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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,…

Machine Learning · Computer Science 2024-01-30 Joel A. Paulson , Calvin Tsay

In this paper, we present a toolbox for a specific optimization problem that frequently arises in bioinformatics or genomics. In this specific optimisation problem, the state space is a set of words of specified length over a finite…

Artificial Intelligence · Computer Science 2017-06-27 Régis Garnier , Christophe Guyeux , Stéphane Chrétien

Bayesian optimization (BO) offers an efficient pipeline for optimizing black-box functions with the help of a Gaussian process prior and an acquisition function (AF). Recently, in the context of single-objective BO, learning-based AFs…

Machine Learning · Computer Science 2025-05-30 Yu-Heng Hung , Kai-Jie Lin , Yu-Heng Lin , Chien-Yi Wang , Cheng Sun , Ping-Chun Hsieh

Data generation and analysis is a fundamental aspect of many industries and disciplines, from strategic decision making in business to research in the physical and social sciences. However, data generated using software and algorithms can…

Software Engineering · Computer Science 2023-10-19 Ernesto Giralt Hernández

Exploiting knowledge about the structure of a problem can greatly benefit the efficiency and scalability of an Evolutionary Algorithm (EA). Model-Based EAs (MBEAs) are capable of doing this by explicitly modeling the problem structure. The…

Neural and Evolutionary Computing · Computer Science 2023-05-11 Anton Bouter , Peter A. N. Bosman

We investigate feature selection problem for generic machine learning models. We introduce a novel framework that selects features considering the outcomes of the model. Our framework introduces a novel feature masking approach to eliminate…

Machine Learning · Computer Science 2024-12-10 Mehmet E. Lorasdagi , Mehmet Y. Turali , Suleyman S. Kozat

This paper introduces a Multi-Strategy Improved Black Widow Optimization Algorithm (MSBWOA), designed to enhance the performance of the standard Black Widow Algorithm (BW) in solving complex optimization problems. The proposed algorithm…

Neural and Evolutionary Computing · Computer Science 2023-12-22 Xin Xu

This paper introduces a modular framework for Mixed-variable and Combinatorial Bayesian Optimization (MCBO) to address the lack of systematic benchmarking and standardized evaluation in the field. Current MCBO papers often introduce…

Machine Learning · Computer Science 2023-12-12 Kamil Dreczkowski , Antoine Grosnit , Haitham Bou Ammar

Bayesian optimization (BO ) is an effective method for optimizing expensive-to-evaluate black-box functions. While high-dimensional problems can be particularly challenging, due to the multitude of parameter choices and the potentially high…

Machine Learning · Computer Science 2025-04-09 Erik Hellsten , Carl Hvarfner , Leonard Papenmeier , Luigi Nardi

Black-box optimization algorithms have been widely used in various machine learning problems, including reinforcement learning and prompt fine-tuning. However, directly optimizing the training loss value, as commonly done in existing…

Machine Learning · Computer Science 2024-10-17 Feiyang Ye , Yueming Lyu , Xuehao Wang , Masashi Sugiyama , Yu Zhang , Ivor Tsang

Many problems in science and engineering involve optimizing an expensive black-box function over a high-dimensional space. For such black-box optimization (BBO) problems, we typically assume a small budget for online function evaluations,…

Machine Learning · Computer Science 2023-08-22 Siddarth Krishnamoorthy , Satvik Mehul Mashkaria , Aditya Grover

Optimization benchmarks play a fundamental role in assessing algorithm performance; however, existing artificial benchmarks often fail to capture the diversity and irregularity of real-world problem structures, while benchmarks derived from…

Neural and Evolutionary Computing · Computer Science 2026-01-26 Yuhiro Ono , Tomohiro Harada , Yukiya Miura

Bayesian optimization (BO) is widely used to optimize expensive-to-evaluate black-box functions.BO first builds a surrogate model to represent the objective function and assesses its uncertainty. It then decides where to sample by…

Machine Learning · Computer Science 2024-01-25 Jiayu Zhao , Renyu Yang , Shenghao Qiu , Zheng Wang

Black-box optimization (BBO) addresses problems where objectives are accessible only through costly queries without gradients or explicit structure. Classical derivative-free methods -- line search, direct search, and model-based solvers…

Machine Learning · Computer Science 2025-10-01 Morteza Kimiaei , Vyacheslav Kungurtsev

Parameter settings profoundly impact the performance of machine learning algorithms and laboratory experiments. The classical grid search or trial-error methods are exponentially expensive in large parameter spaces, and Bayesian…

Machine Learning · Computer Science 2017-04-18 Vu Nguyen , Santu Rana , Sunil Gupta , Cheng Li , Svetha Venkatesh

Black-box model-based optimization (MBO) problems, where the goal is to find a design input that maximizes an unknown objective function, are ubiquitous in a wide range of domains, such as the design of proteins, DNA sequences, aircraft,…

Machine Learning · Computer Science 2022-02-18 Brandon Trabucco , Xinyang Geng , Aviral Kumar , Sergey Levine

The research area of algorithms with predictions has seen recent success showing how to incorporate machine learning into algorithm design to improve performance when the predictions are correct, while retaining worst-case guarantees when…

Machine Learning · Computer Science 2022-12-06 Michael Dinitz , Sungjin Im , Thomas Lavastida , Benjamin Moseley , Sergei Vassilvitskii

Offline optimization is a fundamental challenge in science and engineering, where the goal is to optimize black-box functions using only offline datasets. This setting is particularly relevant when querying the objective function is…

Machine Learning · Computer Science 2026-01-07 Minsu Kim , Jiayao Gu , Ye Yuan , Taeyoung Yun , Zixuan Liu , Yoshua Bengio , Can Chen

Automated algorithm performance prediction in numerical blackbox optimization often relies on problem characterizations, such as exploratory landscape analysis features. These features are typically used as inputs to machine learning models…

Artificial Intelligence · Computer Science 2025-06-23 Ana Kostovska , Carola Doerr , Sašo Džeroski , Panče Panov , Tome Eftimov

Synthetic Benchmark Problems (SBPs) are commonly used to evaluate the performance of metaheuristic algorithms. However, these SBPs often contain various unrealistic properties, potentially leading to underestimation or overestimation of…

Neural and Evolutionary Computing · Computer Science 2025-10-30 Kaichen Ouyang , Yezhi Xia
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