4.6 Article

hetGP: Heteroskedastic Gaussian Process Modeling and Sequential Design in R

Journal

JOURNAL OF STATISTICAL SOFTWARE
Volume 98, Issue 13, Pages 1-44

Publisher

JOURNAL STATISTICAL SOFTWARE
DOI: 10.18637/jss.v098.i13

Keywords

input-dependent noise; level-set estimation; optimization; replication; stochastic kriging

Funding

  1. U.S. Department of Energy, Office of Science, Office of Advanced Scientific Computing Research [DE-AC02-06CH11357]
  2. DOE via Argonne National Laboratory [LAB 17-1697]
  3. National Science Foundation [DMS-1849794, DMS-1821258, DMS-1621746]

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The study introduces the hetGP package for advanced Gaussian process modeling with input-dependent noise, addressing the complex noise structure and simultaneous modeling of mean and variance fields. The data acquisition is approached using replication and exploration for achieving various goals such as obtaining a globally accurate model, optimization, or contour finding.
An increasing number of time-consuming simulators exhibit a complex noise structure that depends on the inputs. For conducting studies with limited budgets of evaluations, new surrogate methods are required in order to simultaneously model the mean and variance fields. To this end, we present the hetGP package, implementing many recent advances in Gaussian process modeling with input-dependent noise. First, we describe a simple, yet efficient, joint modeling framework that relies on replication for both speed and accuracy. Then we tackle the issue of data acquisition leveraging replication and exploration in a sequential manner for various goals, such as for obtaining a globally accurate model, for optimization, or for contour finding. Reproducible illustrations are provided throughout.

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