An Iterative Scientific Machine Learning Approach for Discovery of Theories Underlying Physical Phenomena

Form a pure mathematical point of view, common functional forms representing different physical phenomena can be defined. For example, rates of chemical reactions, diffusion and heat transfer are all governed by exponential-type expressions. If machine learning is used for physical problems, inferre...

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Bibliographic Details
Published in:arXiv.org 2019-09
Main Authors: Zobeiry, Navid, Humfeld, Keith D
Format: Article
Language:English
Subjects:
Artificial intelligence
Chemical reactions
Correlation analysis
Data points
Diffusion rate
Iterative methods
Machine learning
Neural networks
Organic chemistry
Training
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Summary:Form a pure mathematical point of view, common functional forms representing different physical phenomena can be defined. For example, rates of chemical reactions, diffusion and heat transfer are all governed by exponential-type expressions. If machine learning is used for physical problems, inferred from domain knowledge, original features can be transformed in such a way that the end expressions are highly aligned and correlated with the underlying physics. This should significantly reduce the training effort in terms of iterations, architecture and the number of required data points. We extend this by approaching a problem from an agnostic position and propose a systematic and iterative methodology to discover theories underlying physical phenomena. At first, commonly observed functional forms of theoretical expressions are used to transform original features before conducting correlation analysis to output. Using random combinations of highly correlated expressions, training of Neural Networks (NN) are performed. By comparing the rates of convergence or mean error in training, expressions describing the underlying physical problems can be discovered, leading to extracting explicit analytic equations. This approach was used in three blind demonstrations for different physical phenomena.
ISSN:2331-8422