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We investigate the dividing line between classical and quantum computational power in estimating properties of matrix functions. More precisely, we study the computational complexity of two primitive problems: given a function $f$ and a…

Quantum Physics · Physics 2025-04-24 Santiago Cifuentes , Samson Wang , Thais L. Silva , Mario Berta , Leandro Aolita

Let $A$ be an $s$-sparse Hermitian matrix, $f(x)$ be a univariate function, and $i, j$ be two indices. In this work, we investigate the query complexity of approximating $\bra{i} f(A) \ket{j}$. We show that for any continuous function…

Quantum Physics · Physics 2025-01-20 Ashley Montanaro , Changpeng Shao

We propose and investigate two new methods to approximate $f({\bf A}){\bf b}$ for large, sparse, Hermitian matrices ${\bf A}$. The main idea behind both methods is to first estimate the spectral density of ${\bf A}$, and then find…

Numerical Analysis · Computer Science 2018-08-30 Li Fan , David I Shuman , Shashanka Ubaru , Yousef Saad

The aim of this work is to develop a fast algorithm for approximating the matrix function $f(A)$ of a square matrix $A$ that is symmetric and has hierarchically semiseparable (HSS) structure. Appearing in a wide variety of applications,…

Numerical Analysis · Mathematics 2024-02-28 Angelo A. Casulli , Daniel Kressner , Leonardo Robol

We give a new fast method for evaluating sprectral approximations of nonlinear polynomial functionals. We prove that the new algorithm is convergent if the functions considered are smooth enough, under a general assumption on the spectral…

Numerical Analysis · Mathematics 2012-07-17 Erwan Faou , Fabio Nobile , Christophe Vuillot

We recently introduced a method to approximate functions of Hermitian Matrix Product Operators or Tensor Trains that are of the form $\mathsf{Tr} f(A)$. Functions of this type occur in several applications, most notably in quantum physics.…

Numerical Analysis · Computer Science 2018-03-28 Moritz August , Thomas Huckle

Matrix powering is a fundamental computational primitive in linear algebra. It has widespread applications in scientific computing and engineering, and underlies the solution of time-homogeneous linear ordinary differential equations,…

Quantum Physics · Physics 2021-06-30 Guillermo González , Rahul Trivedi , J. Ignacio Cirac

Implementing general functions of operators is a powerful tool in quantum computation. It can be used as the basis for a variety of quantum algorithms including matrix inversion, real and imaginary-time evolution, and matrix powers. Quantum…

Quantum Physics · Physics 2022-06-08 Thais de Lima Silva , Lucas Borges , Leandro Aolita

We consider the task of approximating a matrix function $f(A)$, where $A$ is a matrix in which only a relatively small number of (not necessarily consecutive) sub- and superdiagonals contain nonzero entries. Approximating $f$ by a…

Numerical Analysis · Mathematics 2025-12-09 Majed Hamadi , Nezam Mahdavi-Amiri , Marcel Schweitzer

Interior eigenvalue problems for large-scale sparse Hermitian matrices are fundamental in computational science. We propose an adaptive polynomial filtering strategy based on Chebyshev expansion of a step function, integrated into a…

Numerical Analysis · Mathematics 2026-04-02 Xiaofei Xu , Yuhui Ni , Shengguo Li , Juan Zhang

The matrix logarithm, when applied to Hermitian positive definite matrices, is concave with respect to the positive semidefinite order. This operator concavity property leads to numerous concavity and convexity results for other matrix…

Optimization and Control · Mathematics 2019-12-06 Hamza Fawzi , James Saunderson , Pablo A. Parrilo

The computation of a matrix function $f(A)$ is an important task in scientific computing appearing in machine learning, network analysis and the solution of partial differential equations. In this work, we use only matrix-vector products…

Numerical Analysis · Mathematics 2026-03-03 Taejun Park , Yuji Nakatsukasa

Functions on a bounded domain in scientific computing are often approximated using piecewise polynomial approximations on meshes that adapt to the shape of the geometry. We study the problem of function approximation using splines on a…

Numerical Analysis · Mathematics 2020-08-27 Vincent Coppé , Daan Huybrechs

Computation of the trace of a matrix function plays an important role in many scientific computing applications, including applications in machine learning, computational physics (e.g., lattice quantum chromodynamics), network analysis and…

Data Structures and Algorithms · Computer Science 2017-03-10 Insu Han , Dmitry Malioutov , Haim Avron , Jinwoo Shin

We consider the numerical evaluation of the quantity $Af(A^{-1}B)$, where $A$ is Hermitian positive definite, $B$ is Hermitian, and $f$ is a function defined on the spectrum of $A^{-1}B$. This problem is related to the Hermitian-definite…

Numerical Analysis · Mathematics 2026-05-25 Dario A. Bini , Massimiliano Fasi , Bruno Iannazzo

A new algorithm to approximate Hermitian matrices by positive semidefinite Hermitian matrices based on modified Cholesky decompositions is presented. In contrast to existing algorithms, this algorithm allows to specify bounds on the…

Numerical Analysis · Mathematics 2019-12-12 Joscha Reimer

Spectral polynomial approximation of smooth functions allows real-time manipulation of and computation with them, as in the Chebfun system. Extension of the technique to two-dimensional and three-dimensional functions on hyperrectangles has…

Numerical Analysis · Mathematics 2019-01-21 Kevin W. Aiton , Tobin A. Driscoll

This paper proposes an efficient method for computing selected generalized eigenpairs of a sparse Hermitian definite matrix pencil $(A,B)$. Based on Zolotarev's best rational function approximations of the signum function and conformal…

Numerical Analysis · Mathematics 2021-01-01 Yingzhou Li , Haizhao Yang

Implementing polynomial functions of Hermitian matrices on quantum hardware is a foundational task in quantum computing, critical for accurate Hamiltonian simulation, quantum linear system solving, high-fidelity state preparation, machine…

Simulating the time-evolution of quantum mechanical systems is BQP-hard and expected to be one of the foremost applications of quantum computers. We consider classical algorithms for the approximation of Hamiltonian dynamics using…

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