High-dimensional black-box optimisation remains an important yet notoriously challenging problem. Despite the success of Bayesian optimisation methods on continuous domains, domains that are categorical, or that mix continuous and categorical variables, remain challenging. We propose a novel solution—we combine local optimisation with a tailored kernel design, effectively handling high-dimensional categorical and mixed search spaces, whilst retaining sample efficiency. We further derive convergence guarantee for the proposed approach. Finally, we demonstrate empirically that our method outperforms the current baselines on a variety of synthetic and real-world tasks in terms of performance, computational costs, or both.

Efficient optimisation of black-box problems that comprise both continuous and categorical inputs is important, yet poses significant challenges. Current approaches, like one-hot encoding, severely increase the dimension of the search space, while separate modelling of category-specific data is sample-inefficient. Both frameworks are not scalable to practical applications involving multiple categorical variables, each with multiple possible values. We propose a new approach, Continuous and Categorical Bayesian Optimisation (CoCaBO), which combines the strengths of multi-armed bandits and Bayesian optimisation to select values for both categorical and continuous inputs. We model this mixed-type space using a Gaussian Process kernel, designed to allow sharing of information across multiple categorical variables; this allows CoCaBO to leverage all available data efficiently. We extend our method to the batch setting and propose an efficient selection procedure that dynamically balances exploration and exploitation whilst encouraging batch diversity. We demonstrate empirically that our method outperforms existing approaches on both synthetic and real-world optimisation tasks with continuous and categorical inputs.

Batch Bayesian optimisation (BO) has been successfully applied to hyperparameter tuning using parallel computing, but it is wasteful of resources: workers that complete jobs ahead of others are left idle. We address this problem by developing an approach, Penalising Locally for Asynchronous Bayesian Optimisation on K Workers (PLAyBOOK), for asynchronous parallel BO. We demonstrate empirically the efficacy of PLAyBOOK and its variants on synthetic tasks and a real-world problem. We undertake a comparison between synchronous and asynchronous BO, and show that asynchronous BO often outperforms synchronous batch BO in both wall-clock time and sample efficiency.

Information-theoretic Bayesian optimisation techniques have demonstrated state-of-the-art performance in tackling important global optimisation problems. However, current information-theoretic approaches require many approximations in implementation, introduce often-prohibitive computational overhead and limit the choice of kernels available to model the objective. We develop a fast information-theoretic Bayesian Optimisation method, FITBO, that avoids the need for sampling the global minimiser, thus significantly reducing computational overhead. Moreover, in comparison with existing approaches, our method faces fewer constraints on kernel choice and enjoys the merits of dealing with the output space. We demonstrate empirically that FITBO inherits the performance associated with information-theoretic Bayesian optimisation, while being even faster than simpler Bayesian optimisation approaches, such as Expected Improvement.