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We introduce Bayesian optimization, a technique developed for optimizing time-consuming engineering simulations and for fitting machine learning models on large datasets. Bayesian optimization guides the choice of experiments during…

Machine Learning · Statistics 2017-11-22 Peter I. Frazier , Jialei Wang

Initialization profoundly affects evolutionary algorithm (EA) efficacy by dictating search trajectories and convergence. This study introduces a hybrid initialization strategy combining empty-space search algorithm (ESA) and…

Neural and Evolutionary Computing · Computer Science 2025-05-12 Xinyu Zhang , Mário Antunes , Tyler Estro , Erez Zadok , Klaus Mueller

The search ability of an Evolutionary Algorithm (EA) depends on the variation among the individuals in the population [3, 4, 8]. Maintaining an optimal level of diversity in the EA population is imperative to ensure that progress of the EA…

Neural and Evolutionary Computing · Computer Science 2015-10-27 Maumita Bhattacharya

The ideal objective vector, which comprises the optimal values of the $m$ objective functions in an $m$-objective optimization problem, is an important concept in evolutionary multi-objective optimization. Accurate estimation of this vector…

Neural and Evolutionary Computing · Computer Science 2025-05-29 Ruihao Zheng , Zhenkun Wang , Yin Wu , Maoguo Gong

This paper deals with the identification of linear stochastic dynamical systems, where the unknowns include system coefficients and noise variances. Conventional approaches that rely on the maximum likelihood estimation (MLE) require…

Machine Learning · Statistics 2025-08-18 Jinwen Xu , Qin Lu , Yaakov Bar-Shalom

Bayesian optimization (BO) is a widely-used method for optimizing expensive (to evaluate) problems. At the core of most BO methods is the modeling of the objective function using a Gaussian Process (GP) whose covariance is selected from a…

While many advanced statistical methods for the design of experiments exist, it is still typical for physical experiments to be performed adaptively based on human intuition. As a consequence, experimental resources are wasted on…

Methodology · Statistics 2025-03-04 Anton van Beek

When learning to ride a bike, a child falls down a number of times before achieving the first success. As falling down usually has only mild consequences, it can be seen as a tolerable failure in exchange for a faster learning process, as…

Machine Learning · Computer Science 2020-05-18 Alonso Marco , Alexander von Rohr , Dominik Baumann , José Miguel Hernández-Lobato , Sebastian Trimpe

Software model optimization is the task of automatically generate design alternatives, usually to improve quality aspects of software that are quantifiable, like performance and reliability. In this context, multi-objective optimization…

Software Engineering · Computer Science 2024-01-31 Daniele Di Pompeo , Michele Tucci

Given a ground set of items, the result diversification problem aims to select a subset with high "quality" and "diversity" while satisfying some constraints. It arises in various real-world artificial intelligence applications, such as…

Neural and Evolutionary Computing · Computer Science 2022-05-10 Chao Qian , Dan-Xuan Liu , Zhi-Hua Zhou

Understanding how evolutionary algorithms perform on constrained problems has gained increasing attention in recent years. In this paper, we study how evolutionary algorithms optimize constrained versions of the classical LeadingOnes…

Neural and Evolutionary Computing · Computer Science 2023-05-30 Tobias Friedrich , Timo Kötzing , Aneta Neumann , Frank Neumann , Aishwarya Radhakrishnan

The Makespan Scheduling problem is an extensively studied NP-hard problem, and its simplest version looks for an allocation approach for a set of jobs with deterministic processing times to two identical machines such that the makespan is…

Neural and Evolutionary Computing · Computer Science 2025-04-25 Feng Shi , Daoyu Huang , Xiankun Yan , Frank Neumann

Bayesian optimisation (BO) uses probabilistic surrogate models - usually Gaussian processes (GPs) - for the optimisation of expensive black-box functions. At each BO iteration, the GP hyperparameters are fit to previously-evaluated data by…

Machine Learning · Computer Science 2021-05-04 George De Ath , Richard Everson , Jonathan Fieldsend

Bayesian optimization (BO) has become a popular strategy for global optimization of many expensive real-world functions. Contrary to a common belief that BO is suited to optimizing black-box functions, it actually requires domain knowledge…

Machine Learning · Computer Science 2022-07-08 Zi Wang , George E. Dahl , Kevin Swersky , Chansoo Lee , Zelda Mariet , Zachary Nado , Justin Gilmer , Jasper Snoek , Zoubin Ghahramani

Software model optimization is a process that automatically generates design alternatives aimed at improving quantifiable non-functional properties of software systems, such as performance and reliability. Multi-objective evolutionary…

Software Engineering · Computer Science 2025-11-04 J. Andres Diaz-Pace , Daniele Di Pompeo , Michele Tucci

Bayesian Optimization (BO) is a class of surrogate-based, sample-efficient algorithms for optimizing black-box problems with small evaluation budgets. The BO pipeline itself is highly configurable with many different design choices…

Machine Learning · Computer Science 2023-07-03 Carolin Benjamins , Elena Raponi , Anja Jankovic , Carola Doerr , Marius Lindauer

Bayesian Optimization (BO) is a method for globally optimizing black-box functions. While BO has been successfully applied to many scenarios, developing effective BO algorithms that scale to functions with high-dimensional domains is still…

Machine Learning · Computer Science 2024-02-13 Yihang Shen , Carl Kingsford

We consider Bayesian optimization of expensive-to-evaluate experiments that generate vector-valued outcomes over which a decision-maker (DM) has preferences. These preferences are encoded by a utility function that is not known in closed…

Machine Learning · Computer Science 2022-03-23 Zhiyuan Jerry Lin , Raul Astudillo , Peter I. Frazier , Eytan Bakshy

Many expensive black-box optimisation problems are sensitive to their inputs. In these problems it makes more sense to locate a region of good designs, than a single-possibly fragile-optimal design. Expensive black-box functions can be…

Machine Learning · Computer Science 2021-12-16 Nicholas D. Sanders , Richard M. Everson , Jonathan E. Fieldsend , Alma A. M. Rahat

Optimization is becoming increasingly common in scientific and engineering domains. Oftentimes, these problems involve various levels of stochasticity or uncertainty in generating proposed solutions. Therefore, optimization in these…

Machine Learning · Statistics 2020-06-05 Peter D. Tonner , Daniel V. Samarov , A. Gilad Kusne