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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

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

We introduce the Markovian matrix product density operator, which is a special subclass of the matrix product density operator. We show that the von Neumann entropy of such ansatz can be computed efficiently on a classical computer. This is…

Quantum Physics · Physics 2017-09-28 Isaac H. Kim

Approximating the action of a matrix function $f(\mathbf{A})$ on a vector $\mathbf{b}$ is an increasingly important primitive in machine learning, data science, and statistics, with applications such as sampling high dimensional Gaussians,…

Numerical Analysis · Mathematics 2024-11-07 Noah Amsel , Tyler Chen , Anne Greenbaum , Cameron Musco , Chris Musco

We analyze the Lanczos method for matrix function approximation (Lanczos-FA), an iterative algorithm for computing $f(\mathbf{A}) \mathbf{b}$ when $\mathbf{A}$ is a Hermitian matrix and $\mathbf{b}$ is a given vector. Assuming that $f :…

Numerical Analysis · Mathematics 2022-05-19 Tyler Chen , Anne Greenbaum , Cameron Musco , Christopher Musco

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

We consider the representation of operators in terms of tensor networks and their application to ground-state approximation and time evolution of systems with long-range interactions. We provide an explicit construction to represent an…

Quantum Physics · Physics 2010-07-20 F. Fröwis , V. Nebendahl , W. Dür

This research introduces an improved framework for constructing matrix product operators (MPOs) and tree tensor network operators (TTNOs), crucial tools in quantum simulations. A given (Hamiltonian) operator typically has a known symbolic…

Quantum Physics · Physics 2025-07-04 Hazar Çakır , Richard M. Milbradt , Christian B. Mendl

We present a new approach to the static finite temperature correlation functions of the Heisenberg chain based on functional equations. An inhomogeneous generalization of the n-site density operator is considered. The lattice path integral…

Statistical Mechanics · Physics 2012-08-09 Britta Aufgebauer , Andreas Klümper

We present a general method for simulating lattice gauge theories in low dimensions using infinite matrix product states (iMPS). A central challenge in Hamiltonian formulations of gauge theories is the unbounded local Hilbert space…

Strongly Correlated Electrons · Physics 2025-08-21 Nicholas Godfrey , Ian P. McCulloch

An algorithm is presented which computes a translationally invariant matrix product state approximation of the ground state of an infinite 1D system; it does this by embedding sites into an approximation of the infinite ``environment'' of…

Other Condensed Matter · Physics 2008-08-18 Gregory M. Crosswhite , Andrew C. Doherty , Guifre Vidal

We present a new method for compressing matrix product operators (MPOs) which represent sums of local terms, such as Hamiltonians. Just as with area law states, such local operators may be fully specified with a small amount of information…

Strongly Correlated Electrons · Physics 2020-09-22 Daniel E. Parker , Xiangyu Cao , Michael P. Zaletel

Given a set of matrices, modeled as samples of a matrix-valued function, we suggest a method to approximate the underline function using a product approximation operator. This operator extends known approximation methods by exploiting the…

Numerical Analysis · Mathematics 2016-11-15 Nira Dyn , Uri Itai , Nir Sharon

We significantly enhance the simulation accuracy of initial Trotter circuits for Hamiltonian simulation of quantum systems by integrating first-order Riemannian optimization with tensor network methods. Unlike previous approaches, our…

Quantum Physics · Physics 2025-12-30 Isabel Nha Minh Le , Shuo Sun , Christian B. Mendl

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 consider the problem of approximating the von Neumann entropy of a large, sparse, symmetric positive semidefinite matrix $A$, defined as $\operatorname{tr}(f(A))$ where $f(x)=-x\log x$. After establishing some useful properties of this…

Numerical Analysis · Mathematics 2023-06-23 Michele Benzi , Michele Rinelli , Igor Simunec

Trotter product formulas constitute a cornerstone quantum Hamiltonian simulation technique. However, the efficient implementation of Hamiltonian evolution of nested commutators remains an under explored area. In this work, we construct…

Quantum Physics · Physics 2025-01-22 F. Casas , A. Escorihuela-Tomàs , P. A. Moreno Casares

In a recent paper we have suggested that the finite temperature density matrix can be computed efficiently by a combination of polynomial expansion and iterative inversion techniques. We present here significant improvements over this…

Materials Science · Physics 2010-10-19 Michele Ceriotti , Thomas D. Kühne , Michele Parrinello

Truncating the Fourier transform averaged by means of a generalized Hausdorff operator, we approximate the adjoint to that Hausdorff operator of the given function. We find the formulas for the rate of approximation in various metrics in…

Classical Analysis and ODEs · Mathematics 2019-07-31 Alberto Debernardi , Elijah Liflyand

Polynomial Krylov subspace methods are among the most widely used methods for approximating $f(A)b$, the action of a matrix function on a vector, in particular when $A$ is large and sparse. When $A$ is Hermitian positive definite, the…

Numerical Analysis · Mathematics 2025-03-07 Marcel Schweitzer
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