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Maximum likelihood estimation and uncertainty quantification for Gaussian process approximation of deterministic functions

Tronarp, Filip LU ; Karvonen, Toni ; Wynne, George ; Oates, Chris and Särkkä, Simo (2020) In SIAM/ASA Journal on Uncertainty Quantification 8(3).
Abstract
Despite the ubiquity of the Gaussian process regression model, few theoretical results are available that account for the fact that parameters of the covariance kernel typically need to be estimated from the data set. This article provides one of the first theoretical analyses in the context of Gaussian process regression with a noiseless data set. Specifically, we consider the scenario where the scale parameter of a Sobolev kernel (such as a Matérn kernel) is estimated by maximum likelihood. We show that the maximum likelihood estimation of the scale parameter alone provides significant adaptation against misspecification of the Gaussian process model in the sense that the model can become “slowly” overconfident at worst, regardless of... (More)
Despite the ubiquity of the Gaussian process regression model, few theoretical results are available that account for the fact that parameters of the covariance kernel typically need to be estimated from the data set. This article provides one of the first theoretical analyses in the context of Gaussian process regression with a noiseless data set. Specifically, we consider the scenario where the scale parameter of a Sobolev kernel (such as a Matérn kernel) is estimated by maximum likelihood. We show that the maximum likelihood estimation of the scale parameter alone provides significant adaptation against misspecification of the Gaussian process model in the sense that the model can become “slowly” overconfident at worst, regardless of the difference between the smoothness of the data-generating function and that expected by the model. The analysis is based on a combination of techniques from nonparametric regression and scattered data interpolation. Empirical results are provided in support of the theoretical findings. (Less)
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author
; ; ; and
publishing date
type
Contribution to journal
publication status
published
subject
keywords
nonparametric regression, scattered data approximation, credible sets, Bayesian cubature, model misspecification
in
SIAM/ASA Journal on Uncertainty Quantification
volume
8
issue
3
pages
33 pages
publisher
Society for Industrial and Applied Mathematics
external identifiers
  • scopus:85093520595
ISSN
2166-2525
DOI
10.1137/20M1315968
language
English
LU publication?
no
id
7fada72c-ed66-482c-8481-33245816e952
date added to LUP
2023-08-20 22:36:39
date last changed
2023-10-13 16:06:59
@article{7fada72c-ed66-482c-8481-33245816e952,
  abstract     = {{Despite the ubiquity of the Gaussian process regression model, few theoretical results are available that account for the fact that parameters of the covariance kernel typically need to be estimated from the data set. This article provides one of the first theoretical analyses in the context of Gaussian process regression with a noiseless data set. Specifically, we consider the scenario where the scale parameter of a Sobolev kernel (such as a Matérn kernel) is estimated by maximum likelihood. We show that the maximum likelihood estimation of the scale parameter alone provides significant adaptation against misspecification of the Gaussian process model in the sense that the model can become “slowly” overconfident at worst, regardless of the difference between the smoothness of the data-generating function and that expected by the model. The analysis is based on a combination of techniques from nonparametric regression and scattered data interpolation. Empirical results are provided in support of the theoretical findings.}},
  author       = {{Tronarp, Filip and Karvonen, Toni and Wynne, George and Oates, Chris and Särkkä, Simo}},
  issn         = {{2166-2525}},
  keywords     = {{nonparametric regression; scattered data approximation; credible sets; Bayesian cubature; model misspecification}},
  language     = {{eng}},
  number       = {{3}},
  publisher    = {{Society for Industrial and Applied Mathematics}},
  series       = {{SIAM/ASA Journal on Uncertainty Quantification}},
  title        = {{Maximum likelihood estimation and uncertainty quantification for Gaussian process approximation of deterministic functions}},
  url          = {{http://dx.doi.org/10.1137/20M1315968}},
  doi          = {{10.1137/20M1315968}},
  volume       = {{8}},
  year         = {{2020}},
}