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Density functional theory is a successful branch of numerical simulations of quantum systems. While the foundations are rigorously defined, the universal functional must be approximated resulting in a `semi'-ab initio approach. The search…

Quantum Physics · Physics 2017-11-22 James Daniel Whitfield , Norbert Schuch , Frank Verstraete

Inspired by the quantum computing algorithms for Linear Algebra problems [HHL,TaShma] we study how the simulation on a classical computer of this type of "Phase Estimation algorithms" performs when we apply it to solve the Eigen-Problem of…

Data Structures and Algorithms · Computer Science 2017-04-07 Michael Ben-Or , Lior Eldar

Quantum computation offers a promising alternative to classical computing methods in many areas of numerical science, with algorithms that make use of the unique way in which quantum computers store and manipulate data often achieving…

Quantum Physics · Physics 2022-07-19 Christopher D. Phillips , Vladimir I. Okhmatovski

We show that the optimal complexity of Nesterov's smooth first-order optimization algorithm is preserved when the gradient is only computed up to a small, uniformly bounded error. In applications of this method to semidefinite programs,…

Optimization and Control · Mathematics 2008-05-16 Alexandre d'Aspremont

We introduce the Hidden Polynomial Function Graph Problem as a natural generalization of an abelian Hidden Subgroup Problem (HSP) where the subgroups and their cosets correspond to graphs of linear functions over the finite field F_p. For…

Quantum Physics · Physics 2007-05-23 Thomas Decker , Pawel Wocjan

A collection of algorithms is described for numerically computing with smooth functions defined on the unit disk. Low rank approximations to functions in polar geometries are formed by synthesizing the disk analogue of the double Fourier…

Numerical Analysis · Mathematics 2017-03-28 Heather Wilber , Alex Townsend , Grady Wright

This paper studies the estimation of smooth functionals $f(\theta)$ of a mean parameter $\theta = \mathbb{E}_P[W]$ for a distribution $P$ on a general Banach space. We propose a cross-fitted estimator based on a single sample splitting and…

Statistics Theory · Mathematics 2026-04-03 Woonyoung Chang , Arun Kumar Kuchibhotla

Many promising quantum applications depend on the efficient quantum simulation of an exponentially large sparse Hamiltonian, a task known as sparse Hamiltonian simulation, which is fundamentally important in quantum computation. Although…

Quantum Physics · Physics 2025-09-16 Jiaqi Leng , Joseph Li , Yuxiang Peng , Xiaodi Wu

Given a square, nonsingular matrix of univariate polynomials $\mathbf{F} \in \mathbb{K}[x]^{n \times n}$ over a field $\mathbb{K}$, we give a fast, deterministic algorithm for finding the Hermite normal form of $\mathbf{F}$ with complexity…

Symbolic Computation · Computer Science 2016-02-08 George Labahn , Wei Zhou

An algorithm to classify a general Hermitian matrix according to its signature (positive semi-definite, negative or indefinite) is presented. It builds on the Quantum Phase Estimation algorithm, which stores the sign of the eigenvalues of a…

Quantum Physics · Physics 2022-11-28 Andrés Gómez , Javier Mas

This work is concerned with approximating the smallest eigenvalue of a parameter-dependent Hermitian matrix $A(\mu)$ for many parameter values $\mu \in \mathbb{R}^P$. The design of reliable and efficient algorithms for addressing this task…

Numerical Analysis · Mathematics 2015-04-24 Petar Sirković , Daniel Kressner

Quantum algorithms for diverse problems, including search and optimization problems, require the implementation of a reflection operator over a target state. Commonly, such reflections are approximately implemented using phase estimation.…

Quantum Physics · Physics 2018-03-08 Anirban Narayan Chowdhury , Yigit Subasi , Rolando D. Somma

We present a method to approximate functionals $\text{Tr} \, f(A)$ of very high-dimensional hermitian matrices $A$ represented as Matrix Product Operators (MPOs). Our method is based on a reformulation of a block Lanczos algorithm in tensor…

Numerical Analysis · Computer Science 2021-04-06 Moritz August , Mari Carmen Bañuls , Thomas Huckle

In this paper, we discuss the problem of minimizing the sum of two convex functions: a smooth function plus a non-smooth function. Further, the smooth part can be expressed by the average of a large number of smooth component functions, and…

Machine Learning · Computer Science 2016-11-17 Luo Luo , Zihao Chen , Zhihua Zhang , Wu-Jun Li

Many quantum algorithms for ground-state preparation and energy estimation require the implementation of high-degree polynomials of a Hamiltonian to achieve better convergence rates. Their circuit implementation typically relies on quantum…

Quantum Physics · Physics 2025-12-25 Youngjun Park , Minhyeok Kang , Chae-Yeun Park , Joonsuk Huh

We study the problem of approximating a matrix $\mathbf{A}$ with a matrix that has a fixed sparsity pattern (e.g., diagonal, banded, etc.), when $\mathbf{A}$ is accessed only by matrix-vector products. We describe a simple randomized…

Data Structures and Algorithms · Computer Science 2024-03-27 Noah Amsel , Tyler Chen , Feyza Duman Keles , Diana Halikias , Cameron Musco , Christopher Musco

Successful implementations of quantum technologies require protocols and algorithms that use as few quantum resources as possible. However, many important quantum operations, such as continuous rotation gates in quantum computing or…

Quantum Physics · Physics 2025-01-09 Bálint Koczor

We describe a quantum algorithm based on an interior point method for solving a linear program with $n$ inequality constraints on $d$ variables. The algorithm explicitly returns a feasible solution that is $\varepsilon$-close to optimal,…

Quantum Physics · Physics 2026-02-02 Simon Apers , Sander Gribling

Finite-sum optimization has wide applications in machine learning, covering important problems such as support vector machines, regression, etc. In this paper, we initiate the study of solving finite-sum optimization problems by quantum…

Quantum Physics · Physics 2024-06-06 Yexin Zhang , Chenyi Zhang , Cong Fang , Liwei Wang , Tongyang Li

We describe efficient differentiation methods for computing Jacobians and gradients of a large class of matrix functions including the matrix logarithm $\log(A)$ and $p$-th roots $A^{\frac{1}{p}}$. We exploit contour integrals and conformal…

Computational Physics · Physics 2025-01-06 Tina Torabi , Timon S Gutleb , Christoph Ortner