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Bayesian optimization is a powerful tool for optimizing an expensive-to-evaluate black-box function. In particular, the effectiveness of expected improvement (EI) has been demonstrated in a wide range of applications. However, theoretical…

Machine Learning · Statistics 2025-10-01 Shion Takeno , Yu Inatsu , Masayuki Karasuyama , Ichiro Takeuchi

Expected improvement (EI) is one of the most widely used acquisition functions in Bayesian optimization (BO). Despite its proven success in applications for decades, important open questions remain on the theoretical convergence behaviors…

Machine Learning · Statistics 2025-02-13 Jingyi Wang , Haowei Wang , Nai-Yuan Chiang , Cosmin G. Petra

Sequential maximization of expected improvement (EI) is one of the most widely used policies in Bayesian optimization because of its simplicity and ability to handle noisy observations. In particular, the improvement function often uses the…

Machine Learning · Computer Science 2023-11-15 Han Zhou , Xingchen Ma , Matthew B Blaschko

We consider optimization of composite objective functions, i.e., of the form $f(x)=g(h(x))$, where $h$ is a black-box derivative-free expensive-to-evaluate function with vector-valued outputs, and $g$ is a cheap-to-evaluate real-valued…

Machine Learning · Statistics 2019-06-05 Raul Astudillo , Peter I. Frazier

Bayesian Optimization (BO) links Gaussian Process (GP) surrogates with sequential design toward optimizing expensive-to-evaluate black-box functions. Example design heuristics, or so-called acquisition functions, like expected improvement…

Machine Learning · Computer Science 2023-08-16 Ryan B. Christianson , Robert B. Gramacy

Expected Improvement (EI) is arguably the most widely used acquisition function in Bayesian optimization. However, it is often challenging to enhance the performance with EI due to its sensitivity to numerical precision. Previously, Hutter…

Machine Learning · Computer Science 2024-11-28 Shuhei Watanabe

Bayesian optimization is a widely used technique for optimizing black-box functions, with Expected Improvement (EI) being the most commonly utilized acquisition function in this domain. While EI is often viewed as distinct from other…

Machine Learning · Statistics 2025-03-11 Nuojin Cheng , Stephen Becker

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

The expected improvement (EI) algorithm is one of the most popular strategies for optimization under uncertainty due to its simplicity and efficiency. Despite its popularity, the theoretical aspects of this algorithm have not been properly…

Machine Learning · Computer Science 2026-04-28 Hung Tran-The , Sunil Gupta , Santu Rana , Svetha Venkatesh

Expected Improvement (EI) is arguably the most popular acquisition function in Bayesian optimization and has found countless successful applications, but its performance is often exceeded by that of more recent methods. Notably, EI and its…

Machine Learning · Computer Science 2025-01-08 Sebastian Ament , Samuel Daulton , David Eriksson , Maximilian Balandat , Eytan Bakshy

Bayesian optimization (BO) with Gaussian processes is a powerful methodology to optimize an expensive black-box function with as few function evaluations as possible. The expected improvement (EI) and probability of improvement (PI) are…

Machine Learning · Computer Science 2023-07-06 Takuya Kanazawa

The expected improvement (EI) is one of the most popular acquisition functions for Bayesian optimization (BO) and has demonstrated good empirical performances in many applications for the minimization of simple regret. However, under the…

Machine Learning · Computer Science 2024-10-04 Shouri Hu , Haowei Wang , Zhongxiang Dai , Bryan Kian Hsiang Low , Szu Hui Ng

Expected improvement (EI) is one of the most widely used acquisition functions in Bayesian optimization (BO). Despite its proven empirical success in applications, the cumulative regret upper bound of EI remains an open question. In this…

Machine Learning · Statistics 2025-08-22 Jingyi Wang , Haowei Wang , Szu Hui Ng , Cosmin G. Petra

Bayesian optimization (BO) is among the most effective and widely-used blackbox optimization methods. BO proposes solutions according to an explore-exploit trade-off criterion encoded in an acquisition function, many of which are computed…

Machine Learning · Computer Science 2021-02-19 Louis C. Tiao , Aaron Klein , Matthias Seeger , Edwin V. Bonilla , Cedric Archambeau , Fabio Ramos

Bayesian Optimization using Gaussian Processes is a popular approach to deal with the optimization of expensive black-box functions. However, because of the a priori on the stationarity of the covariance matrix of classic Gaussian…

Machine Learning · Statistics 2019-05-10 Ali Hebbal , Loic Brevault , Mathieu Balesdent , El-Ghazali Talbi , Nouredine Melab

Bayesian optimization is a powerful global optimization technique for expensive black-box functions. One of its shortcomings is that it requires auxiliary optimization of an acquisition function at each iteration. This auxiliary…

Machine Learning · Statistics 2014-02-28 Ziyu Wang , Babak Shakibi , Lin Jin , Nando de Freitas

Bayesian Optimization, leveraging Gaussian process models, has proven to be a powerful tool for minimizing expensive-to-evaluate objective functions by efficiently exploring the search space. Extensions such as constrained Bayesian…

Computation · Statistics 2025-06-03 Yezhuo Li , Qiong Zhang , Madhura Limaye , Gang Li

Bayesian optimisation is a sample-efficient search methodology that holds great promise for accelerating drug and materials discovery programs. A frequently-overlooked modelling consideration in Bayesian optimisation strategies however, is…

Bayesian optimisation (BO) uses probabilistic surrogate models - usually Gaussian processes (GPs) - for the optimisation of expensive black-box functions. At each BO iteration, the GP hyperparameters are fit to previously-evaluated data by…

Machine Learning · Computer Science 2021-05-04 George De Ath , Richard Everson , Jonathan Fieldsend

We consider parallel global optimization of derivative-free expensive-to-evaluate functions, and propose an efficient method based on stochastic approximation for implementing a conceptual Bayesian optimization algorithm proposed by…

Machine Learning · Statistics 2019-05-07 Jialei Wang , Scott C. Clark , Eric Liu , Peter I. Frazier
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