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Bayesian optimization (BO) has established itself as a leading strategy for efficiently optimizing expensive-to-evaluate functions. Existing BO methods mostly rely on Gaussian process (GP) surrogate models and are not applicable to…

Machine Learning · Computer Science 2024-01-29 Yongsheng Mei , Mahdi Imani , Tian Lan

Many artificial intelligence (AI) problems naturally map to NP-hard optimization problems. This has the interesting consequence that enabling human-level capability in machines often requires systems that can handle formally intractable…

Quantum Physics · Physics 2009-09-29 Hartmut Neven , Geordie Rose , William G. Macready

Quantum Approximate Optimization Algorithm (QAOA) is one of the most short-term promising quantum-classical algorithm to solve unconstrained combinatorial optimization problems. It alternates between the execution of a parametrized quantum…

Optimization and Control · Mathematics 2024-11-18 Camille Grange , Marion Lavignac , Valentina Pozzoli , Eric Bourreau

By enabling constraint-aware online model adaptation, model predictive control using Gaussian process (GP) regression has exhibited impressive performance in real-world applications and received considerable attention in the learning-based…

Optimization and Control · Mathematics 2024-09-17 Amon Lahr , Andrea Zanelli , Andrea Carron , Melanie N. Zeilinger

We introduce a novel quadratic unconstrained binary optimization (QUBO) formulation for a classical problem in electrical engineering -- the optimal reconfiguration of distribution grids. For a given graph representing the grid…

Quantum Physics · Physics 2023-01-31 Filipe F. C. Silva , Pedro M. S. Carvalho , Luis A. F. M. Ferreira , Yasser Omar

Gaussian process modeling is a standard tool for building emulators for computer experiments, which are usually used to study deterministic functions, for example, a solution to a given system of partial differential equations. This work…

Statistics Theory · Mathematics 2021-10-01 Wenjia Wang

Engineering design processes involve iterative design evaluations requiring numerous computationally intensive numerical simulations. Quantum algorithms promise substantial speedups for specific tasks relevant to engineering simulations.…

Quantum Physics · Physics 2026-03-26 Leonhard Hölscher , Lukas Müller , Or Samimi , Tamuz Danzig

In this paper we focus on the unconstrained binary quadratic optimization model, maximize x^t Qx, x binary, and consider the problem of identifying optimal solutions that are robust with respect to perturbations in the Q matrix.. We are…

Artificial Intelligence · Computer Science 2017-09-25 Mark Lewis , Gary Kochenberger , John Metcalfe

Quadratic Unconstrained Binary Optimization (QUBO) is a combinatorial optimization to find an optimal binary solution vector that minimizes the energy value defined by a quadratic formula of binary variables in the vector. As many NP-hard…

Performance · Computer Science 2023-10-19 Koji Nakano , Daisuke Takafuji , Yasuaki Ito , Takashi Yazane , Junko Yano , Shiro Ozaki , Ryota Katsuki , Rie Mori

Multi-Agent Path Finding (MAPF) remains a fundamental challenge in robotics, where classical centralized approaches exhibit exponential growth in joint-state complexity as the number of agents increases. This paper investigates Quadratic…

Robotics · Computer Science 2026-02-17 Javier González Villasmil

In this paper, we present a new method to solve a certain type of Semidefinite Programming (SDP) problems. These types of SDPs naturally arise in the Quadratic Convex Reformulation (QCR) method and can be used to obtain dual bounds of…

Optimization and Control · Mathematics 2023-12-27 Apostolos Chalkis , Thomas Kleinert , Boro Sofranac

Gaussian process (GP) based Bayesian optimization (BO) is a powerful method for optimizing black-box functions efficiently. The practical performance and theoretical guarantees of this approach depend on having the correct GP hyperparameter…

Machine Learning · Statistics 2024-06-07 Huong Ha , Vu Nguyen , Hung Tran-The , Hongyu Zhang , Xiuzhen Zhang , Anton van den Hengel

Gaussian processes (GP) are a widely used model for regression problems in supervised machine learning. Implementation of GP regression typically requires $O(n^3)$ logic gates. We show that the quantum linear systems algorithm [Harrow et…

Quantum Physics · Physics 2019-05-29 Zhikuan Zhao , Jack K. Fitzsimons , Joseph F. Fitzsimons

In materials informatics, searching for chemical materials with desired properties is challenging due to the vastness of the chemical space. Moreover, the high cost of evaluating properties necessitates a search with a few clues. In…

Quantum Physics · Physics 2023-12-18 Mikiya Doi , Yoshihiro Nakao , Takuro Tanaka , Masami Sako , Masayuki Ohzeki

The growing field of large-scale time domain astronomy requires methods for probabilistic data analysis that are computationally tractable, even with large datasets. Gaussian Processes are a popular class of models used for this purpose…

Instrumentation and Methods for Astrophysics · Physics 2017-11-15 Daniel Foreman-Mackey , Eric Agol , Sivaram Ambikasaran , Ruth Angus

This paper investigates the approximation of Gaussian random variables in Banach spaces, focusing on the high-probability bounds for the approximation of Gaussian random variables using finitely many observations. We derive non-asymptotic…

Statistics Theory · Mathematics 2025-08-28 Daniel Winkle , Ingo Steinwart , Bernard Haasdonk

The accuracy of Bayesian inference can be negatively affected by the use of inaccurate forward models. In the case of gravitational-wave inference, accurate but computationally expensive waveform models are sometimes substituted with faster…

Instrumentation and Methods for Astrophysics · Physics 2024-04-02 Miaoxin Liu , Xiao-Dong Li , Alvin J. K. Chua

This paper proposes novel noise-free Bayesian optimization strategies that rely on a random exploration step to enhance the accuracy of Gaussian process surrogate models. The new algorithms retain the ease of implementation of the classical…

Machine Learning · Computer Science 2024-07-18 Hwanwoo Kim , Daniel Sanz-Alonso

To solve 3SAT instances on quantum annealers they need to be transformed to an instance of Quadratic Unconstrained Binary Optimization (QUBO). When there are multiple transformations available, the question arises whether different…

Spectral approximation and variational inducing learning for the Gaussian process are two popular methods to reduce computational complexity. However, in previous research, those methods always tend to adopt the orthonormal basis functions,…

Machine Learning · Statistics 2021-07-15 Wenqi Fang , Guanlin Wu , Jingjing Li , Zheng Wang , Jiang Cao , Yang Ping