Sequential design for surrogate modeling in Bayesian inverse problems

Fuente: arXiv
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Autores principales: Lartaud, Paul, Humbert, Philippe, Garnier, Josselin
Formato: Preprint
Publicado: 2024
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author Lartaud, Paul
Humbert, Philippe
Garnier, Josselin
author_facet Lartaud, Paul
Humbert, Philippe
Garnier, Josselin
contents Sequential design is a highly active field of research in active learning which provides a general framework for designing computer experiments with limited computational budgets. It aims to create efficient surrogate models to replace complex computer codes. Some sequential design strategies can be understood within the Stepwise Uncertainty Reduction (SUR) framework. In the SUR framework, each new design point is chosen by minimizing the expectation of a metric of uncertainty with respect to the yet unknown new data point. These methods offer an accessible framework for sequential experiment design, including almost sure convergence for common uncertainty functionals. This paper introduces two strategies. The first one, entitled Constraint Set Query (CSQ) is adapted from D-optimal designs where the search space is constrained in a ball for the Mahalanobis distance around the maximum a posteriori. The second, known as the IP-SUR (Inverse Problem SUR) strategy, uses a weighted-integrated mean squared prediction error as the uncertainty metric and is derived from SUR methods. It is tractable for Gaussian process surrogates with continuous sample paths. It comes with a theoretical guarantee for the almost sure convergence of the uncertainty functional. The premises of this work are highlighted in various test cases, in which these two strategies are compared to other sequential designs.
format Preprint
id arxiv_https___arxiv_org_abs_2402_16520
institution arXiv
publishDate 2024
record_format arxiv
spellingShingle Sequential design for surrogate modeling in Bayesian inverse problems
Lartaud, Paul
Humbert, Philippe
Garnier, Josselin
Methodology
Sequential design is a highly active field of research in active learning which provides a general framework for designing computer experiments with limited computational budgets. It aims to create efficient surrogate models to replace complex computer codes. Some sequential design strategies can be understood within the Stepwise Uncertainty Reduction (SUR) framework. In the SUR framework, each new design point is chosen by minimizing the expectation of a metric of uncertainty with respect to the yet unknown new data point. These methods offer an accessible framework for sequential experiment design, including almost sure convergence for common uncertainty functionals. This paper introduces two strategies. The first one, entitled Constraint Set Query (CSQ) is adapted from D-optimal designs where the search space is constrained in a ball for the Mahalanobis distance around the maximum a posteriori. The second, known as the IP-SUR (Inverse Problem SUR) strategy, uses a weighted-integrated mean squared prediction error as the uncertainty metric and is derived from SUR methods. It is tractable for Gaussian process surrogates with continuous sample paths. It comes with a theoretical guarantee for the almost sure convergence of the uncertainty functional. The premises of this work are highlighted in various test cases, in which these two strategies are compared to other sequential designs.
title Sequential design for surrogate modeling in Bayesian inverse problems
topic Methodology
url https://arxiv.org/abs/2402.16520