties. In the first example, the resulting PNNs are easily interpretable as Newton’s second law, expressed as a non-trivial time integrator that exhibits time-reversibility and conserves energy, where the parsimony is critical to extract underlying symmetries from the data. In the second case, the PNNs not only find the celebrated Lindemann melting law, but also new relationships that outperform it in the pareto sense of parsimony vs. accuracy.
format Online
Article
Text
id pubmed-8211802
institution National Center for Biotechnology Information
language English
publishDate 2021
publisher Nature Publishing Group UK
record_format MEDLINE/PubMed
spelling pubmed-82118022021-06-21 Parsimonious neural networks learn interpretable physical laws Desai, Saaketh Strachan, Alejandro Sci Rep Article Machine learning is playing an increasing role in the physical sciences and significant progress has been made towards embedding domain knowledge into models. Less explored is its use to discover interpretable physical laws from data. We propose parsimonious neural networks (PNNs) that combine neural networks with evolutionary optimization to find models that balance accuracy with parsimony. The power and versatility of the approach is demonstrated by developing models for classical mechanics and to predict the melting temperature of materials from fundamental properties. In the first example, the resulting PNNs are easily interpretable as Newton’s second law, expressed as a non-trivial time integrator that exhibits time-reversibility and conserves energy, where the parsimony is critical to extract underlying symmetries from the data. In the second case, the PNNs not only find the celebrated Lindemann melting law, but also new relationships that outperform it in the pareto sense of parsimony vs. accuracy. Nature Publishing Group UK 2021-06-17 /pmc/articles/PMC8211802/ /pubmed/34140609 http://dx.doi.org/10.1038/s41598-021-92278-w Text en © The Author(s) 2021 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 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/ (https://creativecommons.org/licenses/by/4.0/) .
spellingShingle Article
Desai, Saaketh
Strachan, Alejandro
Parsimonious neural networks learn interpretable physical laws
title Parsimonious neural networks learn interpretable physical laws
title_full Parsimonious neural networks learn interpretable physical laws
title_fullStr Parsimonious neural networks learn interpretable physical laws
title_full_unstemmed Parsimonious neural networks learn interpretable physical laws
title_short Parsimonious neural networks learn interpretable physical laws
title_sort parsimonious neural networks learn interpretable physical laws
topic Article
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8211802/
https://www.ncbi.nlm.nih.gov/pubmed/34140609
http://dx.doi.org/10.1038/s41598-021-92278-w
work_keys_str_mv AT desaisaaketh parsimoniousneuralnetworkslearninterpretablephysicallaws
AT strachanalejandro parsimoniousneuralnetworkslearninterpretablephysicallaws