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Bayesian optimization is an effective technique for black-box optimization, but its applicability is typically limited to low-dimensional and small-budget problems due to the cubic complexity of computing the Gaussian process (GP)…

Machine Learning · Computer Science 2025-12-18 Yunyue Wei , Vincent Zhuang , Saraswati Soedarmadji , Yanan Sui

Constrained Bayesian optimization (CBO) methods have seen significant success in black-box optimization with constraints. One of the most commonly used CBO methods is the constrained expected improvement (CEI) algorithm. CEI is a natural…

Machine Learning · Statistics 2026-01-13 Haowei Wang , Jingyi Wang , Zhongxiang Dai , Nai-Yuan Chiang , Szu Hui Ng , Cosmin G. Petra

Bayesian optimization is an effective method for solving expensive black-box optimization problems. Most existing methods use Gaussian processes (GP) as the surrogate model for approximating the black-box objective function, it is…

Machine Learning · Computer Science 2025-12-23 Wei Peng , Jianchen Hu , Kang Liu , Qiaozhu Zhai

We analyze the Bayesian regret of the Gaussian process posterior sampling reinforcement learning (GP-PSRL) algorithm. Posterior sampling is an effective heuristic for decision-making under uncertainty that has been used to develop…

Machine Learning · Statistics 2026-03-10 Hamish Flynn , Joe Watson , Ingmar Posner , Jan Peters

We address the problem of Gaussian Process (GP) optimization in the presence of unknown and potentially varying adversarial perturbations. Unlike traditional robust optimization approaches that focus on maximizing performance under…

Machine Learning · Computer Science 2025-12-12 Artun Saday , Yaşar Cahit Yıldırım , Cem Tekin

Guided-diffusion black-box optimization (BO) has shown strong empirical performance on structured design problems such as molecules and crystals, but its regret behavior remains poorly understood. Existing BO regret analyses typically rely…

Machine Learning · Statistics 2026-05-12 Masaki Adachi , Anita Yang , Yakun Wang , Song Liu

Bayesian optimisation (BO) is a powerful framework for global optimisation of costly functions, using predictions from Gaussian process models (GPs). In this work, we apply BO to functions that exhibit invariance to a known group of…

Machine Learning · Computer Science 2024-10-23 Theodore Brown , Alexandru Cioba , Ilija Bogunovic

In this paper, we consider algorithm-independent lower bounds for the problem of black-box optimization of functions having a bounded norm is some Reproducing Kernel Hilbert Space (RKHS), which can be viewed as a non-Bayesian Gaussian…

Machine Learning · Statistics 2021-05-25 Xu Cai , Jonathan Scarlett

Meta-Bayesian optimisation (meta-BO) aims to improve the sample efficiency of Bayesian optimisation by leveraging data from related tasks. While previous methods successfully meta-learn either a surrogate model or an acquisition function…

Machine Learning · Computer Science 2023-12-25 Alexandre Maraval , Matthieu Zimmer , Antoine Grosnit , Haitham Bou Ammar

Bayesian optimization (BO) methods often rely on the assumption that the objective function is well-behaved, but in practice, this is seldom true for real-world objectives even if noise-free observations can be collected. Common approaches,…

Machine Learning · Statistics 2020-09-10 Erik Bodin , Markus Kaiser , Ieva Kazlauskaite , Zhenwen Dai , Neill D. F. Campbell , Carl Henrik Ek

Bayesian optimization (BO) is a popular paradigm for global optimization of expensive black-box functions, but there are many domains where the function is not completely a black-box. The data may have some known structure (e.g. symmetries)…

Machine Learning · Computer Science 2022-12-08 Samuel Kim , Peter Y. Lu , Charlotte Loh , Jamie Smith , Jasper Snoek , Marin Soljačić

Bandit convex optimization (BCO) is a fundamental online learning framework with partial feedback, where the learner observes only the loss incurred at the chosen decision point in each round. In this work, we investigate whether optimistic…

Machine Learning · Computer Science 2026-05-22 Shuche Wang , Adarsh Barik , Vincent Y. F. Tan

Gaussian multiplicative noise is commonly used as a stochastic regularisation technique in training of deterministic neural networks. A recent paper reinterpreted the technique as a specific algorithm for approximate inference in Bayesian…

Machine Learning · Statistics 2017-11-09 Jiri Hron , Alexander G. de G. Matthews , Zoubin Ghahramani

The Gaussian process bandit is a problem in which we want to find a maximizer of a black-box function with the minimum number of function evaluations. If the black-box function varies with time, then time-varying Bayesian optimization is a…

In this paper, we consider the Gaussian process (GP) bandit optimization problem in a non-stationary environment. To capture external changes, the black-box function is allowed to be time-varying within a reproducing kernel Hilbert space…

Machine Learning · Computer Science 2022-03-29 Yuntian Deng , Xingyu Zhou , Baekjin Kim , Ambuj Tewari , Abhishek Gupta , Ness Shroff

In this study, we propose a new method for constructing UCB-type algorithms for stochastic multi-armed bandits based on general convex optimization methods with an inexact oracle. We derive the regret bounds corresponding to the convergence…

Machine Learning · Computer Science 2024-02-13 Yuriy Dorn , Aleksandr Katrutsa , Ilgam Latypov , Andrey Pudovikov

We study an algorithm-independent, worst-case lower bound for the Gaussian process (GP) bandit problem in the frequentist setting, where the reward function is fixed and has a bounded norm in the known reproducing kernel Hilbert space…

Machine Learning · Computer Science 2026-02-23 Shogo Iwazaki

Thompson sampling (TS) is a powerful and widely used strategy for sequential decision-making, with applications ranging from Bayesian optimization to reinforcement learning (RL). Despite its success, the theoretical foundations of TS remain…

Machine Learning · Computer Science 2025-10-24 Jasmine Bayrooti , Sattar Vakili , Amanda Prorok , Carl Henrik Ek

Optimization problems routinely depend on uncertain parameters that must be predicted before a decision is made. Classical robust and regret formulations are designed to handle erroneous predictions and can provide statistical error bounds…

Optimization and Control · Mathematics 2026-03-30 Jannis Kurtz , Bart P. G. van Parys

Bayesian optimization (BO), which uses a Gaussian process (GP) as a surrogate to model its objective function, is popular for black-box optimization. However, due to the limitations of GPs, BO underperforms in some problems such as those…

Machine Learning · Computer Science 2022-10-14 Zhongxiang Dai , Yao Shu , Bryan Kian Hsiang Low , Patrick Jaillet