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Conformation generation, also known as molecular unfolding (MU), is a crucial step in structure-based drug design, remaining a challenging combinatorial optimization problem. Quantum annealing (QA) has shown great potential for solving…

Simulation-based optimization is a useful method for practical design problems. However, it is difficult for complicated problems due to expensive-computational costs. A popular way to overcome this issue is to use a surrogate model to save…

Signal Processing · Electrical Eng. & Systems 2019-12-11 Yu Li , Hu Wang , Ziming Wen , Xin Wang

With small-scale quantum processors transitioning from experimental physics labs to industrial products, these processors allow us to efficiently compute important algorithms in various fields. In this paper, we propose a quantum algorithm…

Quantum Physics · Physics 2020-05-22 Aritra Sarkar , Zaid Al-Ars , Carmen G. Almudever , Koen Bertels

Quantum architecture search (QAS) is desired to construct a powerful and general QAS platform which can significantly accelerate quantum advantages in error-prone and depth limited quantum circuits in today Noisy Intermediate-Scale Quantum…

Quantum Physics · Physics 2022-12-02 Anqi Zhang , Shengmei Zhao

Predicting the cheapest sample size for the optimal stratification in multivariate survey design is a problem in cases where the population frame is large. A solution exists that iteratively searches for the minimum sample size necessary to…

Methodology · Statistics 2018-06-18 Mervyn O'Luing , Steven Prestwich , S. Armagan Tarim

Quantum machine learning (QML) presents potential for early industrial adoption, yet limited access to quantum hardware remains a significant bottleneck for deployment of QML solutions. This work explores the use of classical surrogates to…

Explicitly accounting for uncertainties is paramount to the safety of engineering structures. Optimization which is often carried out at the early stage of the structural design offers an ideal framework for this task. When the…

Methodology · Statistics 2022-12-14 M. Moustapha , A. Galimshina , G. Habert , B. Sudret

This paper presents a genetic algorithm (GA) approach to cost-optimal task scheduling in a production line. The system consists of a set of serial processing tasks, each with a given duration, unit execution cost, and precedence…

Neural and Evolutionary Computing · Computer Science 2026-01-05 Alireza Rezaee

Quantum kernel methods offer significant theoretical benefits by rendering classically inseparable features separable in quantum space. Yet, the practical application of Quantum Machine Learning (QML), currently constrained by the…

Machine Learning · Computer Science 2026-02-03 Philipp Altmann , Maximilian Mansky , Maximilian Zorn , Jonas Stein , Claudia Linnhoff-Popien

Functions of chemical composition are complex and discrete in nature making it impossible to optimize them with gradient methods. Genetic algorithms, which do not use derivative information, are used to maximize the thermal conductivity of…

Materials Science · Physics 2018-01-30 Alexander Kerr , Kieran Mullen

Quantum annealing allows for quantum fluctuations to be used used to assist in finding the solution to some of the worlds most challenging computational problems. Recently, this field has attracted much interest because of the construction…

Quantum Physics · Physics 2022-07-26 Nicholas Chancellor

Metasurfaces offer a flexible framework for the manipulation of light properties in the realm of thin film optics. Specifically, the polarization of light can be effectively controlled through the use of thin phase plates. This study aims…

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

An Amplitude-Encoded Quantum Genetic Algorithm (AEQGA) has been developed to minimize $\chi^2$ functions of different cosmological probes (Supernovae Type Ia, Baryon Acoustic Oscillations, Cosmic Microwave Background Radiation), to find the…

Variational-Quantum-Eigensolver(VQE) method on a quantum computer is a well-known hybrid algorithm to solve the eigenstates and eigenvalues that uses both quantum and classical computers. This method has the potential to solve quantum…

Quantum Physics · Physics 2021-10-15 Hikaru Wakaura , Takao Tomono , Shoya Yasuda

This paper presents a particle swarm optimization algorithm that leverages surrogate modeling to replace the conventional global best solution with the minimum of an n-dimensional quadratic form, providing a better-conditioned dynamic…

Neural and Evolutionary Computing · Computer Science 2026-03-19 Maurizio Clemente , Marcello Canova

Photonic surfaces designed with specific optical characteristics are becoming increasingly important for use in in various energy harvesting and storage systems. , In this study, we develop a surrogate-based optimization approach for…

Optimization and Control · Mathematics 2024-07-08 Luka Grbcic , Minok Park , Juliane Müller , Vassilia Zorba , Wibe Albert de Jong

Current quantum computing devices have different strengths and weaknesses depending on their architectures. This means that flexible approaches to circuit design are necessary. We address this task by introducing a novel space-efficient…

In this paper we present Quanrum Encoded Quantum Evolutionary Algorithm (QEQEA) and compare its performance against a a classical GPU accelerated Genetic Algorithm (GPUGA). The proposed QEQEA differs from existing quantum evolutionary…

Quantum Physics · Physics 2018-10-01 Georgiy Krylov , Martin Lukac

We present a novel formulation of structural design optimization problems specifically tailored to be solved by quantum annealing (QA). Structural design optimization aims to find the best, i.e., material-efficient yet high-performance,…

Computational Engineering, Finance, and Science · Computer Science 2024-04-17 Fabian Key , Lukas Freinberger