Approximating spectral densities of large matrices
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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
- 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
- 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?)
- 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 kernel polynomial method
- The University of Florida sparse matrix collection
Cited in
(51)- A partitioned shift-without-invert algorithm to improve parallel eigensolution efficiency in real-space electronic transport
- Fast iterative solution of the Bethe-Salpeter eigenvalue problem using low-rank and QTT tensor approximation
- Mathematical methods in quantum chemistry. Abstracts from the workshop held March 18--24, 2018
- On spectral density of Neumann matrices
- A contour-integral based method for counting the eigenvalues inside a region
- Computing spectral measures and spectral types
- Split representation of adaptively compressed polarizability operator
- Localized Fourier analysis for graph signal processing
- Numerical approximation of the spectrum of self-adjoint operators in operator preconditioning
- 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
- Inertia laws and localization of real eigenvalues for generalized indefinite eigenvalue problems
- Spectrally optimized pointset configurations
- On randomized trace estimates for indefinite matrices with an application to determinants
- A thick-restart Lanczos algorithm with polynomial filtering for Hermitian eigenvalue problems
- How accurately should I compute implicit matrix-vector products when applying the Hutchinson trace estimator?
- Efficient estimation of eigenvalue counts in an interval.
- Computational materials science and engineering
- Fast computation of spectral densities for generalized eigenvalue problems
- Fast estimation of \(\mathrm{tr}(f(A))\) via stochastic Lanczos quadrature
- Spectrum Approximation Beyond Fast Matrix Multiplication: Algorithms and Hardness
- Rational Spectral Filters with Optimal Convergence Rate
- Computing Spectral Measures of Self-Adjoint Operators
- Divide-and-conquer methods for functions of matrices with banded or hierarchical low-rank structure
- Approximating matrix eigenvalues by subspace iteration with repeated random sparsification
- Some error analysis for the quantum phase estimation algorithms
- A Multilevel Approach to Variance Reduction in the Stochastic Estimation of the Trace of a Matrix
- The Lanczos Algorithm Under Few Iterations: Concentration and Location of the Output
- The eigenvalues slicing library (EVSL): algorithms, implementation, and software
- Bulk spectrum and \(K\)-theory for infinite-area topological quasicrystals
- Randomized estimation of spectral densities of large matrices made accurate
- Fast Estimation of Approximate Matrix Ranks Using Spectral Densities
- Adaptively compressed polarizability operator for accelerating large scale ab initio phonon calculations
- Stochastic algorithms for self-consistent calculations of electronic structures
- ELSI -- an open infrastructure for electronic structure solvers
- Scalable implementation of polynomial filtering for density functional theory calculation in PARSEC
- Epistemic uncertainty quantification in deep learning classification by the delta method
- A literature survey of matrix methods for data science
- Limited‐memory polynomial methods for large‐scale matrix functions
- Krylov complexity and spectral form factor for noisy random matrix models
- Fast randomized numerical rank estimation for numerically low-rank matrices
- Weighted Trace-Penalty Minimization for Full Configuration Interaction
- Towards understanding CG and GMRES through examples
- \texttt{SpecSolve}: spectral methods for spectral measures
- Computing the QRPA level density with the finite amplitude method
- Universal matrix sparsifiers and fast deterministic algorithms for linear algebra
- Randomized matrix-free quadrature: unified and uniform bounds for stochastic Lanczos quadrature and the kernel polynomial method
- The kernel polynomial method based on Jacobi polynomials
- ContHutch++: stochastic trace estimation for implicit integral operators
- Estimation of spectral gaps for sparse symmetric matrices
- Title not available (Why is no real title available?)
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