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Title: Adversarial uncertainty quantification in physics-informed neural networks

Abstract

Here, we introduce a deep learning framework for quantifying and propagating uncertainty in systems governed by non-linear differential equations using physics-informed neural networks. Specifically, we employ latent variable models to construct probabilistic representations for the system states, and put forth an adversarial inference procedure for training them on data, while constraining their predictions to satisfy given physical laws expressed by partial differential equations. Such physics-informed constraints provide a regularization mechanism for effectively training deep generative models as surrogates of physical systems in which the cost of data acquisition is high, and training data-sets are typically small. This provides a flexible framework for characterizing uncertainty in the outputs of physical systems due to randomness in their inputs or noise in their observations that entirely bypasses the need for repeatedly sampling expensive experiments or numerical simulators. Moreover, we demonstrate the effectiveness of our approach through a series of examples involving uncertainty propagation in non-linear conservation laws, and the discovery of constitutive laws for flow through porous media directly from noisy data.

Authors:
 [1]; ORCiD logo [1]
  1. Univ. of Pennsylvania, Philadelphia, PA (United States)
Publication Date:
Research Org.:
Univ. of Pennsylvania, Philadelphia, PA (United States)
Sponsoring Org.:
USDOE Office of Science (SC), Advanced Scientific Computing Research (ASCR)
OSTI Identifier:
1595802
Alternate Identifier(s):
OSTI ID: 1691928
Grant/Contract Number:  
SC0019116; HR00111890034
Resource Type:
Accepted Manuscript
Journal Name:
Journal of Computational Physics
Additional Journal Information:
Journal Volume: 394; Journal Issue: C; Related Information: https://github.com/PredictiveIntelligenceLab/UQPINNs; Journal ID: ISSN 0021-9991
Publisher:
Elsevier
Country of Publication:
United States
Language:
English
Subject:
97 MATHEMATICS AND COMPUTING; Variational inference; Generative adversarial networks; Probabilistic deep learning; Probabilistic scientific computing; Data-driven modeling

Citation Formats

Yang, Yibo, and Perdikaris, Paris. Adversarial uncertainty quantification in physics-informed neural networks. United States: N. p., 2019. Web. doi:10.1016/j.jcp.2019.05.027.
Yang, Yibo, & Perdikaris, Paris. Adversarial uncertainty quantification in physics-informed neural networks. United States. https://doi.org/10.1016/j.jcp.2019.05.027
Yang, Yibo, and Perdikaris, Paris. Fri . "Adversarial uncertainty quantification in physics-informed neural networks". United States. https://doi.org/10.1016/j.jcp.2019.05.027. https://www.osti.gov/servlets/purl/1595802.
@article{osti_1595802,
title = {Adversarial uncertainty quantification in physics-informed neural networks},
author = {Yang, Yibo and Perdikaris, Paris},
abstractNote = {Here, we introduce a deep learning framework for quantifying and propagating uncertainty in systems governed by non-linear differential equations using physics-informed neural networks. Specifically, we employ latent variable models to construct probabilistic representations for the system states, and put forth an adversarial inference procedure for training them on data, while constraining their predictions to satisfy given physical laws expressed by partial differential equations. Such physics-informed constraints provide a regularization mechanism for effectively training deep generative models as surrogates of physical systems in which the cost of data acquisition is high, and training data-sets are typically small. This provides a flexible framework for characterizing uncertainty in the outputs of physical systems due to randomness in their inputs or noise in their observations that entirely bypasses the need for repeatedly sampling expensive experiments or numerical simulators. Moreover, we demonstrate the effectiveness of our approach through a series of examples involving uncertainty propagation in non-linear conservation laws, and the discovery of constitutive laws for flow through porous media directly from noisy data.},
doi = {10.1016/j.jcp.2019.05.027},
journal = {Journal of Computational Physics},
number = C,
volume = 394,
place = {United States},
year = {Fri May 24 00:00:00 EDT 2019},
month = {Fri May 24 00:00:00 EDT 2019}
}

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Cited by: 130 works
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Works referenced in this record:

Deep learning
journal, May 2015

  • LeCun, Yann; Bengio, Yoshua; Hinton, Geoffrey
  • Nature, Vol. 521, Issue 7553
  • DOI: 10.1038/nature14539

Human-level concept learning through probabilistic program induction
journal, December 2015


Predicting the sequence specificities of DNA- and RNA-binding proteins by deep learning
journal, July 2015

  • Alipanahi, Babak; Delong, Andrew; Weirauch, Matthew T.
  • Nature Biotechnology, Vol. 33, Issue 8
  • DOI: 10.1038/nbt.3300

Hidden physics models: Machine learning of nonlinear partial differential equations
journal, March 2018


A hybrid neural network-first principles approach to process modeling
journal, October 1992


Artificial neural networks for solving ordinary and partial differential equations
journal, January 1998

  • Lagaris, I. E.; Likas, A.; Fotiadis, D. I.
  • IEEE Transactions on Neural Networks, Vol. 9, Issue 5
  • DOI: 10.1109/72.712178

Multiscale modeling and simulation of brain blood flow
journal, February 2016

  • Perdikaris, Paris; Grinberg, Leopold; Karniadakis, George Em
  • Physics of Fluids, Vol. 28, Issue 2
  • DOI: 10.1063/1.4941315

