Goal-Oriented Bayesian Optimal Experimental Design for Nonlinear Models using Markov Chain Monte Carlo

Fuente: arXiv
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Auteurs principaux: Zhong, Shijie, Shen, Wanggang, Catanach, Tommie, Huan, Xun
Format: Preprint
Publié: 2024
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author Zhong, Shijie
Shen, Wanggang
Catanach, Tommie
Huan, Xun
author_facet Zhong, Shijie
Shen, Wanggang
Catanach, Tommie
Huan, Xun
contents Optimal experimental design (OED) provides a systematic approach to quantify and maximize the value of experimental data. Under a Bayesian approach, conventional OED maximizes the expected information gain (EIG) on model parameters. However, we are often interested in not the parameters themselves, but predictive quantities of interest (QoIs) that depend on the parameters in a nonlinear manner. We present a computational framework of predictive goal-oriented OED (GO-OED) suitable for nonlinear observation and prediction models, which seeks the experimental design providing the greatest EIG on the QoIs. In particular, we propose a nested Monte Carlo estimator for the QoI EIG, featuring Markov chain Monte Carlo for posterior sampling and kernel density estimation for evaluating the posterior-predictive density and its Kullback-Leibler divergence from the prior-predictive. The GO-OED design is then found by maximizing the EIG over the design space using Bayesian optimization. We demonstrate the effectiveness of the overall nonlinear GO-OED method, and illustrate its differences versus conventional non-GO-OED, through various test problems and an application of sensor placement for source inversion in a convection-diffusion field.
format Preprint
id arxiv_https___arxiv_org_abs_2403_18072
institution arXiv
publishDate 2024
record_format arxiv
spellingShingle Goal-Oriented Bayesian Optimal Experimental Design for Nonlinear Models using Markov Chain Monte Carlo
Zhong, Shijie
Shen, Wanggang
Catanach, Tommie
Huan, Xun
Computation
Machine Learning
Methodology
62K05, 62F15, 62B15
Optimal experimental design (OED) provides a systematic approach to quantify and maximize the value of experimental data. Under a Bayesian approach, conventional OED maximizes the expected information gain (EIG) on model parameters. However, we are often interested in not the parameters themselves, but predictive quantities of interest (QoIs) that depend on the parameters in a nonlinear manner. We present a computational framework of predictive goal-oriented OED (GO-OED) suitable for nonlinear observation and prediction models, which seeks the experimental design providing the greatest EIG on the QoIs. In particular, we propose a nested Monte Carlo estimator for the QoI EIG, featuring Markov chain Monte Carlo for posterior sampling and kernel density estimation for evaluating the posterior-predictive density and its Kullback-Leibler divergence from the prior-predictive. The GO-OED design is then found by maximizing the EIG over the design space using Bayesian optimization. We demonstrate the effectiveness of the overall nonlinear GO-OED method, and illustrate its differences versus conventional non-GO-OED, through various test problems and an application of sensor placement for source inversion in a convection-diffusion field.
title Goal-Oriented Bayesian Optimal Experimental Design for Nonlinear Models using Markov Chain Monte Carlo
topic Computation
Machine Learning
Methodology
62K05, 62F15, 62B15
url https://arxiv.org/abs/2403.18072