Frequentist coverage and sup-norm convergence rate in Gaussian process regression

Abstract

Gaussian process (GP) regression is a powerful interpolation technique due to its flexibility in capturing non-linearity. In this paper, we provide a general framework for understanding the frequentist coverage of point-wise and simultaneous Bayesian credible sets in GP regression. As an intermediate result, we develop a Bernstein von-Mises type result under supremum norm in random design GP regression. Identifying both the mean and covariance function of the posterior distribution of the Gaussian process as regularized $M$-estimators, we show that the sampling distribution of the posterior mean function and the centered posterior distribution can be respectively approximated by two population level GPs. By developing a comparison inequality between two GPs, we provide exact characterization of frequentist coverage probabilities of Bayesian point-wise credible intervals and simultaneous credible bands of the regression function. Our results show that inference based on GP regression tends to be conservative; when the prior is under-smoothed, the resulting credible intervals and bands have minimax-optimal sizes, with their frequentist coverage converging to a non-degenerate value between their nominal level and one. As a byproduct of our theory, we show that the GP regression also yields minimax-optimal posterior contraction rate relative to the supremum norm, which provides a positive evidence to the long standing problem on optimal supremum norm contraction rate in GP regression.