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Main Authors: Ye, Dongwei, Yan, Weihao, Brune, Christoph, Guo, Mengwu
Format: Preprint
Published: 2023
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Online Access:https://arxiv.org/abs/2305.11586
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author Ye, Dongwei
Yan, Weihao
Brune, Christoph
Guo, Mengwu
author_facet Ye, Dongwei
Yan, Weihao
Brune, Christoph
Guo, Mengwu
contents Gaussian process regression is widely applied in computational science and engineering for surrogate modeling owning to its kernel-based and probabilistic nature. In this work, we propose a Bayesian approach that integrates the variability of input data into the Gaussian process regression for function and partial differential equation approximation. Leveraging two types of observables -- noise-corrupted outputs with certain inputs and those with prior-distribution-defined uncertain inputs, a posterior distribution of uncertain inputs is estimated via Bayesian inference. Thereafter, such quantified uncertainties of inputs are incorporated into Gaussian process predictions by means of marginalization. The setting of two types of data aligned with common scenarios of constructing surrogate models for the solutions of partial differential equations, where the data of boundary conditions and initial conditions are typically known while the data of solution may involve uncertainties due to the measurement or stochasticity. The effectiveness of the proposed method is demonstrated through several numerical examples including multiple one-dimensional functions, the heat equation and Allen-Cahn equation. A consistently good performance of generalization is observed, and a substantial reduction in the predictive uncertainties is achieved by the Bayesian inference of uncertain inputs.
format Preprint
id arxiv_https___arxiv_org_abs_2305_11586
institution arXiv
publishDate 2023
record_format arxiv
spellingShingle PDE-constrained Gaussian process surrogate modeling with uncertain data locations
Ye, Dongwei
Yan, Weihao
Brune, Christoph
Guo, Mengwu
Machine Learning
Computational Engineering, Finance, and Science
Gaussian process regression is widely applied in computational science and engineering for surrogate modeling owning to its kernel-based and probabilistic nature. In this work, we propose a Bayesian approach that integrates the variability of input data into the Gaussian process regression for function and partial differential equation approximation. Leveraging two types of observables -- noise-corrupted outputs with certain inputs and those with prior-distribution-defined uncertain inputs, a posterior distribution of uncertain inputs is estimated via Bayesian inference. Thereafter, such quantified uncertainties of inputs are incorporated into Gaussian process predictions by means of marginalization. The setting of two types of data aligned with common scenarios of constructing surrogate models for the solutions of partial differential equations, where the data of boundary conditions and initial conditions are typically known while the data of solution may involve uncertainties due to the measurement or stochasticity. The effectiveness of the proposed method is demonstrated through several numerical examples including multiple one-dimensional functions, the heat equation and Allen-Cahn equation. A consistently good performance of generalization is observed, and a substantial reduction in the predictive uncertainties is achieved by the Bayesian inference of uncertain inputs.
title PDE-constrained Gaussian process surrogate modeling with uncertain data locations
topic Machine Learning
Computational Engineering, Finance, and Science
url https://arxiv.org/abs/2305.11586