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We present a variational algorithm for fault tolerant quantum computing to solve a system of linear equations which directly maximises the parameters of the target fidelity. This so-called measurement test algorithm can be applied to any…

Quantum Physics · Physics 2026-04-30 Alain Giresse Tene , Thomas Konrad

Many problems in physics, chemistry and other fields are perturbative in nature, i.e. differ only slightly from related problems with known solutions. Prominent among these is the eigenvalue perturbation problem, wherein one seeks the…

Mathematical Physics · Physics 2020-03-12 Maseim Kenmoe , Matteo Smerlak , Anton Zadorin

The self-consistent procedure in electronic structure calculations is revisited using a highly efficient and robust algorithm for solving the non-linear eigenvector problem i.e. H({{\psi}}){\psi} = E{\psi}. This new scheme is derived from a…

Computational Physics · Physics 2015-06-12 Brendan Gavin , Eric Polizzi

High-dimensional (HD) entanglement promises both enhanced key rates and overcoming obstacles faced by modern-day quantum communication. However, modern convex optimization-based security arguments are limited by computational constraints;…

Quantum Physics · Physics 2025-07-04 Florian Kanitschar , Marcus Huber

Subspace diagonalisation methods have appeared recently as promising means to access the ground state and some excited states of molecular Hamiltonians by classically diagonalising small matrices, whose elements can be efficiently obtained…

Quantum Physics · Physics 2024-03-13 Maria-Andreea Filip , David Muñoz Ramo , Nathan Fitzpatrick

Traditional numerical methods for calculating matrix eigenvalues are prohibitively expensive for high-dimensional problems. Iterative random sparsification methods allow for the estimation of a single dominant eigenvalue at reduced cost by…

Numerical Analysis · Mathematics 2023-10-03 Samuel M. Greene , Robert J. Webber , Timothy C. Berkelbach , Jonathan Weare

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

A powerful method for calculating the eigenvalues of a Hamiltonian operator consists of converting the energy eigenvalue equation into a matrix equation by means of an appropriate basis set of functions. The convergence of the method can be…

Quantum Physics · Physics 2007-05-23 Paolo Amore , Alfredo Aranda , Francisco Fernandez , Hugh Jones

This paper presents an efficient parallel direct algorithm with near-optimal complexity for the compact fourth and sixth-order approximation of the three-dimensional Helmholtz equations [1] with the problem coefficient depending on only one…

Numerical Analysis · Mathematics 2020-03-13 Ronald Gonzales , Yury Gryazin , Yun Teck Lee

A thick-restart Lanczos type algorithm is proposed for Hermitian $J$-symmetric matrices. Since Hermitian $J$-symmetric matrices possess doubly degenerate spectra or doubly multiple eigenvalues with a simple relation between the degenerate…

Numerical Analysis · Mathematics 2020-09-14 Ken-Ichi Ishikawa , Tomohiro Sogabe

We exhibit a randomized algorithm which given a matrix $A\in \mathbb{C}^{n\times n}$ with $\|A\|\le 1$ and $\delta>0$, computes with high probability an invertible $V$ and diagonal $D$ such that $\|A-VDV^{-1}\|\le \delta$ using…

Numerical Analysis · Mathematics 2022-07-21 Jess Banks , Jorge Garza-Vargas , Archit Kulkarni , Nikhil Srivastava

In this paper, we consider the optimal design of photonic crystal band structures for two-dimensional square lattices. The mathematical formulation of the band gap optimization problem leads to an infinite-dimensional Hermitian eigenvalue…

Optimization and Control · Mathematics 2010-05-02 Han Men , Ngoc-Cuong Nguyen , Robert M. Freund , Pablo A. Parrilo , Jaume Peraire

Image reconstruction in Magnetic Resonance Imaging (MRI) is fundamentally a linear inverse problem, such that the image can be recovered via explicit pseudoinversion of the encoding matrix by solving $\textbf{data} = \textbf{Encode} \times…

We introduce a new algorithm for finding the eigenvalues and eigenvectors of Hermitian matrices within a specified region, based upon the LANSO algorithm of Parlett and Scott. It uses selective reorthogonalization to avoid the duplication…

High Energy Physics - Lattice · Physics 2015-06-12 Chris Johnson , A. D. Kennedy

Developing efficient quantum computing algorithms is essential for tackling computationally challenging problems across various fields. This paper presents a novel quantum algorithm, XZ24, for efficiently computing the eigen-energy spectra…

Quantum Physics · Physics 2024-09-30 Qing-Xing Xie , Yan Zhao

In this paper, linearly structured partial polynomial inverse eigenvalue problem is considered for the $n\times n$ matrix polynomial of arbitrary degree $k$. Given a set of $m$ eigenpairs ($1 \leqslant m \leqslant kn$), this problem…

Numerical Analysis · Mathematics 2019-04-24 Suman Rakshit , S. R. Khare

Large-scale eigenvalue computations on sparse matrices are a key component of graph analytics techniques based on spectral methods. In such applications, an exhaustive computation of all eigenvalues and eigenvectors is impractical and…

Hardware Architecture · Computer Science 2021-03-19 Francesco Sgherzi , Alberto Parravicini , Marco Siracusa , Marco Domenico Santambrogio

Quadratic programming over orthogonal matrices encompasses a broad class of hard optimization problems that do not have an efficient quantum representation. Such problems are instances of the little noncommutative Grothendieck problem…

Quantum Physics · Physics 2024-08-28 Andrew Zhao , Nicholas C. Rubin

Variational quantum Eigensolver (VQE) is a leading candidate for harnessing quantum computers to advance quantum chemistry and materials simulations, yet its training efficiency deteriorates rapidly for large Hamiltonians. Two issues…

Quantum Physics · Physics 2025-09-19 Yifeng Peng , Xinyi Li , Samuel Yen-Chi Chen , Kaining Zhang , Zhiding Liang , Ying Wang , Yuxuan Du

Making new methods for quantum problems often relies on using basic operations in linear algebra. Often these routines are hidden behind well-known libraries that have been optimized over decades. Attempting to improve on those basic…

Computational Physics · Physics 2026-04-29 Aaron Dayton , Kiana Gallagher , Sarah E. Huber , Thomas E. Baker