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Targeted Adaptive Design

Journal Article · · SIAM/ASA Journal on Uncertainty Quantification
DOI:https://doi.org/10.1137/22m149898x· OSTI ID:2570668

Modern advanced manufacturing and advanced materials design often require searches of relatively high-dimensional process control parameter spaces for settings that result in optimal structure, property, and performance parameters. The mapping from the former to the latter must be determined from noisy experiments or from expensive simulations. Here, we abstract this problem to a mathematical framework in which an unknown function from a control space to a design space must be ascertained by means of expensive noisy measurements, which locate control settings generating desired design features within specified tolerances, with quantified uncertainty. We describe targeted adaptive design (TAD), a new algorithm that performs this sampling task efficiently. TAD creates a Gaussian process surrogate model of the unknown mapping at each iterative stage, proposing a new batch of control settings to sample experimentally and optimizing the updated expected log-predictive probability density of the target design. TAD either stops upon locating a solution with uncertainties that fit inside the tolerance box or uses a measure of expected future information to determine that the search space has been exhausted with no solution. TAD thus embodies the exploration-exploitation tension in a manner that recalls, but is essentially different from, Bayesian optimization and optimal experimental design.

Research Organization:
Argonne National Laboratory (ANL), Argonne, IL (United States)
Sponsoring Organization:
USDOE Office of Science (SC), Advanced Scientific Computing Research (ASCR). Scientific Discovery through Advanced Computing (SciDAC)
Grant/Contract Number:
AC02-06CH11357
OSTI ID:
2570668
Journal Information:
SIAM/ASA Journal on Uncertainty Quantification, Journal Name: SIAM/ASA Journal on Uncertainty Quantification Journal Issue: 4 Vol. 12; ISSN 2166-2525
Publisher:
Society for Industrial and Applied Mathematics (SIAM)Copyright Statement
Country of Publication:
United States
Language:
English

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