stat.MLJul 31, 2026

Simple-regret rates and minimax optimality of fixed-prior expected improvement in Matérn and squared-exponential RKHSs

Authors: Emmanuel VazquezSébastien Petit

Organizations: Universit´e Paris-Saclay, CNRS, CentraleSup´elec, Laboratoire des Signaux et Syst`emes, 91190 Gif-sur-Yvette, France · Laboratoire national de m´etrologie et d’essais (LNE), 1 rue Gaston Boissier, 75724 Paris Cedex 15, France

Abstract

We study the expected improvement (EI) policy for minimizing a deterministic objective function ff on a nonempty compact set XRd\mathcal X \subset\mathbb R^d. We assume that ff belongs to the RKHS Hk\mathcal H_k of a continuous positive-semidefinite kernel kk on X\mathcal X. Function values are observed exactly, and EI is computed from a fixed zero-mean Gaussian-process model with covariance σ2kσ^2k. After an initial design, the policy queries a point whose EI is at least a fixed positive fraction of its maximum. We identify the normalized posterior standard deviation at a candidate point xx with the norm of the corresponding innovation in the canonical feature space, namely the component of k(x,)k(x,\cdot) orthogonal to the span of the preceding evaluation representers. Sequential separation radii bound the ranked innovation norms along arbitrary query sequences. We estimate these radii using Gram determinants and Kolmogorov widths for subspaces of different dimensions, then combine the estimates with a one-step regret inequality to obtain finite-budget bounds for simple regret. After NN post-initial queries, simple regret is O(Nν/d)O(N^{-ν/d}) for isotropic Matérn kernels of smoothness ν>0ν>0. For the isotropic squared-exponential kernel, simple regret is O(exp[c1min{N,N1/dlog(eN)}])O(\exp[-c_1\min\{N, N^{1/d}\log(eN)\}]) for some c1>0c_1>0. With exact EI maximization, it is O(exp[c2N1/dlog(eN)])O(\exp[-c_2N^{1/d} \log(eN)]) for some c2>0c_2>0. For every fixed B0B\geq0, these bounds are uniform over the RKHS ball of radius BB. If X\mathcal X has nonempty interior and B>0B>0, then, among deterministic methods whose final recommendation may be any point of X\mathcal X, the exact EI policy is minimax-rate optimal over the RKHS ball of radius BB for Matérn kernels and minimax-rate optimal up to constants in the exponent for squared-exponential kernels.

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