Are we Forgetting about Compositional Optimisers in Bayesian Optimisation?
Not on the map. Why?
Abstract (arXiv)
Bayesian optimisation presents a sample-efficient methodology for global optimisation. Within this framework, a crucial performance-determining subroutine is the maximisation of the acquisition function, a task complicated by the fact that acquisition functions tend to be non-convex and thus nontrivial to optimise. In this paper, we undertake a comprehensive empirical study of approaches to maximise the acquisition function. Additionally, by deriving novel, yet mathematically equivalent, compositional forms for popular acquisition functions, we recast the maximisation task as a compositional optimisation problem, allowing us to benefit from the extensive literature in this field. We highlight the empirical advantages of the compositional approach to acquisition function maximisation across 3958 individual experiments comprising synthetic optimisation tasks as well as tasks from Bayesmark. Given the generality of the acquisition function maximisation subroutine, we posit that the adoption of compositional optimisers has the potential to yield performance improvements across all domains in which Bayesian optimisation is currently being applied.
Key facts. Cited by 9 papers in the map (data through 14 Oct 2026). First posted on arXiv 15 Dec 2020.
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Citing papers per year: 2021: 1; 2022: 3; 2023: 3; 2024: 1; 2025: 0; 2026: 1.
9 papers.
- 2021High-Dimensional Bayesian Optimisation with Variational Autoencoders and Deep Metric Learningcited by 54
- 2022GAUCHE: A Library for Gaussian Processes in Chemistrycited by 41
- 2023Are Random Decompositions all we need in High Dimensional Bayesian Optimisation?cited by 36
- 2022AntBO: Towards Real-World Automated Antibody Design with Combinatorial Bayesian Optimisationcited by 16
- 2023Framework and Benchmarks for Combinatorial and Mixed-variable Bayesian Optimizationcited by 16
- 2022Sample-Efficient Optimisation with Probabilistic Transformer Surrogatescited by 3
- 2023Applications of Gaussian Processes at Extreme Lengthscales: From Molecules to Black Holescited by 0
- 2024Scalable Batch Bayesian Optimization Via Subspace Acquisition Functionscited by 0
- 2026Privacy-Aware Collaborative and Distributed Bayesian Optimizationcited by 0
- 2026Privacy-Aware Collaborative and Distributed Bayesian Optimization13 Jul 2026
- 2024Scalable Batch Bayesian Optimization Via Subspace Acquisition Functions25 Nov 2024
- 2023Framework and Benchmarks for Combinatorial and Mixed-variable Bayesian Optimization16 Jun 2023
- 2023Applications of Gaussian Processes at Extreme Lengthscales: From Molecules to Black Holes24 Mar 2023
- 2023Are Random Decompositions all we need in High Dimensional Bayesian Optimisation?30 Jan 2023
- 2022GAUCHE: A Library for Gaussian Processes in Chemistry6 Dec 2022
- 2022Sample-Efficient Optimisation with Probabilistic Transformer Surrogates27 May 2022
- 2022AntBO: Towards Real-World Automated Antibody Design with Combinatorial Bayesian Optimisation29 Jan 2022
- 2021High-Dimensional Bayesian Optimisation with Variational Autoencoders and Deep Metric Learning7 Jun 2021