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Hyperparameter optimization (HPO) is a core problem for the machine learning community and remains largely unsolved due to the significant computational resources required to evaluate hyperparameter configurations. As a result, a series of…

Machine Learning · Computer Science 2021-10-12 Sebastian Pineda Arango , Hadi S. Jomaa , Martin Wistuba , Josif Grabocka

Bayesian optimization (BO) is a powerful black-box optimization framework that looks to efficiently learn the global optimum of an unknown system by systematically trading-off between exploration and exploitation. However, the use of BO as…

Optimization and Control · Mathematics 2023-03-28 Dinesh Krishnamoorthy , Joel A. Paulson

Bayesian optimization (BO) developed as an approach for the efficient optimization of expensive black-box functions without gradient information. A typical BO paper introduces a new approach and compares it to some alternatives on simulated…

Computation · Statistics 2023-10-17 Jiajie Kong , Tony Pourmohamad , Herbert K. H. Lee

Real-world applications involve various discrete optimization problems. Designing a specialized optimizer for each of these problems is challenging, typically requiring significant domain knowledge and human efforts. Hence, developing…

Neural and Evolutionary Computing · Computer Science 2024-05-30 Shengcai Liu , Zhiyuan Wang , Yew-Soon Ong , Xin Yao , Ke Tang

Bayesian optimization (BO) is a well-established method to optimize black-box functions whose direct evaluations are costly. In this paper, we tackle the problem of incorporating expert knowledge into BO, with the goal of further…

Machine Learning · Computer Science 2022-08-19 Daolang Huang , Louis Filstroff , Petrus Mikkola , Runkai Zheng , Samuel Kaski

One of the most challenging problems in evolutionary computation is to select from its family of diverse solvers one that performs well on a given problem. This algorithm selection problem is complicated by the fact that different phases of…

Neural and Evolutionary Computing · Computer Science 2020-06-12 Diederick Vermetten , Hao Wang , Carola Doerr , Thomas Bäck

We consider black-box optimization in which only an extremely limited number of function evaluations, on the order of around 100, are affordable and the function evaluations must be performed in even fewer batches of a limited number of…

Machine Learning · Computer Science 2021-03-19 Carlos Ansotegui , Meinolf Sellmann , Tapan Shah , Kevin Tierney

The optimization of expensive-to-evaluate black-box functions is prevalent in various scientific disciplines. Bayesian optimization is an automatic, general and sample-efficient method to solve these problems with minimal knowledge of the…

Machine Learning · Computer Science 2024-02-20 Carl Hvarfner , Frank Hutter , Luigi Nardi

Many real-time systems require the optimization of discrete variables. Black-box optimization (BBO) algorithms and multi-armed bandit (MAB) algorithms perform optimization by repeatedly taking actions and observing the corresponding instant…

Artificial Intelligence · Computer Science 2025-06-23 Tomoya Kashimata , Yohei Hamakawa , Masaya Yamasaki , Kosuke Tatsumura

Global optimization of expensive, derivative-free black-box functions requires extreme sample efficiency. While Bayesian optimization (BO) is the current state-of-the-art, its performance hinges on surrogate and acquisition function…

Extending a recent suggestion to generate new instances for numerical black-box optimization benchmarking by interpolating pairs of the well-established BBOB functions from the COmparing COntinuous Optimizers (COCO) platform, we propose in…

Machine Learning · Computer Science 2023-06-21 Diederick Vermetten , Furong Ye , Thomas Bäck , Carola Doerr

Bayesian optimization and Lipschitz optimization have developed alternative techniques for optimizing black-box functions. They each exploit a different form of prior about the function. In this work, we explore strategies to combine these…

Machine Learning · Computer Science 2020-07-29 Mohamed Osama Ahmed , Sharan Vaswani , Mark Schmidt

Black-box optimization has potential in numerous applications such as hyperparameter optimization in machine learning and optimization in design of experiments. Ising machines are useful for binary optimization problems because variables…

Machine Learning · Computer Science 2022-09-05 Yuya Seki , Ryo Tamura , Shu Tanaka

While Bayesian Optimization (BO) is a very popular method for optimizing expensive black-box functions, it fails to leverage the experience of domain experts. This causes BO to waste function evaluations on bad design choices (e.g., machine…

Machine Learning · Computer Science 2021-04-20 Artur Souza , Luigi Nardi , Leonardo B. Oliveira , Kunle Olukotun , Marius Lindauer , Frank Hutter

Bayesian Optimization (BO) is an efficient tool for optimizing black-box functions, but its theoretical guarantees typically hold in the asymptotic regime. In many critical real-world applications such as drug discovery or materials design,…

Machine Learning · Computer Science 2025-11-04 Diantong Li , Kyunghyun Cho , Chong Liu

Bayesian optimization (BO) is a popular method to optimize costly black-box functions. While traditional BO optimizes each new target task from scratch, meta-learning has emerged as a way to leverage knowledge from related tasks to optimize…

Machine Learning · Computer Science 2024-07-01 Jiarong Pan , Stefan Falkner , Felix Berkenkamp , Joaquin Vanschoren

Bayesian optimization (BO) and its batch extensions are successful for optimizing expensive black-box functions. However, these traditional BO approaches are not yet ideal for optimizing less expensive functions when the computational cost…

Machine Learning · Computer Science 2018-11-06 Vu Nguyen , Sunil Gupta , Santu Rana , Cheng Li , Svetha Venkatesh

Bayesian optimization (BO) is a widely-used sequential method for zeroth-order optimization of complex and expensive-to-compute black-box functions. The existing BO methods assume that the function evaluation (feedback) is available to the…

Machine Learning · Computer Science 2022-06-22 Arun Verma , Zhongxiang Dai , Bryan Kian Hsiang Low

When faced with a limited budget of function evaluations, state-of-the-art black-box optimization (BBO) solvers struggle to obtain globally, or sometimes even locally, optimal solutions. In such cases, one may pursue solution polishing,…

Optimization and Control · Mathematics 2024-02-20 Dimitri Papageorgiou , Jan Kronqvist , Asha Ramanujam , James Kor , Youngdae Kim , Can Li

Automatic Machine Learning (Auto-ML) systems tackle the problem of automating the design of prediction models or pipelines for data science. In this paper, we present Lifelong Bayesian Optimization (LBO), an online, multitask Bayesian…

Machine Learning · Statistics 2019-06-24 Yao Zhang , James Jordon , Ahmed M. Alaa , Mihaela van der Schaar