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A promising approach to useful computational quantum advantage is to use variational quantum algorithms for optimisation problems. Crucial for the performance of these algorithms is to ensure that the algorithm converges with high…

Quantum Physics · Physics 2022-06-27 Ioannis Kolotouros , Petros Wallden

Two asymptotically exact a posteriori error estimates are proposed for eigenvalues by the nonconforming Crouzeix--Raviart and enriched Crouzeix-- Raviart elements. The main challenge in the design of such error estimators comes from the…

Numerical Analysis · Mathematics 2019-11-26 Jun Hu , Limin Ma

We describe randomized algorithms for computing the dominant eigenmodes of the Generalized Hermitian Eigenvalue Problem (GHEP) $Ax=\lambda Bx$, with $A$ Hermitian and $B$ Hermitian and positive definite. The algorithms we describe only…

Numerical Analysis · Mathematics 2015-05-13 Arvind K. Saibaba , Jonghyun Lee , Peter K. Kitanidis

Eigenvalue transformations, which include solving time-dependent differential equations as a special case, have a wide range of applications in scientific and engineering computation. While quantum algorithms for singular value…

Quantum Physics · Physics 2024-11-07 Dong An , Andrew M. Childs , Lin Lin , Lexing Ying

Over the past decades, transformations between different classes of eigenvalue problems have played a central role in the development of numerical methods for eigenvalue computations. One of the most well-known and successful examples of…

Numerical Analysis · Mathematics 2025-09-05 Elias Jarlebring , Vilhelm P. Lithell

We propose a novel quantum algorithm for solving nuclear resonances, which is based on the iterative Harrow-Hassidim-Lloyd algorithm and eigenvector continuation with complex scaling. To validate this approach, we compute the resonant…

Quantum Physics · Physics 2025-06-27 Hantao Zhang , Dong Bai , Zhongzhou Ren

In this paper we present an efficient algorithm to compute the eigen decomposition of a matrix that is a weighted sum of the self outer products of vectors such as a covariance matrix of data. A well known algorithm to compute the eigen…

Numerical Analysis · Computer Science 2017-06-08 Youhei Akimoto

We present a hybrid classical-quantum algorithm to solve optimization problems in current quantum computers, whose basic idea is to assist variational quantum eigensolvers (VQE) with adiabatic change of the Hamiltonian. The rational for…

Quantum Physics · Physics 2018-06-07 A. Garcia-Saez , J. I. Latorre

The capacity for solving eigenstates with a quantum computer is key for ultimately simulating physical systems. Here we propose inverse iteration quantum eigensolvers, which exploit the power of quantum computing for the classical inverse…

Quantum Physics · Physics 2022-03-09 Min-Quan He , Dan-Bo Zhang , Z. D. Wang

MaxCut is a canonical NP-hard combinatorial optimization problem in graph theory with broad applications ranging from physics to bioinformatics. Although variational quantum algorithms offer promising new approaches that may eventually…

The efficient calculation of the centrality or "hierarchy" of nodes in a network has gained great relevance in recent years due to the generation of large amounts of data. The eigenvector centrality (aka eigencentrality) is quickly becoming…

Solving large-scale eigenvalue problems poses a significant challenge due to the computational complexity and limitations on the parallel scalability of the orthogonalization operation, when many eigenpairs are required. In this paper, we…

Numerical Analysis · Mathematics 2025-11-11 Tianyang Chu , Xiaoying Dai , Shengyue Wang , Aihui Zhou

From their inception, quaternions and their division algebra have proven to be advantageous in modelling rotation/orientation in three-dimensional spaces and have seen use from the initial formulation of electromagnetic filed theory through…

Many eigenvalue problems arising in practice are often of the generalized form $A\x=\lambda B\x$. One particularly important case is symmetric, namely $A, B$ are Hermitian and $B$ is positive definite. The standard algorithm for solving…

Quantum Physics · Physics 2021-10-20 Changpeng Shao , Jin-Peng Liu

Quaternions are important for a wide variety of rotation-related problems in computer graphics, machine vision, and robotics. We study the nontrivial geometry of the relationship between quaternions and rotation matrices by exploiting the…

Image and Video Processing · Electrical Eng. & Systems 2022-05-20 Andrew J. Hanson , Sonya M. Hanson

Optimizing neural networks with loss that contain high-dimensional and high-order differential operators is expensive to evaluate with back-propagation due to $\mathcal{O}(d^{k})$ scaling of the derivative tensor size and the…

Machine Learning · Computer Science 2025-01-14 Zekun Shi , Zheyuan Hu , Min Lin , Kenji Kawaguchi

This paper is concerned with computations of a few smaller eigenvalues (in absolute value) of a large extremely ill-conditioned matrix. It is shown that smaller eigenvalues can be accurately computed for a diagonally dominant matrix or a…

Numerical Analysis · Mathematics 2017-05-16 Qiang Ye

In electronic structure calculations, the transcorrelated method consists in transforming the Hamiltonian so as to remove the Coulomb cusp in its eigenfunctions. As a result, the wavefunction can be described more accurately without…

Quantum Physics · Physics 2026-04-14 Alexey Uvarov , Artur F. Izmaylov

An algorithm named EigenWave is described to compute eigenvalues and eigenvectors of elliptic boundary value problems. The algorithm, based on the recently developed WaveHoltz scheme, solves a related time-dependent wave equation as part of…

Numerical Analysis · Mathematics 2025-07-25 Daniel Appelo , Jeffrey W. Banks , William D. Henshaw , Ngan Le , Donald W. Schwendeman

Applications related to artificial intelligence, machine learning, and system identification simulations essentially use eigenvectors. Calculating eigenvectors for very large matrices using conventional methods is compute-intensive and…

Performance · Computer Science 2020-06-17 Shrey Dabhi , Manojkumar Parmar