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Materials discovery is a computationally intensive process that requires exploring vast chemical spaces to identify promising candidates with desirable properties. In this work, we propose using quantum-enhanced machine learning algorithms…

Several types of numerical and combinatorial optimization algorithms have been used as useful tools to minimize functional forms. Generally, when those forms are non-linear or occur in problems without a specific optimization method,…

Chemical Physics · Physics 2007-05-23 Luiz Fernando Roncaratti , Ricardo Gargano , Geraldo Magela e Silva

Variational quantum eigensolvers are touted as a near-term algorithm capable of impacting many applications. However, the potential has not yet been realized, with few claims of quantum advantage and high resource estimates, especially due…

Gradient descent method, as one of the major methods in numerical optimization, is the key ingredient in many machine learning algorithms. As one of the most fundamental way to solve the optimization problems, it promises the function value…

Quantum Physics · Physics 2021-02-01 Keren Li , Shijie Wei , Feihao Zhang , Pan Gao , Zengrong Zhou , Tao Xin , Xiaoting Wang , Guilu Long

Applications such as simulating complicated quantum systems or solving large-scale linear algebra problems are very challenging for classical computers due to the extremely high computational cost. Quantum computers promise a solution,…

Quantum algorithms are getting extremely popular due to their potential to significantly outperform classical algorithms. Yet, applying quantum algorithms to optimization problems meets challenges related to the efficiency of quantum…

There exist quantum algorithms that are more efficient than their classical counterparts; such algorithms were invented by Shor in 1994 and then Grover in 1996. A lack of invention since Grover's algorithm has been commonly attributed to…

Quantum Physics · Physics 2007-08-27 Adrian Gepp , Phil Stocks

Grover search is a renowned quantum search algorithm that leverages quantum superposition to find a marked item with quadratic speedup. However, when implemented on Noisy Intermediate-scale Quantum (NISQ) hardware, the required repeated…

Quantum Physics · Physics 2023-04-11 Chen-Yu Liu

One of the challenging scientific computing problems is topology optimization, where searching through the combinatorially complex configurations and solving the constraints of partial differential equations need to be done simultaneously.…

Quantum Physics · Physics 2025-03-05 Jungin E. Kim , Yan Wang

Genetic Algorithms have established their capability for solving many complex optimization problems. Even as good solutions are produced, the user's understanding of a problem is not necessarily improved, which can lead to a lack of…

Neural and Evolutionary Computing · Computer Science 2024-07-10 GianCarlo Catalano , Alexander E. I. Brownlee , David Cairns , John McCall , Russell Ainslie

The optimization of dynamic problems is both widespread and difficult. When conducting dynamic optimization, a balance between reinitialization and computational expense has to be found. There are multiple approaches to this. In parallel…

Neural and Evolutionary Computing · Computer Science 2014-01-21 Ronald Hochreiter , Christoph Waldhauser

We introduce an iterative method to search for time-optimal Hamiltonians that drive a quantum system between two arbitrary, and in general mixed, quantum states. The method is based on the idea of progressively improving the efficiency of…

Quantum Physics · Physics 2019-12-25 Francesco Campaioli , William Sloan , Kavan Modi , Felix Alexander Pollock

An essential component of many sophisticated metaheuristics for solving combinatorial optimization problems is some variation of a local search routine that iteratively searches for a better solution within a chosen set of immediate…

Quantum Physics · Physics 2025-02-05 M. Podobrii , V. Kuzmin , V. Voloshinov , M. Veshchezerova , M. R. Perelshtein

We give an algorithm for prediction on a quantum computer which is based on a linear regression model with least squares optimisation. Opposed to related previous contributions suffering from the problem of reading out the optimal…

Quantum Physics · Physics 2016-09-07 Maria Schuld , Ilya Sinayskiy , Francesco Petruccione

The design of quantum circuits is often still done manually, for instance by following certain patterns or rule of thumb. While this approach may work well for some problems, it can be a tedious task and present quite the challenge in other…

Quantum Physics · Physics 2023-05-11 Leo Sünkel , Darya Martyniuk , Denny Mattern , Johannes Jung , Adrian Paschke

The use of high-fidelity computational simulations promises to enable high-throughput hypothesis testing and optimisation of cancer therapies. However, increasing realism comes at the cost of increasing computational requirements. This…

Neural and Evolutionary Computing · Computer Science 2022-12-05 Richard J. Preen , Larry Bull , Andrew Adamatzky

We show how a quantum computer may efficiently simulate a disordered Hamiltonian, by incorporating a pseudo-random number generator directly into the time evolution circuit. This technique is applied to quantum simulation of few-body…

Disordered Systems and Neural Networks · Physics 2020-03-25 Andrei Alexandru , Paulo F. Bedaque , Scott Lawrence

A quantum computer consists of a set of quantum bits upon which operations called gates are applied to perform computations. In order to perform quantum algorithms, physicists would like to design arbitrary gates to apply to quantum bits.…

Quantum Physics · Physics 2012-06-18 Jeffrey Booth

Grover's quantum search algorithm provides a quadratic speedup over the classical one. The computational complexity is based on the number of queries to the oracle. However, depth is a more modern metric for noisy intermediate-scale quantum…

Quantum Physics · Physics 2020-03-31 Kun Zhang , Vladimir E. Korepin

We investigate the generalisation of quantum search of unstructured and totally ordered sets to search of partially ordered sets (posets). Two models for poset search are considered. In both models, we show that quantum algorithms can…

Quantum Physics · Physics 2009-06-18 Ashley Montanaro