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The variational approach is a cornerstone of computational physics, considering both conventional and quantum computing computational platforms. The variational quantum eigensolver (VQE) algorithm aims to prepare the ground state of a…

Quantum Physics · Physics 2022-12-16 Nikita Astrakhantsev , Guglielmo Mazzola , Ivano Tavernelli , Giuseppe Carleo

The Variational Quantum Eigensolver (VQE) algorithm has been developed to target near term Noisy Intermediate Scale Quantum (NISQ) computers as a method to find the eigenvalues of Hamiltonians. Unlike fully quantum algorithms such as…

Quantum Physics · Physics 2026-02-13 Taylor Harville , Rishu Khurana , Vitor F. Grizzi , Cong Liu

Variational algorithms for strongly correlated chemical and materials systems are one of the most promising applications of near-term quantum computers. We present an extension to the variational quantum eigensolver that approximates the…

Quantum Physics · Physics 2020-08-26 William J. Huggins , Joonho Lee , Unpil Baek , Bryan O'Gorman , K. Birgitta Whaley

We investigate quantum graphs with infinitely many vertices and edges without the common restriction on the geometry of the underlying metric graph that there is a positive lower bound on the lengths of its edges. Our central result is a…

Mathematical Physics · Physics 2018-10-30 Pavel Exner , Aleksey Kostenko , Mark Malamud , Hagen Neidhardt

A finite discrete graph is turned into a quantum (metric) graph once a finite length is assigned to each edge and the one-dimensional Laplacian is taken to be the operator. We study the dependence of the spectral gap (the first positive…

Mathematical Physics · Physics 2018-03-28 Ram Band , Guillaume Lévy

The variational quantum eigensolver (VQE), a variational algorithm to obtain an approximated ground state of a given Hamiltonian, is an appealing application of near-term quantum computers. The original work [A. Peruzzo et al.; \textit{Nat.…

Quantum Physics · Physics 2019-11-06 Ken M Nakanishi , Kosuke Mitarai , Keisuke Fujii

Hybrid algorithms that combine quantum and classical resources have become commonplace in quantum computing. The variational quantum eigensolver (VQE) is routinely used to solve prototype problems. Currently, hybrid algorithms use no more…

Quantum Physics · Physics 2024-08-27 Manpreet Singh Jattana

The Variational Quantum Eigensolver (VQE) is a promising quantum algorithm for applications in chemistry within the Noisy Intermediate-Scale Quantum (NISQ) era. The ability for a quantum computer to simulate electronic structures with high…

By design, the variational quantum eigensolver (VQE) strives to recover the lowest-energy eigenvalue of a given Hamiltonian by preparing quantum states guided by the variational principle. In practice, the prepared quantum state is…

Quantum Physics · Physics 2021-06-29 Daniel Claudino , Jerimiah Wright , Alexander J. McCaskey , Travis S. Humble

Variational quantum algorithms (VQAs) are a modern family of quantum algorithms designed to solve optimization problems using a quantum computer. Typically VQAs rely on a feedback loop between the quantum device and a classical optimization…

Quantum Physics · Physics 2022-08-26 Alexey Uvarov

Variational Quantum Eigensolvers (VQEs) are a leading class of noisy intermediate-scale quantum (NISQ) algorithms with broad applications in quantum physics and quantum chemistry. However, as system size increases, VQE optimization is…

Quantum Physics · Physics 2025-07-16 Chi Zhang , Lei Jiang , Fan Chen

The spectrum of a network or graph $G=(V,E)$ with adjacency matrix $A$, consists of the eigenvalues of the normalized Laplacian $L= I - D^{-1/2} A D^{-1/2}$. This set of eigenvalues encapsulates many aspects of the structure of the graph,…

Data Structures and Algorithms · Computer Science 2017-12-06 David Cohen-Steiner , Weihao Kong , Christian Sohler , Gregory Valiant

Graph self-supervised learning has gained significant attention recently. However, many existing approaches heavily depend on perturbations, and inappropriate perturbations may corrupt the graph's inherent information. The Vector Quantized…

Machine Learning · Computer Science 2025-04-18 Long Zeng , Jianxiang Yu , Jiapeng Zhu , Qingsong Zhong , Xiang Li

Variational Quantum Eigensolver (VQE) is a promising algorithm for near-term quantum machines. It can be used to estimate the ground state energy of a molecule by performing separate measurements of $O(N^4)$ terms. Several recent papers…

Quantum Physics · Physics 2019-09-02 Pranav Gokhale , Frederic T. Chong

In the broad range of studies related to quantum graphs, quantum graph spectra appear as a topic of special interest. They are important in the context of diffusion type problems posed on metric graphs. Theoretical findings suggest that…

Numerical Analysis · Mathematics 2023-12-15 Chong-Son Dröge , Anna Weller

We study operators on rooted graphs with a certain spherical homogeneity. These graphs are called path commuting and allow for a decomposition of the adjacency matrix and the Laplacian into a direct sum of Jacobi matrices which reflect the…

Spectral Theory · Mathematics 2012-01-04 Jonathan Breuer , Matthias Keller

The second eigenvalue of the Laplacian matrix and its associated eigenvector are fundamental features of an undirected graph, and as such they have found widespread use in scientific computing, machine learning, and data analysis. In many…

Data Structures and Algorithms · Computer Science 2011-10-24 Michael W. Mahoney , Lorenzo Orecchia , Nisheeth K. Vishnoi

The variational quantum eigensolver (VQE) is one of the most appealing quantum algorithms to simulate electronic structure properties of molecules on near-term noisy intermediate-scale quantum devices. In this work, we generalize the VQE…

Quantum Physics · Physics 2022-06-09 Jie Liu , Lingyun Wan , Zhenyu Li , Jinlong Yang

Variational quantum eigensolvers (VQEs) are successful algorithms for studying physical systems on quantum computers. Recently, they were extended to the measurement-based model of quantum computing, bringing resource graph states and their…

Quantum Physics · Physics 2024-06-27 Albie Chan , Zheng Shi , Luca Dellantonio , Wolfgang Dür , Christine A. Muschik

We propose a divide-and-conquer method for the quantum-classical hybrid algorithm to solve larger problems with small-scale quantum computers. Specifically, we concatenate a variational quantum eigensolver (VQE) with a reduction in the…

Quantum Physics · Physics 2022-01-26 Keisuke Fujii , Kaoru Mizuta , Hiroshi Ueda , Kosuke Mitarai , Wataru Mizukami , Yuya O. Nakagawa