Approximating spectral densities of large matrices
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Publication:2808266
Abstract: In physics, it is sometimes desirable to compute the so-called emph{Density Of States} (DOS), also known as the emph{spectral density}, of a real symmetric matrix . The spectral density can be viewed as a probability density distribution that measures the likelihood of finding eigenvalues near some point on the real line. The most straightforward way to obtain this density is to compute all eigenvalues of . But this approach is generally costly and wasteful, especially for matrices of large dimension. There exists alternative methods that allow us to estimate the spectral density function at much lower cost. The major computational cost of these methods is in multiplying with a number of vectors, which makes them appealing for large-scale problems where products of the matrix with arbitrary vectors are relatively inexpensive. This paper defines the problem of estimating the spectral density carefully, and discusses how to measure the accuracy of an approximate spectral density. It then surveys a few known methods for estimating the spectral density, and proposes some new variations of existing methods. All methods are discussed from a numerical linear algebra point of view.
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Cites work
- scientific article; zbMATH DE number 3425963 (Why is no real title available?)
- scientific article; zbMATH DE number 5278506 (Why is no real title available?)
- scientific article; zbMATH DE number 5299157 (Why is no real title available?)
- scientific article; zbMATH DE number 3179793 (Why is no real title available?)
- scientific article; zbMATH DE number 3179593 (Why is no real title available?)
- scientific article; zbMATH DE number 3753925 (Why is no real title available?)
- scientific article; zbMATH DE number 3765726 (Why is no real title available?)
- scientific article; zbMATH DE number 1049353 (Why is no real title available?)
- scientific article; zbMATH DE number 6159604 (Why is no real title available?)
- scientific article; zbMATH DE number 3243288 (Why is no real title available?)
- scientific article; zbMATH DE number 3301601 (Why is no real title available?)
- scientific article; zbMATH DE number 3056963 (Why is no real title available?)
- A Stochastic Estimator of the Trace of the Influence Matrix for Laplacian Smoothing Splines
- Bounding the spectrum of large Hermitian matrices
- Calculation of Gauss Quadrature Rules
- Computational Aspects of Three-Term Recurrence Relations
- Computing probabilistic bounds for extreme eigenvalues of symmetric matrices with the Lanczos method
- Construction of Gauss-Christoffel Quadrature Formulas
- Electronic structure calculations for plane-wave codes without diagonalization
- Geometry of moment spaces
- HANS BETHE'S CONTRIBUTIONS TO SOLID-STATE PHYSICS
- Kernel polynomial approximations for densities of states and spectral functions
- Large-scale normal coordinate analysis for molecular structures
- Matrix pseudo-spectroscopy: Iterative calculation of matrix eigenvalues and eigenvectors of large matrices using a polynomial expansion of the Dirac delta function
- Randomized algorithms for estimating the trace of an implicit symmetric positive semi-definite matrix
- Self-consistent-field calculations using Chebyshev-filtered subspace iteration
- The University of Florida sparse matrix collection
- The kernel polynomial method
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- A Multilevel Approach to Variance Reduction in the Stochastic Estimation of the Trace of a Matrix
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- A contour-integral based method for counting the eigenvalues inside a region
- Bulk spectrum and \(K\)-theory for infinite-area topological quasicrystals
- Fast computation of spectral densities for generalized eigenvalue problems
- Computing the density of states for optical spectra of molecules by low-rank and QTT tensor approximation
- Solving large-scale interior eigenvalue problems to investigate the vibrational properties of the boson peak regime in amorphous materials
- Fast randomized numerical rank estimation for numerically low-rank matrices
- ELSI -- an open infrastructure for electronic structure solvers
- Scalable implementation of polynomial filtering for density functional theory calculation in PARSEC
- \texttt{SpecSolve}: spectral methods for spectral measures
- Computing spectral measures and spectral types
- On randomized trace estimates for indefinite matrices with an application to determinants
- Rational Spectral Filters with Optimal Convergence Rate
- A thick-restart Lanczos algorithm with polynomial filtering for Hermitian eigenvalue problems
- The Lanczos Algorithm Under Few Iterations: Concentration and Location of the Output
- Limited‐memory polynomial methods for large‐scale matrix functions
- A literature survey of matrix methods for data science
- Efficient estimation of eigenvalue counts in an interval.
- Weighted Trace-Penalty Minimization for Full Configuration Interaction
- Numerical approximation of the spectrum of self-adjoint operators in operator preconditioning
- Stochastic algorithms for self-consistent calculations of electronic structures
- On spectral density of Neumann matrices
- Spectrally optimized pointset configurations
- Split representation of adaptively compressed polarizability operator
- Krylov complexity and spectral form factor for noisy random matrix models
- Computing the QRPA level density with the finite amplitude method
- Inertia laws and localization of real eigenvalues for generalized indefinite eigenvalue problems
- Spectrum Approximation Beyond Fast Matrix Multiplication: Algorithms and Hardness
- Towards understanding CG and GMRES through examples
- Approximating matrix eigenvalues by subspace iteration with repeated random sparsification
- Mathematical methods in quantum chemistry. Abstracts from the workshop held March 18--24, 2018
- Epistemic uncertainty quantification in deep learning classification by the delta method
- A partitioned shift-without-invert algorithm to improve parallel eigensolution efficiency in real-space electronic transport
- Some error analysis for the quantum phase estimation algorithms
- Computing Spectral Measures of Self-Adjoint Operators
- How accurately should I compute implicit matrix-vector products when applying the Hutchinson trace estimator?
- Fast estimation of \(\mathrm{tr}(f(A))\) via stochastic Lanczos quadrature
- Fast iterative solution of the Bethe-Salpeter eigenvalue problem using low-rank and QTT tensor approximation
- Computational materials science and engineering
- Divide-and-conquer methods for functions of matrices with banded or hierarchical low-rank structure
- Randomized estimation of spectral densities of large matrices made accurate
- The eigenvalues slicing library (EVSL): algorithms, implementation, and software
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