When it comes to expensive black-box optimization problems, Bayesian Optimization (BO) is a well-known and powerful solution. Many real-world applications involve a large number of dimensions, hence scaling BO to high dimension is of much interest. However, state-of-the-art high-dimensional BO methods still suffer from the curse of dimensionality, highlighting the need for further improvements. In this work, we introduce BOIDS, a novel high-dimensional BO algorithm that guides optimization by a sequence of one-dimensional direction lines using a novel tailored line-based optimization procedure. To improve the efficiency, we also propose an adaptive selection technique to identify most optimal lines for each round of line-based optimization. Additionally, we incorporate a subspace embedding technique for better scaling to high-dimensional spaces. We further provide theoretical analysis of our proposed method to analyze its convergence property. Our extensive experimental results show that BOIDS outperforms state-of-the-art baselines on various synthetic and real-world benchmark problems.

High-dimensional Bayesian Optimization (BO) has attracted significant attention in recent research. However, existing methods have mainly focused on optimizing in continuous domains, while combinatorial (ordinal and categorical) and mixed domains still remain challenging. In this paper, we first propose MOCA-HESP, a novel high-dimensional BO method for combinatorial and mixed variables. The key idea is to leverage the hyper-ellipsoid space partitioning (HESP) technique with different categorical encoders to work with high-dimensional, combinatorial and mixed spaces, while adaptively selecting the optimal encoders for HESP using a multi-armed bandit technique. Our method, MOCA-HESP, is designed as a meta-algorithm such that it can incorporate other combinatorial and mixed BO optimizers to further enhance the optimizers’ performance. Finally, we develop three practical BO methods by integrating MOCA-HESP with state-of-the-art BO optimizers for combinatorial and mixed variables: standard BO, CASMOPOLITAN, and Bounce. Our experimental results on various synthetic and real-world benchmarks show that our methods outperform existing baselines. Our code implementation can be found at https://github.com/LamNgo1/moca-hesp.

Bayesian Optimization (BO) is a powerful tool for optimizing expensive black-box objective functions. While extensive research has been conducted on the single-objective optimization problem, the multi-objective optimization problem remains challenging. In this paper, we propose MOBO-OSD, a multi-objective Bayesian Optimization algorithm designed to generate a diverse set of Pareto optimal solutions by solving multiple constrained optimization problems, referred to as MOBO-OSD subproblems, along orthogonal search directions (OSDs) defined with respect to an approximated convex hull of individual objective minima. By employing a well-distributed set of OSDs, MOBO-OSD ensures broad coverage of the objective space, enhancing both solution diversity and hypervolume performance. To further improve the density of the set of the Pareto optimal candidate solutions without requiring an excessive number of subproblems, we leverage a Pareto Front Estimation technique to generate additional solutions in the neighborhood of existing solutions. Additionally, MOBO-OSD supports batch optimization, enabling parallel function evaluations to accelerate the optimization process when resources are available. Through extensive experiments and analysis on a variety of synthetic and real-world benchmark functions with two to six objectives, we demonstrate that MOBO-OSD consistently outperform the state-of-the-art algorithms.