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We study quantum computing algorithms for solving certain constrained resource allocation problems we coin as Mission Covering Optimization (MCO). We compare formulations of constrained optimization problems using Quantum Annealing…

Quantum Physics · Physics 2022-05-05 Massimiliano Cutugno , Annarita Giani , Paul M. Alsing , Laura Wessing , Austars Schnore

When tackling binary optimization problems using quantum algorithms, the conventional Ising representation and Quantum Approximate Optimization Algorithm (QAOA) encounter difficulties in efficiently handling errors for large-scale problems…

Quantum Physics · Physics 2023-05-16 Ke Wan , Yiwen Liu

Quantum Approximate Optimization Algorithm (QAOA) enables solving combinatorial optimization problems on quantum computers by optimizing variational parameters for quantum circuits. We investigate a simplified approach that combines linear…

Quantum Physics · Physics 2025-05-26 Ryo Sakai , Hiromichi Matsuyama , Wai-Hong Tam , Yu Yamashiro

Existing Bayesian Optimization (BO) methods typically balance exploration and exploitation to optimize costly objective functions. However, these methods often suffer from a significant one-step bias, which may lead to convergence towards…

Machine Learning · Computer Science 2025-10-23 Ruiyao Miao , Junren Xiao , Shiya Tsang , Hui Xiong , Yingnian Wu

The use of quantum annealers in black-box optimization to obtain the desired properties of a product with a small number of trials has attracted attention. However, the application of this technique to engineering design problems is still…

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

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

Bayesian optimization (BO) is a popular method to optimize costly black-box functions. While traditional BO optimizes each new target task from scratch, meta-learning has emerged as a way to leverage knowledge from related tasks to optimize…

Machine Learning · Computer Science 2024-07-01 Jiarong Pan , Stefan Falkner , Felix Berkenkamp , Joaquin Vanschoren

In recent years, solving optimization problems involving black-box simulators has become a point of focus for the machine learning community due to their ubiquity in science and engineering. The simulators describe a forward process…

Machine Learning · Computer Science 2024-06-07 Fabio Valerio Massoli , Tim Bakker , Thomas Hehn , Tribhuvanesh Orekondy , Arash Behboodi

Critical decision-making issues in science, engineering, and industry are based on combinatorial optimization; however, its application is inherently limited by the NP-hard nature of the problem. A specialized paradigm of analogue quantum…

Quantum Physics · Physics 2026-02-04 Rudraksh Sharma , Ravi Katukam , Arjun Nagulapally

Bayesian optimization (BO) is a popular framework to optimize black-box functions. In many applications, the objective function can be evaluated at multiple fidelities to enable a trade-off between the cost and accuracy. To reduce the…

Machine Learning · Computer Science 2020-12-11 Shibo Li , Wei Xing , Mike Kirby , Shandian Zhe

A body of work has been done to automate machine learning algorithm to highlight the importance of model choice. Automating the process of choosing the best forecasting model and its corresponding parameters can result to improve a wide…

Machine Learning · Computer Science 2021-09-02 Nadhir Hassen , Irina Rish

Coherent Ising machines (CIMs) have emerged as specialized quantum hardware for large-scale combinatorial optimization. However, for large instances that remain challenging for classical methods, some platforms support only finite-precision…

Quantum Physics · Physics 2026-03-25 Keming He , Yuehan Zhang , Hongshun Yao , Jin-Guo Liu , Xin Wang

In the rapidly advancing domain of quantum optimization, the confluence of quantum algorithms such as Quantum Annealing (QA) and the Quantum Approximate Optimization Algorithm (QAOA) with robust optimization methodologies presents a…

Quantum Physics · Physics 2024-05-14 Pascal Halffmann , Steve Lenk , Michael Trebing

Bayesian optimization (BO) is a popular paradigm for global optimization of expensive black-box functions, but there are many domains where the function is not completely a black-box. The data may have some known structure (e.g. symmetries)…

Machine Learning · Computer Science 2022-12-08 Samuel Kim , Peter Y. Lu , Charlotte Loh , Jamie Smith , Jasper Snoek , Marin Soljačić

Gradient-free black-box optimization (BBO) is widely used in engineering design and provides a flexible framework for topology optimization (TO), enabling the discovery of high-performing structural designs without requiring gradient…

Neural and Evolutionary Computing · Computer Science 2026-02-03 Jelle Westra , Iván Olarte Rodríguez , Niki van Stein , Thomas Bäck , Elena Raponi

The Quadratic Unconstrained Binary Optimization (QUBO) problems are NP hard; thus, so far, there are no algorithms to solve them efficiently. There are exact methods like the Branch-and-Bound algorithm for smaller problems, and for larger…

Quantum Physics · Physics 2021-06-08 Máté Tibor Veszeli , Gábor Vattay

Several fundamental problems in science and engineering consist of global optimization tasks involving unknown high-dimensional (black-box) functions that map a set of controllable variables to the outcomes of an expensive experiment.…

Machine Learning · Computer Science 2023-09-15 Mohamed Aziz Bhouri , Michael Joly , Robert Yu , Soumalya Sarkar , Paris Perdikaris

Black-box optimization in science and engineering often comes with side information: experts, simulators, pretrained predictors, or heuristics can suggest which candidates look promising. This information can accelerate search, but it can…

Machine Learning · Computer Science 2026-05-08 Nicolas Samuel Blumer , Julien Martinelli , Samuel Kaski

The development of tailored materials for specific applications is an active field of research in chemistry, material science and drug discovery. The number of possible molecules that can be obtained from a set of atomic species grow…