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Bayesian optimization (BO) is a popular approach to optimize expensive-to-evaluate black-box functions. A significant challenge in BO is to scale to high-dimensional parameter spaces while retaining sample efficiency. A solution considered…

机器学习 · 统计学 2020-10-26 Benjamin Letham , Roberto Calandra , Akshara Rai , Eytan Bakshy

Bayesian optimization (BO) provides a powerful framework for optimizing black-box, expensive-to-evaluate functions. It is therefore an attractive tool for engineering design problems, typically involving multiple objectives. Thanks to the…

机器学习 · 计算机科学 2024-09-06 Navid Ansari , Alireza Javanmardi , Eyke Hüllermeier , Hans-Peter Seidel , Vahid Babaei

Bayesian optimization (BO) is a widely used approach to hyperparameter optimization (HPO). However, most existing HPO methods only incorporate expert knowledge during initialization, limiting practitioners' ability to influence the…

Bayesian Optimization (BO) is a foundational strategy in the field of engineering design optimization for efficiently handling black-box functions with many constraints and expensive evaluations. This paper introduces a fast and accurate BO…

计算工程、金融与科学 · 计算机科学 2024-04-09 Rosen , Yu , Cyril Picard , Faez Ahmed

While many advanced statistical methods for the design of experiments exist, it is still typical for physical experiments to be performed adaptively based on human intuition. As a consequence, experimental resources are wasted on…

统计方法学 · 统计学 2025-03-04 Anton van Beek

This paper introduces a multifidelity formulation that reduces the computational cost of the proper orthogonal decomposition (POD) of a high-fidelity model by leveraging data from cheaper, lower-fidelity models. POD is a prevalent technique…

数值分析 · 数学 2026-05-29 Nicole Aretz , Karen Willcox

Bayesian optimization (BO) is a powerful paradigm for derivative-free global optimization of a black-box objective function (BOF) that is expensive to evaluate. However, the overhead of BO can still be prohibitive for problems with highly…

机器学习 · 计算机科学 2019-12-18 Bin Liu

Optimisation problems often have multiple conflicting objectives that can be computationally and/or financially expensive. Mono-surrogate Bayesian optimisation (BO) is a popular model-based approach for optimising such black-box functions.…

机器学习 · 计算机科学 2022-08-11 George De Ath , Tinkle Chugh , Alma A. M. Rahat

Bayesian optimization is a powerful tool for solving real-world optimization tasks under tight evaluation budgets, making it well-suited for applications involving costly simulations or experiments. However, many of these tasks are also…

机器学习 · 计算机科学 2025-06-18 Paolo Ascia , Elena Raponi , Thomas Bäck , Fabian Duddeck

A crucial problem in achieving innovative high-throughput materials growth with machine learning and automation techniques, such as Bayesian optimization (BO) and robotic experimentation, has been a lack of an appropriate way to handle…

Autonomous Experimentation Platforms (AEPs) are advanced manufacturing platforms that, under intelligent control, can sequentially search the material design space (MDS) and identify parameters with the desired properties. At the heart of…

机器学习 · 计算机科学 2023-02-28 Ahmed Shoyeb Raihan , Imtiaz Ahmed

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…

机器学习 · 计算机科学 2021-05-04 George De Ath , Richard Everson , Jonathan Fieldsend

Bayesian optimization (BO) is a powerful technology for optimizing noisy expensive-to-evaluate black-box functions, with a broad range of real-world applications in science, engineering, economics, manufacturing, and beyond. In this paper,…

机器学习 · 计算机科学 2024-01-30 Joel A. Paulson , Calvin Tsay

Hyperparameter optimization (HPO) is a fundamental problem in automatic machine learning (AutoML). However, due to the expensive evaluation cost of models (e.g., training deep learning models or training models on large datasets), vanilla…

机器学习 · 计算机科学 2021-08-03 Yang Li , Yu Shen , Jiawei Jiang , Jinyang Gao , Ce Zhang , Bin Cui

It is commonly believed that Bayesian optimization (BO) algorithms are highly efficient for optimizing numerically costly functions. However, BO is not often compared to widely different alternatives, and is mostly tested on narrow sets of…

最优化与控制 · 数学 2021-10-01 Rodolphe Le Riche , Victor Picheny

Real-world black-box optimization often involves time-consuming or costly experiments and simulations. Multi-fidelity optimization (MFO) stands out as a cost-effective strategy that balances high-fidelity accuracy with computational…

机器学习 · 计算机科学 2024-02-16 Ke Li , Fan Li

Bayesian optimization (BO) is a popular approach for optimizing expensive-to-evaluate black-box objective functions. An important challenge in BO is its application to high-dimensional search spaces due in large part to the curse of…

机器学习 · 计算机科学 2025-05-27 Wei-Ting Tang , Joel A. Paulson

In this study, we propose a novel microstructure-sensitive Bayesian optimization (BO) framework designed to enhance the efficiency of materials discovery by explicitly incorporating microstructural information. Traditional materials design…

材料科学 · 物理学 2025-02-07 Danial Khatamsaz , Vahid Attari , Raymundo Arroyave

Bayesian optimization (BO) is a prominent approach to optimizing expensive-to-evaluate black-box functions. The massive computational capability of edge devices such as mobile phones, coupled with privacy concerns, has led to a surging…

机器学习 · 计算机科学 2020-10-23 Zhongxiang Dai , Kian Hsiang Low , Patrick Jaillet

In this paper, we address the problem of \emph{cost-sensitive} hyperparameter optimization (HPO) built upon freeze-thaw Bayesian optimization (BO). Specifically, we assume a scenario where users want to early-stop the HPO process when the…