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We propose an extrinsic Bayesian optimization (eBO) framework for general optimization problems on manifolds. Bayesian optimization algorithms build a surrogate of the objective function by employing Gaussian processes and quantify the…

Optimization and Control · Mathematics 2023-01-02 Yihao Fang , Mu Niu , Pokman Cheung , Lizhen Lin

In this paper, we present the Fast Optimizer Benchmark (FOB), a tool designed for evaluating deep learning optimizers during their development. The benchmark supports tasks from multiple domains such as computer vision, natural language…

Machine Learning · Computer Science 2024-06-28 Simon Blauth , Tobias Bürger , Zacharias Häringer , Jörg Franke , Frank Hutter

Bayesian optimisation has proven to be a powerful tool for expensive global black-box optimisation problems. In this paper, we propose new Bayesian optimisation variants of the popular Knowledge Gradient acquisition functions for problems…

Machine Learning · Computer Science 2025-12-22 Xietao Wang Lin , Juan Ungredda , Max Butler , James Town , Alma Rahat , Hemant Singh , Juergen Branke

In many optimization domains, there are multiple different solvers that contribute to the overall state-of-the-art, each performing better on some, and worse on other types of problem instances. Meta-algorithmic approaches, such as…

Optimization and Control · Mathematics 2025-04-16 Lennart Schäpermeier

Decision trees are one of the most useful and popular methods in the machine learning toolbox. In this paper, we consider the problem of learning optimal decision trees, a combinatorial optimization problem that is challenging to solve at…

Machine Learning · Computer Science 2022-07-01 Rahul Mazumder , Xiang Meng , Haoyue Wang

Black box optimization (BBO) focuses on optimizing unknown functions in high-dimensional spaces. In many applications, sampling the unknown function is expensive, imposing a tight sample budget. Ongoing work is making progress on reducing…

Machine Learning · Computer Science 2025-07-29 Rajalaxmi Rajagopalan , Yu-Lin Wei , Romit Roy Choudhury

The pursuit of universal black-box optimization (BBO) algorithms is a longstanding goal. However, unlike domains such as language or vision, where scaling structured data has driven generalization, progress in offline BBO remains hindered…

Machine Learning · Computer Science 2025-06-10 Rong-Xi Tan , Ming Chen , Ke Xue , Yao Wang , Yaoyuan Wang , Sheng Fu , Chao Qian

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

Black-box optimization (BBO) can be used to optimize functions whose analytic form is unknown. A common approach to realising BBO is to learn a surrogate model which approximates the target black-box function which can then be solved via…

Machine Learning · Computer Science 2023-02-10 Jonas Nüßlein , Christoph Roch , Thomas Gabor , Jonas Stein , Claudia Linnhoff-Popien , Sebastian Feld

While research in robust optimization has attracted considerable interest over the last decades, its algorithmic development has been hindered by several factors. One of them is a missing set of benchmark instances that make algorithm…

Optimization and Control · Mathematics 2019-02-11 Marc Goerigk , Stephen J. Maher

In black-box optimization, it is essential to understand why an algorithm instance works on a set of problem instances while failing on others and provide explanations of its behavior. We propose a methodology for formulating an algorithm…

Neural and Evolutionary Computing · Computer Science 2024-02-13 Ana Nikolikj , Sašo Džeroski , Mario Andrés Muñoz , Carola Doerr , Peter Korošec , Tome Eftimov

This paper proposes a new framework to compute finite-horizon safety guarantees for discrete-time piece-wise affine systems with stochastic noise of unknown distributions. The approach is based on a novel approach to synthesise a stochastic…

Systems and Control · Electrical Eng. & Systems 2023-09-12 Frederik Baymler Mathiesen , Licio Romao , Simeon C. Calvert , Alessandro Abate , Luca Laurenti

Bayesian optimization provides an effective method to optimize expensive-to-evaluate black box functions. It has been widely applied to problems in many fields, including notably in computer science, e.g. in machine learning to optimize…

Machine Learning · Computer Science 2025-11-18 Mike Diessner , Joseph O'Connor , Andrew Wynn , Sylvain Laizet , Yu Guan , Kevin Wilson , Richard D. Whalley

Black-box complexity is a complexity theoretic measure for how difficult a problem is to be optimized by a general purpose optimization algorithm. It is thus one of the few means trying to understand which problems are tractable for genetic…

Neural and Evolutionary Computing · Computer Science 2015-03-19 Benjamin Doerr , Timo Kötzing , Johannes Lengler , Carola Winzen

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

We study the problem of feature selection in general machine learning (ML) context, which is one of the most critical subjects in the field. Although, there exist many feature selection methods, however, these methods face challenges such…

Machine Learning · Computer Science 2024-06-18 Mehmet Y. Turali , Mehmet E. Lorasdagi , Ali T. Koc , Suleyman S. Kozat

Bayesian Optimization (BO) is widely used for optimising black-box functions but requires us to specify the length scale hyperparameter, which defines the smoothness of the functions the optimizer will consider. Most current BO algorithms…

Machine Learning · Statistics 2024-11-26 Juliusz Ziomek , Masaki Adachi , Michael A. Osborne

Many engineering problems involve the optimization of computationally expensive models for which derivative information is not readily available. The Bayesian optimization (BO) framework is a particularly promising approach for solving…

Optimization and Control · Mathematics 2022-02-10 Joel A. Paulson , Congwen Lu

Bayesian Optimization (BO) is a sample-efficient optimization algorithm widely employed across various applications. In some challenging BO tasks, input uncertainty arises due to the inevitable randomness in the optimization process, such…

Machine Learning · Computer Science 2023-11-07 Lin Yang , Junlong Lyu , Wenlong Lyu , Zhitang Chen

Benchmark problems play a central role in assessing the performance of numerical optimization algorithms. However, many existing constrained multiobjective optimization benchmark problems rely on overly restricted constructions or lack…

Optimization and Control · Mathematics 2026-04-13 Anne Auger , Dimo Brockhoff , Luka Opravš , Tea Tušar