Paper ID: 2402.16811

Stopping Bayesian Optimization with Probabilistic Regret Bounds

James T. Wilson

Bayesian optimization is a popular framework for efficiently finding high-quality solutions to difficult problems based on limited prior information. As a rule, these algorithms operate by iteratively choosing what to try next until some predefined budget has been exhausted. We investigate replacing this de facto stopping rule with an $(\epsilon, \delta)$-criterion: stop when a solution has been found whose value is within $\epsilon > 0$ of the optimum with probability at least $1 - \delta$ under the model. Given access to the prior distribution of problems, we show how to verify this condition in practice using a limited number of draws from the posterior. For Gaussian process priors, we prove that Bayesian optimization with the proposed criterion stops in finite time and returns a point that satisfies the $(\epsilon, \delta)$-criterion under mild assumptions. These findings are accompanied by extensive empirical results which demonstrate the strengths and weaknesses of this approach.

Submitted: Feb 26, 2024