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Bayesian optimization (BO) with Gaussian process (GP) surrogate models is a powerful black-box optimization method. Acquisition functions are a critical part of a BO algorithm as they determine how the new samples are selected. Some of the…

Machine Learning · Computer Science 2024-12-30 Jingyi Wang , Haowei Wang , Cosmin G. Petra , Nai-Yuan Chiang

We study the problem of constrained efficient global optimization, where both the objective and constraints are expensive black-box functions that can be learned with Gaussian processes. We propose CONFIG (CONstrained efFIcient Global…

Optimization and Control · Mathematics 2025-02-07 Wenjie Xu , Yuning Jiang , Bratislav Svetozarevic , Colin N. Jones

Many applications require optimizing an unknown, noisy function that is expensive to evaluate. We formalize this task as a multi-armed bandit problem, where the payoff function is either sampled from a Gaussian process (GP) or has low RKHS…

Machine Learning · Computer Science 2015-03-13 Niranjan Srinivas , Andreas Krause , Sham M. Kakade , Matthias Seeger

Kernelized bandits, also known as Bayesian optimization (BO), has been a prevalent method for optimizing complicated black-box reward functions. Various BO algorithms have been theoretically shown to enjoy upper bounds on their cumulative…

Machine Learning · Computer Science 2023-10-10 Zhongxiang Dai , Gregory Kang Ruey Lau , Arun Verma , Yao Shu , Bryan Kian Hsiang Low , Patrick Jaillet

Bayesian Optimization (BO) is widely used for optimising black-box functions but requires us to specify the length scale hyperparameter, which defines the smoothness of the functions the optimizer will consider. Most current BO algorithms…

Machine Learning · Statistics 2024-11-26 Juliusz Ziomek , Masaki Adachi , Michael A. Osborne

Bayesian optimization methods have been successfully applied to black box optimization problems that are expensive to evaluate. In this paper, we adapt the so-called super effcient global optimization algorithm to solve more accurately…

Machine Learning · Statistics 2020-06-30 Rémy Priem , Nathalie Bartoli , Youssef Diouane , Alessandro Sgueglia

In this work, we investigate black-box optimization from the perspective of frequentist kernel methods. We propose a novel batch optimization algorithm, which jointly maximizes the acquisition function and select points from a whole batch…

Machine Learning · Computer Science 2020-03-30 Yueming Lyu , Yuan Yuan , Ivor W. Tsang

In discrete-variable black-box optimization, the number of candidate solutions grows combinatorially, while each evaluation is often expensive. Therefore, it is important to identify promising solutions efficiently within a limited number…

Quantum Physics · Physics 2026-05-12 Reo Shikanai , Masayuki Ohzeki

Sequential optimization of black-box functions from noisy evaluations has been widely studied, with Gaussian Process bandit algorithms such as GP-UCB guaranteeing no-regret in stationary settings. However, for time-varying objectives, it is…

Machine Learning · Statistics 2025-12-04 Eliabelle Mauduit , Eloïse Berthier , Andrea Simonetto

Quadratic Unconstrained Binary Optimization (QUBO) is a broad class of optimization problems with many practical applications. To solve its hard instances in an exact way, known classical algorithms require exponential time and several…

Quantum Physics · Physics 2021-01-21 Gian Giacomo Guerreschi

The Quantum Approximate Optimization Algorithm (QAOA) is expected to offer advantages over classical approaches when solving combinatorial optimization problems in the Noisy Intermediate-Scale Quantum (NISQ) era. In its standard…

Quantum Physics · Physics 2026-03-06 Arkadiusz Wołk , Karol Capała , Katarzyna Rycerz

Hierarchical quantum classifiers, such as quantum convolutional neural networks (QCNNs), represent recent progress toward designing effective and feasible architectures for quantum classification. However, their performance on near-term…

Quantum Physics · Physics 2026-02-26 Taehyun Kim , Israel F. Araujo , Daniel K. Park

Black-box problems are common in real life like structural design, drug experiments, and machine learning. When optimizing black-box systems, decision-makers always consider multiple performances and give the final decision by comprehensive…

Machine Learning · Computer Science 2021-01-22 Wenjie Chen , Shengcai Liu , Ke Tang

Optimizing objectives under constraints, where both the objectives and constraints are black box functions, is a common scenario in real-world applications such as scientific experimental design, design of medical therapies, and industrial…

Machine Learning · Computer Science 2023-10-16 Fengxue Zhang , Zejie Zhu , Yuxin Chen

Quadratic Unconstrained Binary Optimization (QUBO or UBQP) is concerned with maximizing/minimizing the quadratic form $H(J, \eta) = W \sum_{i,j} J_{i,j} \eta_{i} \eta_{j}$ with $J$ a matrix of coefficients, $\eta \in \{0, 1\}^N$ and $W$ a…

Probability · Mathematics 2024-07-02 Marco Isopi , Benedetto Scoppola , Alessio Troiani

We aim to optimize a black-box function $f:\mathcal{X} \mapsto \mathbb{R}$ under the assumption that $f$ is H\"older smooth and has bounded norm in the RKHS associated with a given kernel $K$. This problem is known to have an agnostic…

Machine Learning · Computer Science 2020-05-12 Shubhanshu Shekhar , Tara Javidi

Many real-world optimisation problems such as hyperparameter tuning in machine learning or simulation-based optimisation can be formulated as expensive-to-evaluate black-box functions. A popular approach to tackle such problems is Bayesian…

Machine Learning · Computer Science 2021-05-28 Juan Ungredda , Juergen Branke

The quantum approximate optimization algorithm (QAOA) is designed to determine optimum and near optimum solutions of quadratic (and higher order) unconstrained binary optimization (QUBO or HUBO) problems, which in turn accurately model…

Quantum Physics · Physics 2025-03-18 Prashanti Priya Angara , Danylo Lykov , Ulrike Stege , Yuri Alexeev , Hausi Müller

Bayesian Optimization (BO) is a widely-used method for optimizing expensive-to-evaluate black-box functions. Traditional BO assumes that the learner has full control over all query variables without additional constraints. However, in many…

Machine Learning · Computer Science 2024-12-23 Vu Viet Hoang , Quoc Anh Hoang Nguyen , Hung Tran The

In this paper, we consider the problem of black-box optimization with noisy feedback revealed in batches, where the unknown function to optimize has a bounded norm in some Reproducing Kernel Hilbert Space (RKHS). We refer to this as the…

Machine Learning · Statistics 2026-03-16 Chenkai Ma , Keqin Chen , Jonathan Scarlett
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