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Automated experimentation has the potential to revolutionize scientific discovery, but its effectiveness depends on well-defined optimization targets, which are often uncertain or probabilistic in real-world settings. In this work, we…

Machine Learning · Computer Science 2025-04-10 Yu Liu , Sergei V. Kalinin

This paper addresses the Flexible Job Shop Scheduling Problem and its extension with Worker Flexibility, which integrates workforce assignment into machine-operation scheduling. Diverse solvers have been proposed across multiple…

Neural and Evolutionary Computing · Computer Science 2026-05-06 David Hutter , Thomas Steinberger , Michael Hellwig

Some real problems require the evaluation of expensive and noisy objective functions. Moreover, the analytical expression of these objective functions may be unknown. These functions are known as black-boxes, for example, estimating the…

Machine Learning · Statistics 2021-07-12 Lucia Asencio Martín , Eduardo C. Garrido-Merchán

Batch Bayesian optimisation and Bayesian quadrature have been shown to be sample-efficient methods of performing optimisation and quadrature where expensive-to-evaluate objective functions can be queried in parallel. However, current…

Machine Learning · Computer Science 2023-07-06 Masaki Adachi , Satoshi Hayakawa , Saad Hamid , Martin Jørgensen , Harald Oberhauser , Micheal A. Osborne

Multi-objective integer or mixed-integer programming problems typically have disconnected feasible domains, making the task of constructing an approximation of the Pareto front challenging. The present paper shows that certain algorithms…

Optimization and Control · Mathematics 2021-05-25 Regina S. Burachik , C. Yalçın Kaya , M. Mustafa Rizvi

Creating meaningful interpretations for black-box machine learning models involves balancing two often conflicting objectives: accuracy and explainability. Exploring the trade-off between these objectives is essential for developing…

Machine Learning · Computer Science 2025-08-22 Aniruddha Joshi , Supratik Chakraborty , S Akshay , Shetal Shah , Hazem Torfah , Sanjit Seshia

Balancing competing objectives is omnipresent across disciplines, from drug design to autonomous systems. Multi-objective Bayesian optimization is a promising solution for such expensive, black-box problems: it fits probabilistic surrogates…

Machine Learning · Computer Science 2026-05-13 Xinyu Zhang , Conor Hassan , Julien Martinelli , Daolang Huang , Samuel Kaski

Due to the high computational demands executing a rigorous comparison between hyperparameter optimization (HPO) methods is often cumbersome. The goal of this paper is to facilitate a better empirical evaluation of HPO methods by providing…

Machine Learning · Computer Science 2019-05-14 Aaron Klein , Frank Hutter

Parallelisation in Bayesian optimisation is a common strategy but faces several challenges: the need for flexibility in acquisition functions and kernel choices, flexibility dealing with discrete and continuous variables simultaneously,…

Machine Learning · Computer Science 2024-04-22 Masaki Adachi , Satoshi Hayakawa , Martin Jørgensen , Saad Hamid , Harald Oberhauser , Michael A. Osborne

Benchmark quality is critical for meaningful evaluation and sustained progress in time series forecasting, particularly with the rise of pretrained models. Existing benchmarks often have limited domain coverage or overlook real-world…

In this work we rigorously analyse assumptions inherent to black-box optimisation hyper-parameter tuning tasks. Our results on the Bayesmark benchmark indicate that heteroscedasticity and non-stationarity pose significant challenges for…

Benchmarking the performance of quantum optimization algorithms is crucial for identifying utility for industry-relevant use cases. Benchmarking processes vary between optimization applications and depend on user-specified goals. The…

Design problems in industrial engineering often involve a large number of design variables with multiple objectives, under complex nonlinear constraints. The algorithms for multiobjective problems can be significantly different from the…

Optimization and Control · Mathematics 2013-03-27 Xin-She Yang

Because of its sample efficiency, Bayesian optimization (BO) has become a popular approach dealing with expensive black-box optimization problems, such as hyperparameter optimization (HPO). Recent empirical experiments showed that the loss…

Machine Learning · Computer Science 2021-11-11 Difan Deng , Marius Lindauer

The automatic configuration of Mixed-Integer Programming (MIP) optimizers has become increasingly critical as the large number of configurations can significantly affect solver performance. Yet the lack of standardized evaluation frameworks…

Optimization and Control · Mathematics 2025-09-30 Hongpei Li , Ziyan He , Yufei Wang , Wenting Tu , Shanwen Pu , Qi Deng , Dongdong Ge

Benchmark Design in Black-Box Optimization (BBO) is a fundamental yet open-ended topic. Early BBO benchmarks are predominantly human-crafted, introducing expert bias and constraining diversity. Automating this design process can relieve the…

Neural and Evolutionary Computing · Computer Science 2026-02-03 Chen Wang , Sijie Ma , Zeyuan Ma , Yue-Jiao Gong

Real-world problems often involve the optimization of several objectives under multiple constraints. An example is the hyper-parameter tuning problem of machine learning algorithms. In particular, the minimization of the estimation of the…

Machine Learning · Statistics 2021-07-02 Eduardo C. Garrido-Merchán , Daniel Hernández-Lobato

Dynamic multiobjective optimisation has gained increasing attention in recent years. Test problems are of great importance in order to facilitate the development of advanced algorithms that can handle dynamic environments well. However,…

Neural and Evolutionary Computing · Computer Science 2019-03-07 Shouyong Jiang , Marcus Kaiser , Shengxiang Yang , Stefanos Kollias , Natalio Krasnogor

Multi-objective optimization is a crucial matter in computer systems design space exploration because real-world applications often rely on a trade-off between several objectives. Derivatives are usually not available or impractical to…

Machine Learning · Computer Science 2019-07-26 Luigi Nardi , David Koeplinger , Kunle Olukotun

Although optimization is the longstanding algorithmic backbone of machine learning, new models still require the time-consuming implementation of new solvers. As a result, there are thousands of implementations of optimization algorithms…

Machine Learning · Computer Science 2019-06-03 Sören Laue , Matthias Mitterreiter , Joachim Giesen
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