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Application domains of Bayesian optimization include optimizing black-box functions or very complex functions. The functions we are interested in describe complex real-world systems applied in industrial settings. Even though they do have…

Machine Learning · Computer Science 2021-06-14 Franz Brauße , Zurab Khasidashvili , Konstantin Korovin

Black-box optimization is increasingly used in engineering design problems where simulation-based evaluations are costly and gradients are unavailable. In this context, the optimization community has largely analyzed algorithm performance…

Neural and Evolutionary Computing · Computer Science 2026-02-06 Iván Olarte Rodríguez , Gokhan Serhat , Mariusz Bujny , Fabian Duddeck , Thomas Bäck , Elena Raponi

Benchmarking optimization algorithms is fundamental for the advancement of computational intelligence. However, widely adopted artificial test suites exhibit limited correspondence with the diversity and complexity of real-world engineering…

Computational Engineering, Finance, and Science · Computer Science 2026-04-17 Stefan Ivić , Siniša Družeta , Luka Grbčić

In this paper, we develop a ytopt autotuning framework that leverages Bayesian optimization to explore the parameter space search and compare four different supervised learning methods within Bayesian optimization and evaluate their…

Machine Learning · Computer Science 2021-04-28 Xingfu Wu , Michael Kruse , Prasanna Balaprakash , Hal Finkel , Paul Hovland , Valerie Taylor , Mary Hall

Neural Networks have become one of the most successful universal machine learning algorithms. They play a key role in enabling machine vision and speech recognition for example. Their computational complexity is enormous and comes along…

Hardware Architecture · Computer Science 2019-11-19 Michaela Blott , Lisa Halder , Miriam Leeser , Linda Doyle

Tree ensembles can be well-suited for black-box optimization tasks such as algorithm tuning and neural architecture search, as they achieve good predictive performance with little or no manual tuning, naturally handle discrete feature…

Hyperparameter optimization and neural architecture search can become prohibitively expensive for regular black-box Bayesian optimization because the training and evaluation of a single model can easily take several hours. To overcome this,…

Bayesian optimisation is a powerful tool to solve expensive black-box problems, but fails when the stationary assumption made on the objective function is strongly violated, which is the case in particular for ill-conditioned or…

Machine Learning · Statistics 2019-12-06 Victor Picheny , Sattar Vakili , Artem Artemev

Bayesian Optimization is a sample-efficient black-box optimization procedure that is typically applied to problems with a small number of independent objectives. However, in practice we often wish to optimize objectives defined over many…

Machine Learning · Computer Science 2021-10-29 Wesley J. Maddox , Maximilian Balandat , Andrew Gordon Wilson , Eytan Bakshy

Building surrogate models is one common approach when we attempt to learn unknown black-box functions. Bayesian optimization provides a framework which allows us to build surrogate models based on sequential samples drawn from the function…

Machine Learning · Computer Science 2021-09-17 Hengrui Luo , James W. Demmel , Younghyun Cho , Xiaoye S. Li , Yang Liu

Automatic Chemical Design is a framework for generating novel molecules with optimized properties. The original scheme, featuring Bayesian optimization over the latent space of a variational autoencoder, suffers from the pathology that it…

Machine Learning · Statistics 2019-08-13 Ryan-Rhys Griffiths , José Miguel Hernández-Lobato

Bayesian calibration of black-box computer models offers an established framework to obtain a posterior distribution over model parameters. Traditional Bayesian calibration involves the emulation of the computer model and an additive model…

Machine Learning · Statistics 2018-10-30 Sébastien Marmin , Maurizio Filippone

Benchmarking has driven scientific progress in Evolutionary Computation, yet current practices fall short of real-world needs. Widely used synthetic suites such as BBOB and CEC isolate algorithmic phenomena but poorly reflect the structure,…

As a research community, we are still lacking a systematic understanding of the progress on adversarial robustness which often makes it hard to identify the most promising ideas in training robust models. A key challenge in benchmarking…

This paper presents a Bayesian optimization framework for the automatic tuning of shared controllers which are defined as a Model Predictive Control (MPC) problem. The proposed framework includes the design of performance metrics as well as…

Recent work on Bayesian optimization has shown its effectiveness in global optimization of difficult black-box objective functions. Many real-world optimization problems of interest also have constraints which are unknown a priori. In this…

Machine Learning · Statistics 2014-03-25 Michael A. Gelbart , Jasper Snoek , Ryan P. Adams

High-dimensional black-box optimisation remains an important yet notoriously challenging problem. Despite the success of Bayesian optimisation methods on continuous domains, domains that are categorical, or that mix continuous and…

Machine Learning · Statistics 2021-06-11 Xingchen Wan , Vu Nguyen , Huong Ha , Binxin Ru , Cong Lu , Michael A. Osborne

Bayesian optimization (BO) is an efficient framework for solving black-box optimization problems with expensive function evaluations. This paper addresses the BO problem setting for combinatorial spaces (e.g., sequences and graphs) that…

Machine Learning · Computer Science 2022-02-07 Aryan Deshwal , Syrine Belakaria , Janardhan Rao Doppa

A prompt is a sequence of symbol or tokens, selected from a vocabulary according to some rule, which is prepended/concatenated to a textual query. A key problem is how to select the sequence of tokens: in this paper we formulate it as a…

Machine Learning · Computer Science 2023-12-04 Antonio Sabbatella , Andrea Ponti , Antonio Candelieri , Ilaria Giordani , Francesco Archetti

A wide spectrum of design and decision problems, including parameter tuning, A/B testing and drug design, intrinsically are instances of black-box optimization. Bayesian optimization (BO) is a powerful tool that models and optimizes such…

Machine Learning · Computer Science 2023-02-14 Tianyi Bai , Yang Li , Yu Shen , Xinyi Zhang , Wentao Zhang , Bin Cui