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The optimization of circuit parameters of variational quantum algorithms such as the variational quantum eigensolver (VQE) or the quantum approximate optimization algorithm (QAOA) is a key challenge for the practical deployment of near-term…

Quantum Physics · Physics 2019-04-09 Robert M. Parrish , Joseph T. Iosue , Asier Ozaeta , Peter L. McMahon

The VQE algorithm has turned out to be quite expensive to run given the way we currently access quantum processors (i.e. over the cloud). In order to alleviate this issue, we introduce Quantum Sampling Regression (QSR), an alternative…

Quantum Physics · Physics 2020-12-07 Pedro Rivero , Ian C. Cloët , Zack Sullivan

Computational chemistry is one of the most promising applications of quantum computing, mostly thanks to the development of the Variational Quantum Eigensolver (VQE) algorithm. VQE is being studied extensively and numerous optimisations of…

We present a quantum algorithm for finding the minimum of a function based on multistep quantum computation and apply it for optimization problems with continuous variables, in which the variables of the problem are discretized to form the…

Quantum Physics · Physics 2023-07-03 Hefeng Wang , Hua Xiang

Calculating excited states in chemistry is crucial to provide insight into photoinduced molecular behavior beyond the ground state, enabling innovations in spectroscopy, material sciences, and drug design. While several approaches have been…

Quantum Physics · Physics 2025-10-14 Akilan Rajamani , Martin Beseda , Benjamin Lasorne , Bruno Senjean

Variational Quantum Eigensolvers (VQEs) are a powerful class of hybrid quantum-classical algorithms designed to approximate the ground state of a quantum system described by its Hamiltonian. VQEs hold promise for various applications,…

Quantum Physics · Physics 2025-02-04 Kim A. Nicoli , Luca J. Wagner , Lena Funcke

The accurate estimation of quantum observables is a critical task in science. With progress on the hardware, measuring a quantum system will become increasingly demanding, particularly for variational protocols that require extensive…

Estimating properties of quantum states, such as fidelities, molecular energies, and correlation functions, is a fundamental task in quantum information science. Due to the limitation of practical quantum devices, including limited circuit…

Quantum Physics · Physics 2025-10-17 Bujiao Wu , Lingyu Kong , Yuxuan Yan , Fuchuan Wei , Zhenhuan Liu

We propose a scheme to restore spatial symmetry of Hamiltonian in the variational-quantum-eigensolver (VQE) algorithm for which the quantum circuit structures used usually break the Hamiltonian symmetry. The symmetry-adapted VQE scheme…

Quantum Physics · Physics 2020-06-01 Kazuhiro Seki , Tomonori Shirakawa , Seiji Yunoki

Using quantum devices supported by classical computational resources is a promising approach to quantum-enabled computation. One example of such a hybrid quantum-classical approach is the variational quantum eigensolver (VQE) built to…

Quantum Physics · Physics 2017-04-12 Jarrod R. McClean , Mollie E. Schwartz , Jonathan Carter , Wibe A. de Jong

The variational quantum eigensolver (VQE) is one of the most prominent algorithms using near-term quantum devices, designed to find the ground state of a Hamiltonian. In VQE, a classical optimizer iteratively updates the parameters in the…

Quantum Physics · Physics 2026-02-12 Chenyu Shi , Vedran Dunjko , Hao Wang

We present quantum algorithms, for Hamiltonians of linear combinations of local unitary operators, for Hamiltonian matrix-vector products and for preconditioning with the inverse of shifted reduced Hamiltonian operator that contributes to…

Quantum Physics · Physics 2020-09-09 Zhiyong Zhang

The development of Fault-Tolerant Quantum Computer (FTQC) gradually raises a possibility to implement the Quantum Phase Estimation (QPE) algorithm. However, QPE works only for normalized systems. This requires the minimum and maximum of…

Quantum Physics · Physics 2021-11-19 Hikaru Wakaura , Andriyan B. Suksmono

The Poisson equation has wide applications in many areas of science and engineering. Although there are some quantum algorithms that can efficiently solve the Poisson equation, they generally require a fault-tolerant quantum computer which…

Quantum Physics · Physics 2021-08-25 Hailing Liu , Yusen Wu , Linchun Wan , Shijie Pan , Sujuan Qin , Fei Gao , Qiaoyan Wen

The variational quantum eigensolver (VQE) algorithm combines the ability of quantum computers to efficiently compute expectation values with a classical optimization routine in order to approximate ground state energies of quantum systems.…

We propose a modification of the Variational Quantum Eigensolver algorithm for electronic structure optimization using quantum computers, named non-unitary Variational Quantum Eigensolver (nu-VQE), in which a non-unitary operator is…

We consider the task of approximating the ground state energy of two-local quantum Hamiltonians on bounded-degree graphs. Most existing algorithms optimize the energy over the set of product states. Here we describe a family of shallow…

Quantum Physics · Physics 2022-01-05 Anurag Anshu , David Gosset , Karen J. Morenz Korol , Mehdi Soleimanifar

Current structure optimization algorithms optimize the structure of quantum circuit from scratch for each new task of variational quantum algorithms (VQAs) without using any prior experience, which is inefficient and time-consuming.…

Quantum Physics · Physics 2022-04-12 Chuangtao Chen , Zhimin He , Shenggen Zheng , Yan Zhou , Haozhen Situ

Quantum amplitude estimation is a key subroutine in a number of powerful quantum algorithms, including quantum-enhanced Monte Carlo simulation and quantum machine learning. Maximum-likelihood quantum amplitude estimation (MLQAE) is one of a…

Quantum Physics · Physics 2023-05-18 Adam Callison , Dan E. Browne

Variational quantum algorithms (VQAs) are hybrid quantum-classical approaches used for tackling a wide range of problems on noisy intermediate-scale quantum (NISQ) devices. Testing these algorithms on relevant hardware is crucial to…