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Data-driven Whitney forms for structure-preserving control volume analysis

Journal of Computational Physics

Actor, Jonas A.; Roberts, Scott A.; Huang, Andy H.; Trask, Nathaniel; Hu, Xiaozhe

Control volume analysis models physics via the exchange of generalized fluxes between subdomains. We introduce a scientific machine learning framework adopting a partition of unity architecture to identify physically-relevant control volumes, with generalized fluxes between subdomains encoded via Whitney forms. The approach provides a differentiable parameterization of geometry which may be trained in an end-to-end fashion to extract reduced models from full field data while exactly preserving physics. The architecture admits a data-driven finite element exterior calculus allowing discovery of mixed finite element spaces with closed form quadrature rules. An equivalence between Whitney forms and graph networks reveals that the geometric problem of control volume learning is equivalent to an unsupervised graph discovery problem. The framework is developed for manifolds in arbitrary dimension, with examples provided for H(div) problems in R2 establishing convergence and structure preservation properties. Finally, we consider a lithium-ion battery problem where we discover a reduced finite element space encoding transport pathways from high-fidelity microstructure resolved simulations. The approach reduces the 5.89M finite element simulation to 136 elements while reproducing pressure to under 0.1% error and preserving conservation.

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Polynomial-Spline Networks with Exact Integrals and Convergence Rates

Proceedings of the 2022 IEEE Symposium Series on Computational Intelligence, SSCI 2022

Actor, Jonas A.; Huang, Andy H.; Trask, Nathaniel A.

Using neural networks to solve variational problems, and other scientific machine learning tasks, has been limited by a lack of consistency and an inability to exactly integrate expressions involving neural network architectures. We address these limitations by formulating a polynomial-spline network, a novel shallow multilinear perceptron (MLP) architecture incorporating free knot B-spline basis functions into a polynomial mixture-of-experts model. Effectively, our architecture performs piecewise polynomial approximation on each cell of a trainable partition of unity while ensuring the MLP and its derivatives can be integrated exactly, obviating a reliance on sampling or quadrature and enabling error-free computation of variational forms. We demonstrate hp-convergence for regression problems at convergence rates expected from approximation theory and solve elliptic problems in one and two dimensions, with a favorable comparison to adaptive finite elements.

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8 Results
8 Results