Finding Interior Optimum of Black-box Constrained Objective with Bayesian Optimization

Optimizing objectives under constraints, where both the objectives and constraints are black box functions, is a common scenario in real-world applications such as the design of medical therapies, industrial process optimization, and hyperparameter optimization. One popular approach to handle these complex scenarios is Bayesian Optimization (BO). However, when it comes to the theoretical understanding of constrained Bayesian optimization (CBO), the existing framework often relies on heuristics, approximations, or relaxation of objectives and, therefore, lacks the same level of theoretical guarantees as in canonical BO. In this paper, we exclude the boundary candidates that could be compromised by noise perturbation and aim to find the interior optimum of the black-box-constrained objective. We rely on the insight that optimizing the objective and learning the constraints can both help identify the high-confidence regions of interest (ROI) that potentially contain the interior optimum. We propose an efficient CBO framework that intersects the ROIs identified from each aspect on a discretized search space to determine the general ROI. Then, on the ROI, we optimize the acquisition functions, balancing the learning of the constraints and the optimization of the objective. We showcase the efficiency and robustness of our proposed CBO framework through the high probability regret bounds for the algorithm and extensive empirical evidence.