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Bayesian optimization (BO) methods often rely on the assumption that the objective function is well-behaved, but in practice, this is seldom true for real-world objectives even if noise-free observations can be collected. Common approaches,…

Machine Learning · Statistics 2020-09-10 Erik Bodin , Markus Kaiser , Ieva Kazlauskaite , Zhenwen Dai , Neill D. F. Campbell , Carl Henrik Ek

We introduce a surrogate-based black-box optimization method, termed Polynomial-model-based optimization (PMBO). The algorithm alternates polynomial approximation with Bayesian optimization steps, using Gaussian processes to model the error…

Optimization and Control · Mathematics 2024-03-13 Janina Schreiber , Pau Batlle , Damar Wicaksono , Michael Hecht

This work aims at developing new methodologies to optimize computational costly complex systems (e.g., aeronautical engineering systems). The proposed surrogate-based method (often called Bayesian optimization) uses adaptive sampling to…

Many real-world multi-objective optimisation problems rely on computationally expensive function evaluations. Multi-objective Bayesian optimisation (BO) can be used to alleviate the computation time to find an approximated set of Pareto…

Machine Learning · Statistics 2022-04-29 Tinkle Chugh

Adaptive designs are increasingly used in clinical trials and online experiments to improve participant outcomes by dynamically updating treatment allocation as data accumulate. In practice, experimenters often consider multiple candidate…

Methodology · Statistics 2026-04-08 Wenxin Zhang , Aaron Hudson , Maya Petersen , Mark van der Laan

The advent of noisy intermediate-scale quantum computers has put the search for possible applications to the forefront of quantum information science. One area where hopes for an advantage through near-term quantum computers are high is…

Quantum Physics · Physics 2023-09-11 Franz J. Schreiber , Jens Eisert , Johannes Jakob Meyer

In constraint learning, we use a neural network as a surrogate for part of the constraints or of the objective function of an optimization model. However, the tractability of the resulting model is heavily influenced by the size of the…

Optimization and Control · Mathematics 2026-03-19 Hung Pham , Aiden Ren , Ibrahim Tahir , Jiatai Tong , Thiago Serra

A new strategy for fair supervised machine learning is proposed. The main advantages of the proposed strategy as compared to others in the literature are as follows. (a) We introduce a new smooth nonconvex surrogate to approximate the…

Machine Learning · Computer Science 2025-10-23 Zahra Khatti , Daniel P. Robinson , Frank E. Curtis

One of the potential solutions for model interpretation is to train a surrogate model: a more transparent model that approximates the behavior of the model to be explained. Typically, classification rules or decision trees are used due to…

Human-Computer Interaction · Computer Science 2022-01-20 Jun Yuan , Brian Barr , Kyle Overton , Enrico Bertini

Many real-world optimization problems consist of multiple tightly coupled subproblems whose solutions must be coordinated to achieve high overall performance. However, existing large language model driven automated heuristic design…

Neural and Evolutionary Computing · Computer Science 2026-05-08 Thomas Bömer , Bastian Amberg , Max Disselnmeyer , Anne Meyer

Fair algorithm evaluation is conditioned on the existence of high-quality benchmark datasets that are non-redundant and are representative of typical optimization scenarios. In this paper, we evaluate three heuristics for selecting diverse…

Neural and Evolutionary Computing · Computer Science 2022-04-26 Gjorgjina Cenikj , Ryan Dieter Lang , Andries Petrus Engelbrecht , Carola Doerr , Peter Korošec , Tome Eftimov

Surrogate-assisted Evolutionary Algorithms~(SAEAs) have shown promising robustness in solving expensive optimization problems. A key aspect that impacts SAEAs' effectiveness is surrogate model selection, which in existing works is…

Neural and Evolutionary Computing · Computer Science 2026-02-03 Yuxin Wu , Hongshu Guo , Ting Huang , Yue-Jiao Gong , Zeyuan Ma

The generalized assignment problem with routing constraints, e.g. the vehicle routing problem, has essential practical relevance. This paper focuses on addressing the complexities of the problem by learning a surrogate model with reduced…

Optimization and Control · Mathematics 2024-05-24 Sen Xue , Chuanhou Gao

Recent advancements in Markov chain Monte Carlo (MCMC) sampling and surrogate modelling have significantly enhanced the feasibility of Bayesian analysis across engineering fields. However, the selection and integration of surrogate models…

Computational Physics · Physics 2024-11-22 Leon Riccius , Iuri B. C. M. Rocha , Joris Bierkens , Hanne Kekkonen , Frans P. van der Meer

It has been shown that cooperative coevolution (CC) can effectively deal with large scale optimization problems (LSOPs) through a divide-and-conquer strategy. However, its performance is severely restricted by the current…

Neural and Evolutionary Computing · Computer Science 2018-02-28 Zhigang Ren , Bei Pang , Yongsheng Liang , An Chen , Yipeng Zhang

Bayesian Optimization is a popular approach for optimizing expensive black-box functions. Its key idea is to use a surrogate model to approximate the objective and, importantly, quantify the associated uncertainty that allows a sequential…

Machine Learning · Statistics 2025-02-05 Haoxian Chen , Henry Lam

We are interested in building low-dimensional surrogate models to reduce optimization costs, while having theoretical guarantees that the optimum will satisfy the constraints of the full-size model, by making conservative approximations.…

Numerical Analysis · Mathematics 2025-11-12 Philippe-André Luneau

Symbolic Regression (SR) is a regression method that aims to discover mathematical expressions that describe the relationship between variables, and it is often implemented through Genetic Programming, a metaphor for the process of…

Neural and Evolutionary Computing · Computer Science 2025-12-02 Guilherme Seidyo Imai Aldeia

Decision support systems often rely on solving complex optimization problems that may require to estimate uncertain parameters beforehand. Recent studies have shown how using traditionally trained estimators for this task can lead to…

Machine Learning · Computer Science 2025-12-19 Gaetano Signorelli , Michele Lombardi

We study a class of prediction problems in which relatively few observations have associated responses, but all observations include both standard covariates as well as additional "helper" covariates. While the end goal is to make…

Statistics Theory · Mathematics 2024-12-13 Eric Xia , Martin J. Wainwright