Parsimonious neural networks learn interpretable physical laws

Abstract 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 comb...

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Main Authors: Saaketh Desai, Alejandro Strachan
Format: Article
Language:English
Published: Nature Publishing Group 2021-06-01
Series:Scientific Reports
Online Access:https://doi.org/10.1038/s41598-021-92278-w
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spelling doaj-7b24e1e0a740421f8df33a3f6cfc30682021-06-20T11:37:05ZengNature Publishing GroupScientific Reports2045-23222021-06-011111910.1038/s41598-021-92278-wParsimonious neural networks learn interpretable physical lawsSaaketh Desai0Alejandro Strachan1School of Materials Engineering and Birck Nanotechnology Center, Purdue UniversitySchool of Materials Engineering and Birck Nanotechnology Center, Purdue UniversityAbstract 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.https://doi.org/10.1038/s41598-021-92278-w
collection DOAJ
language English
format Article
sources DOAJ
author Saaketh Desai
Alejandro Strachan
spellingShingle Saaketh Desai
Alejandro Strachan
Parsimonious neural networks learn interpretable physical laws
Scientific Reports
author_facet Saaketh Desai
Alejandro Strachan
author_sort Saaketh Desai
title Parsimonious neural networks learn interpretable physical laws
title_short 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_sort parsimonious neural networks learn interpretable physical laws
publisher Nature Publishing Group
series Scientific Reports
issn 2045-2322
publishDate 2021-06-01
description Abstract 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.
url https://doi.org/10.1038/s41598-021-92278-w
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