Skip to main content
U.S. Department of Energy
Office of Scientific and Technical Information

A physics-informed operator regression framework for extracting data-driven continuum models

Journal Article · · Computer Methods in Applied Mechanics and Engineering

The application of deep learning toward discovery of data-driven models requires careful application of inductive biases to obtain a description of physics which is both accurate and robust. We present here a framework for discovering continuum models from high fidelity molecular simulation data. Our approach applies a neural network parameterization of governing physics in modal space, allowing a characterization of differential operators while providing structure which may be used to impose biases related to symmetry, isotropy, and conservation form. Here, we demonstrate the effectiveness of our framework for a variety of physics, including local and nonlocal diffusion processes and single and multiphase flows. For the flow physics we demonstrate this approach leads to a learned operator that generalizes to system characteristics not included in the training sets, such as variable particle sizes, densities, and concentration.

Research Organization:
Sandia National Lab. (SNL-NM), Albuquerque, NM (United States)
Sponsoring Organization:
USDOE Office of Science (SC), Advanced Scientific Computing Research (ASCR); USDOE National Nuclear Security Administration (NNSA)
Grant/Contract Number:
AC04-94AL85000; NA0003525
OSTI ID:
1725869
Alternate ID(s):
OSTI ID: 1776289
Report Number(s):
SAND-2020-5359J; 686274
Journal Information:
Computer Methods in Applied Mechanics and Engineering, Vol. 373; ISSN 0045-7825
Publisher:
ElsevierCopyright Statement
Country of Publication:
United States
Language:
English

References (30)

Rotation-invariant convolutional neural networks for galaxy morphology prediction journal April 2015
Deep learning journal May 2015
Physics-informed machine learning approach for augmenting turbulence models: A comprehensive framework journal July 2018
Distilling Free-Form Natural Laws from Experimental Data journal April 2009
Automated reverse engineering of nonlinear dynamical systems journal June 2007
From diffusion to anomalous diffusion: A century after Einstein’s Brownian motion journal June 2005
Physics-informed neural networks: A deep learning framework for solving forward and inverse problems involving nonlinear partial differential equations journal February 2019
Machine learning strategies for systems with invariance properties journal August 2016
Discovering governing equations from data by sparse identification of nonlinear dynamical systems journal March 2016
Learning in Modal Space: Solving Time-Dependent Stochastic PDEs Using Physics-Informed Neural Networks journal January 2020
Compressive sensing based machine learning strategy for characterizing the flow around a cylinder with limited pressure measurements journal December 2013
PDE-Net 2.0: Learning PDEs from data with a numeric-symbolic hybrid deep network journal December 2019
Data driven governing equations approximation using deep neural networks journal October 2019
Data-driven discovery of partial differential equations journal April 2017
Polymorphic transitions in single crystals: A new molecular dynamics method journal December 1981
Inversion of 3D electromagnetic data in frequency and time domain using an inexact all‐at‐once approach journal September 2004
Incorporation of memory effects in coarse-grained modeling via the Mori-Zwanzig formalism journal December 2015
Data-driven modeling and learning in science and engineering journal November 2019
Transport, Collective Motion, and Brownian Motion journal March 1965
Reversible multiple time scale molecular dynamics journal August 1992
Numerical aspects for approximating governing equations using data journal May 2019
Inverse problems: A Bayesian perspective journal May 2010
Comparison of Reduced- and Full-space Algorithms for PDE-constrained Optimization conference January 2013
Learning data-driven discretizations for partial differential equations journal July 2019
Face recognition: a convolutional neural-network approach journal January 1997
A Newton-CG method for large-scale three-dimensional elastic full-waveform seismic inversion journal May 2008
Data-driven deep learning of partial differential equations in modal space journal May 2020
Effective properties of composite materials with periodic microstructure: a computational approach journal April 1999
Performance and Cost Assessment of Machine Learning Interatomic Potentials journal October 2019
Interaction potentials for soft and hard ellipsoids text January 2003