Polynomial Chaos in Stochastic Finite Elements
journal, March 1990

  • Ghanem, Roger; Spanos, P. D.
  • Journal of Applied Mechanics, Vol. 57, Issue 1
  • DOI: 10.1115/1.2888303

The Wiener--Askey Polynomial Chaos for Stochastic Differential Equations
journal, January 2002


Uncertainty Quantification and Polynomial Chaos Techniques in Computational Fluid Dynamics
journal, January 2009


Multi-level Monte Carlo Finite Element method for elliptic PDEs with stochastic coefficients
journal, April 2011

  • Barth, Andrea; Schwab, Christoph; Zollinger, Nathaniel
  • Numerische Mathematik, Vol. 119, Issue 1
  • DOI: 10.1007/s00211-011-0377-0

Optimal Model Management for Multifidelity Monte Carlo Estimation
journal, January 2016

  • Peherstorfer, Benjamin; Willcox, Karen; Gunzburger, Max
  • SIAM Journal on Scientific Computing, Vol. 38, Issue 5
  • DOI: 10.1137/15M1046472

The Proper Orthogonal Decomposition in the Analysis of Turbulent Flows
journal, January 1993


Multi-output local Gaussian process regression: Applications to uncertainty quantification
journal, July 2012


Multi-output separable Gaussian process: Towards an efficient, fully Bayesian paradigm for uncertainty quantification
journal, May 2013

  • Bilionis, Ilias; Zabaras, Nicholas; Konomi, Bledar A.
  • Journal of Computational Physics, Vol. 241
  • DOI: 10.1016/j.jcp.2013.01.011

Multifidelity Information Fusion Algorithms for High-Dimensional Systems and Massive Data sets
journal, January 2016

  • Perdikaris, Paris; Venturi, Daniele; Karniadakis, George Em
  • SIAM Journal on Scientific Computing, Vol. 38, Issue 4
  • DOI: 10.1137/15M1055164

Physics-informed neural networks: A deep learning framework for solving forward and inverse problems involving nonlinear partial differential equations
journal, February 2019


Variational Inference: A Review for Statisticians
journal, July 2016

  • Blei, David M.; Kucukelbir, Alp; McAuliffe, Jon D.
  • Journal of the American Statistical Association, Vol. 112, Issue 518
  • DOI: 10.1080/01621459.2017.1285773

Inferring solutions of differential equations using noisy multi-fidelity data
journal, April 2017

  • Raissi, Maziar; Perdikaris, Paris; Karniadakis, George Em
  • Journal of Computational Physics, Vol. 335
  • DOI: 10.1016/j.jcp.2017.01.060

Numerical Gaussian Processes for Time-Dependent and Nonlinear Partial Differential Equations
journal, January 2018

  • Raissi, Maziar; Perdikaris, Paris; Karniadakis, George Em
  • SIAM Journal on Scientific Computing, Vol. 40, Issue 1
  • DOI: 10.1137/17M1120762

The partial differential equation ut + uux = μxx
journal, September 1950


On the limited memory BFGS method for large scale optimization
journal, August 1989

  • Liu, Dong C.; Nocedal, Jorge
  • Mathematical Programming, Vol. 45, Issue 1-3
  • DOI: 10.1007/BF01589116

Modeling fluid flow and transport in variably saturated porous media with the STOMP simulator. 1. Nonvolatile three-phase model description
journal, January 1995


A Closed-form Equation for Predicting the Hydraulic Conductivity of Unsaturated Soils1
journal, January 1980


The partial differential equation ut + uux = μxx
journal, September 1950


Multiscale modeling and simulation of brain blood flow
journal, February 2016

  • Perdikaris, Paris; Grinberg, Leopold; Karniadakis, George Em
  • Physics of Fluids, Vol. 28, Issue 2
  • DOI: 10.1063/1.4941315

Variational Inference: A Review for Statisticians
journal, July 2016

  • Blei, David M.; Kucukelbir, Alp; McAuliffe, Jon D.
  • Journal of the American Statistical Association, Vol. 112, Issue 518
  • DOI: 10.1080/01621459.2017.1285773

Automatic differentiation in machine learning: a survey
text, January 2015


Probabilistic Numerical Methods for PDE-constrained Bayesian Inverse Problems
text, January 2017


Adversarial Variational Bayes: Unifying Variational Autoencoders and Generative Adversarial Networks
preprint, January 2017


Works referencing / citing this record:

Multiscale Modeling Meets Machine Learning: What Can We Learn?
journal, February 2020

  • Peng, Grace C. Y.; Alber, Mark; Buganza Tepole, Adrian
  • Archives of Computational Methods in Engineering
  • DOI: 10.1007/s11831-020-09405-5

Integrating machine learning and multiscale modeling—perspectives, challenges, and opportunities in the biological, biomedical, and behavioral sciences
journal, November 2019

  • Alber, Mark; Buganza Tepole, Adrian; Cannon, William R.
  • npj Digital Medicine, Vol. 2, Issue 1
  • DOI: 10.1038/s41746-019-0193-y

Multiscale modeling meets machine learning: What can we learn?
preprint, January 2019