Constrained Bayesian Optimisation with Multiple Information Sources
Authors: Hauke Maathuis, Roeland De Breuker, Saullo Castro, Maike Osborne
Organizations: TU Delft · University of Oxford
Abstract
Bayesian Optimisation (BO) under unknown constraints is particularly challenging when feasible regions are small. In such settings, existing methods that typically rely solely on evaluations of the true objective and constraints struggle to efficiently explore the design space. However, many real-world applications offer auxiliary data sources (e.g. surrogate models or simplified simulations) that can support early exploration. Despite this potential, their integration into constrained BO remains largely unexplored. We propose a general multi-source framework that extends constrained Max-value Entropy Search, capturing inter-source correlation while balancing evaluation cost and information gain. Experiments on both synthetic and physics-based benchmarks show that our method efficiently identifies feasible and optimal solutions, even when auxiliary data are only weakly correlated. The proposed approach consistently outperforms existing methods, particularly in early-stage exploration.
Expensive constrained optimization problems in real-world industry design often involve constraint thresholds that are difficult to determine in advance. Engineers may need to adjust constraint thresholds to explore different feasibility-performance trade-offs, requiring solutions under a wide range of threshold settings. However, existing constrained Bayesian optimization methods treat each threshold configuration independently, leading to repeated optimization and failing to exploit the shared relationship among continuously varying thresholds. To address this challenge, we propose constraint-bound agnostic Bayesian optimization (CBA-BO), a learning-based framework that learns a parametric constraint model mapping thresholds to optimal solutions. Once learned, CBA-BO directly predicts solutions for arbitrary unseen threshold configurations without additional optimization, with a one-step Bayesian optimization refinement further improving solution quality. Experiments on benchmark and engineering problems demonstrate that CBA-BO learns a transferable threshold-solution mapping, enabling efficient prediction and optimization for arbitrary threshold queries. An intent-guided constraint-bound recommendation mechanism is further developed to improve objective performance while satisfying user-specified constraint preferences.
Multi-objective Bayesian optimization (MOBO) provides a principled framework for optimizing multiple expensive black-box functions. However, existing MOBO methods often struggle with coverage, scalability, and handling constraints and preferences. In this work we propose STAGE-BO, Sequential Targeting Adaptive Gap-Filling ε-Constraint Bayesian Optimization: by analyzing the coverage of the surrogate Pareto front, our method identifies the Pareto front point with the largest uncovered gap, and uses its coordinates to define adaptive constraints in ε-constraint method, which transforms the problem into a sequence of inequality-constrained subproblems, efficiently solved via constrained expected improvement acquisition. Our approach provides uniform Pareto coverage without hypervolume computation and naturally handles constraints and preferences. Experiments on synthetic and real-world benchmarks demonstrate superior coverage and competitive hypervolume performance against state-of-the-art baselines. Our code implementation can be found at https://github.com/YangYaohong1/STAGE-BO.
Bayesian optimization (BO) for high-dimensional constrained problems remains a significant challenge due to the curse of dimensionality. We propose Local Constrained Bayesian Optimization (LCBO), a novel framework tailored for such settings. Unlike trust-region methods that are prone to premature shrinking when confronting tight or complex constraints, LCBO leverages the differentiable landscape of constraint-penalized surrogates to alternate between rapid local descent and uncertainty-driven exploration. Theoretically, we prove that LCBO achieves a convergence rate for the Karush-Kuhn-Tucker (KKT) residual that depends polynomially on the dimension d for common kernels under mild assumptions, offering a rigorous alternative to global BO where regret bounds typically scale exponentially. Extensive evaluations on high-dimensional benchmarks (up to 100D) demonstrate that LCBO consistently outperforms state-of-the-art baselines.