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Title: Conditional Karhunen–Loève regression model with Basis Adaptation for high-dimensional problems: Uncertainty quantification and inverse modeling

Journal Article · · Computer Methods in Applied Mechanics and Engineering

Here, we propose a methodology for improving the accuracy of surrogate models of the observable response of physical systems as a function of the systems’ spatially heterogeneous parameter fields, with applications to uncertainty quantification and parameter estimation in high-dimensional problems. Practitioners often formulate finite-dimensional representations of spatially heterogeneous parameter fields using truncated unconditional Karhunen–Loève expansions (KLEs) for a certain choice of unconditional covariance kernel and construct surrogate models of the observable response with respect to the KLE coefficients. When direct measurements of the parameter fields are available, we propose improving the accuracy of these surrogate models by representing the parameter fields via conditional Karhunen-Loève expansions (CKLEs). CKLEs are constructed by conditioning the covariance kernel of the unconditional expansion on the direct measurements of the parameter field via Gaussian process regression, and then truncating the corresponding KLE. We apply the proposed methodology to constructing surrogate models via the Basis Adaptation (BA) method of the stationary hydraulic head response, measured at spatially discrete observation locations, of a groundwater flow model of the Hanford Site, as a function of the 1000-dimensional representation of the model’s log-transmissivity field. We find that BA surrogate models of the hydraulic head based on CKLEs are more accurate than BA surrogate models based on unconditional expansions for forward uncertainty quantification tasks. Furthermore, we find that inverse estimates of the hydraulic transmissivity field computed using CKLE-based BA surrogate models are more accurate than those computed using unconditional BA surrogate models.

Research Organization:
Pacific Northwest National Laboratory (PNNL), Richland, WA (United States)
Sponsoring Organization:
USDOE Office of Science (SC), Advanced Scientific Computing Research (ASCR)
Grant/Contract Number:
AC05-76RL01830
OSTI ID:
2283182
Alternate ID(s):
OSTI ID: 2202516
Report Number(s):
PNNL-SA-186970
Journal Information:
Computer Methods in Applied Mechanics and Engineering, Vol. 418; ISSN 0045-7825
Publisher:
ElsevierCopyright Statement
Country of Publication:
United States
Language:
English

References (25)

Deep UQ: Learning deep neural network surrogate models for high dimensional uncertainty quantification journal December 2018
Physics‐Informed Machine Learning Method for Large‐Scale Data Assimilation Problems journal May 2022
Pilot points method incorporating prior information for solving the groundwater flow inverse problem journal November 2006
Inverse regression-based uncertainty quantification algorithms for high-dimensional models: Theory and practice journal September 2016
Sliced Inverse Regression for Dimension Reduction journal June 1991
Physics‐Informed Neural Network Method for Forward and Backward Advection‐Dispersion Equations journal July 2021
Physics-informed neural networks: A deep learning framework for solving forward and inverse problems involving nonlinear partial differential equations journal February 2019
Convergence study of the truncated Karhunen–Loeve expansion for simulation of stochastic processes journal November 2001
Uncertainty quantification in scientific machine learning: Methods, metrics, and comparisons journal March 2023
A weighted -minimization approach for sparse polynomial chaos expansions journal June 2014
B-PINNs: Bayesian physics-informed neural networks for forward and inverse PDE problems with noisy data journal January 2021
Interactively Cutting and Constraining Vertices in Meshes Using Augmented Matrices journal May 2016
Stochastic Basis Adaptation and Spatial Domain Decomposition for Partial Differential Equations with Random Coefficients journal January 2018
Basis adaptation and domain decomposition for steady-state partial differential equations with random coefficients journal December 2017
A Subspace, Interior, and Conjugate Gradient Method for Large-Scale Bound-Constrained Minimization Problems journal January 1999
Physics-informed machine learning with conditional Karhunen-Loève expansions journal February 2021
Surrogate modeling of high-dimensional problems via data-driven polynomial chaos expansions and sparse partial least square journal June 2020
Dimensionality Reduction in Surrogate Modeling: A Review of Combined Methods journal August 2022
Fully symmetric interpolatory rules for multiple integrals over infinite regions with Gaussian weight journal July 1996
Nonlinear Dimension Reduction with Kernel Sliced Inverse Regression journal November 2009
Polynomial chaos expansion for surrogate modelling: Theory and software journal September 2018
Accelerated basis adaptation in homogeneous chaos spaces journal December 2021
Conditional Karhunen-Loève expansion for uncertainty quantification and active learning in partial differential equation models journal October 2020
Application of the pilot point method to the identification of aquifer transmissivities journal October 1991
Basis adaptation in homogeneous chaos spaces journal February 2014