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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2021-06-01
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Online Access: | https://doi.org/10.1038/s41598-021-92278-w |
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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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