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In the field of multi-objective optimization algorithms, multi-objective Bayesian Global Optimization (MOBGO) is an important branch, in addition to evolutionary multi-objective optimization algorithms (EMOAs). MOBGO utilizes Gaussian…

Machine Learning · Computer Science 2019-06-14 Kaifeng Yang , Michael Emmerich , André Deutz , Thomas Bäck

The expected improvement algorithm (or efficient global optimization) aims for global continuous optimization with a limited budget of black-box function evaluations. It is based on a statistical model of the function learned from previous…

Data Structures and Algorithms · Computer Science 2014-09-01 Iris Hupkens , Michael Emmerich , André Deutz

In many real-world scenarios, decision makers seek to efficiently optimize multiple competing objectives in a sample-efficient fashion. Multi-objective Bayesian optimization (BO) is a common approach, but many of the best-performing…

Machine Learning · Statistics 2020-11-12 Samuel Daulton , Maximilian Balandat , Eytan Bakshy

Hypervolume (HV)-based Bayesian optimization (BO) is one of the standard approaches for multi-objective decision-making. However, the computational cost of optimizing the acquisition function remains a significant bottleneck, primarily due…

Machine Learning · Computer Science 2025-12-08 Shuhei Watanabe

Optimizing multiple competing objectives is a common problem across science and industry. The inherent inextricable trade-off between those objectives leads one to the task of exploring their Pareto front. A meaningful quantity for the…

Machine Learning · Computer Science 2023-10-24 Jim Boelrijk , Bernd Ensing , Patrick Forré

Many methods for performing multi-objective optimisation of computationally expensive problems have been proposed recently. Typically, a probabilistic surrogate for each objective is constructed from an initial dataset. The surrogates can…

Machine Learning · Computer Science 2022-06-17 Alma Rahat , Tinkle Chugh , Jonathan Fieldsend , Richard Allmendinger , Kaisa Miettinen

Optimizing multiple competing black-box objectives is a challenging problem in many fields, including science, engineering, and machine learning. Multi-objective Bayesian optimization (MOBO) is a sample-efficient approach for identifying…

Machine Learning · Computer Science 2021-10-28 Samuel Daulton , Maximilian Balandat , Eytan Bakshy

Hypervolume improvement (HVI) is commonly employed in multi-objective Bayesian optimization algorithms to define acquisition functions due to its Pareto-compliant property. Rather than focusing on specific statistical moments of HVI, this…

Machine Learning · Computer Science 2024-05-07 Hao Wang , Kaifeng Yang , Michael Affenzeller

In this article, we present a framework for taking into account user preferences in multi-objective Bayesian optimization in the case where the objectives are expensive-to-evaluate black-box functions. A novel expected improvement criterion…

Optimization and Control · Mathematics 2018-09-17 Paul Feliot , Julien Bect , Emmanuel Vazquez

For regular Pareto Fronts (PFs), such as those that are smooth, continuous, and uniformly distributed, using fixed weight vectors is sufficient for multi-objective optimization approaches using decomposition. However, when encountering…

Neural and Evolutionary Computing · Computer Science 2025-11-18 Xiaojing Han , Yuanxin Li

We propose a new approach to the computation of the hypervolume indicator, based on partitioning the dominated region into a set of axis-parallel hyperrectangles or boxes. We present a nonincremental algorithm and an incremental algorithm,…

Discrete Mathematics · Computer Science 2015-10-09 Renaud Lacour , Kathrin Klamroth , Carlos M. Fonseca

We present a new algorithm to calculate exact hypervolumes. Given a set of $d$-dimensional points, it computes the hypervolume of the dominated space. Determining this value is an important subroutine of Multiobjective Evolutionary…

Data Structures and Algorithms · Computer Science 2012-11-30 Luís M. S. Russo , Alexandre P. Francisco

Bayesian optimization (BO) protocol based on Active Learning (AL) principles has garnered significant attention due to its ability to optimize black-box objective functions efficiently. This capability is a prerequisite for guiding…

Chemical Physics · Physics 2024-08-07 Osman Mamun , Markus Bause , Bhuiyan Shameem Mahmud Ebna Hai

Evolutionary algorithms (EAs) are the preferred method for solving black-box multi-objective optimization problems, but when gradients of the objective functions are available, it is not straightforward to exploit these efficiently. By…

Optimization and Control · Mathematics 2021-02-23 Timo M. Deist , Stefanus C. Maree , Tanja Alderliesten , Peter A. N. Bosman

We present a multi-objective Bayesian optimisation algorithm that allows the user to express preference-order constraints on the objectives of the type "objective A is more important than objective B". These preferences are defined based on…

Machine Learning · Computer Science 2019-11-14 Majid Abdolshah , Alistair Shilton , Santu Rana , Sunil Gupta , Svetha Venkatesh

This paper studies an accelerated fitted value iteration (FVI) algorithm to solve high-dimensional Markov decision processes (MDPs). FVI is an approximate dynamic programming algorithm that has desirable theoretical properties. However, it…

Optimization and Control · Mathematics 2020-11-30 Sixiang Zhao , William B. Haskell , Michel-Alexandre Cardin

Bayesian optimization is a widely used technique for optimizing black-box functions, with Expected Improvement (EI) being the most commonly utilized acquisition function in this domain. While EI is often viewed as distinct from other…

Machine Learning · Statistics 2025-03-11 Nuojin Cheng , Stephen Becker

Multi-objective Bayesian optimization (MOBO) provides a principled framework for navigating trade-offs in molecular design. However, its empirical advantages over scalarized alternatives remain underexplored. We benchmark a simple…

Machine Learning · Computer Science 2025-12-25 Anabel Yong , Austin Tripp , Layla Hosseini-Gerami , Brooks Paige

High-dimensional Bayesian optimization (BO) tasks such as molecular design often require 10,000 function evaluations before obtaining meaningful results. While methods like sparse variational Gaussian processes (SVGPs) reduce computational…

Machine Learning · Computer Science 2025-06-11 Natalie Maus , Kyurae Kim , Geoff Pleiss , David Eriksson , John P. Cunningham , Jacob R. Gardner

Decomposition has become an increasingly popular technique for evolutionary multi-objective optimization (EMO). A decomposition-based EMO algorithm is usually designed to approximate a whole Pareto-optimal front (PF). However, in practice,…

Neural and Evolutionary Computing · Computer Science 2018-10-02 Ke Li , Renzhi Chen , Dragan Savic , Xin Yao
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