相关论文: Evaluating functions of positive-definite matrices…
Recently, we have shown how a colored-noise Langevin equation can be used in the context of molecular dynamics as a tool to obtain dynamical trajectories whose properties are tailored to display desired sampling features. In the present…
Generalized Langevin Equation (GLE) thermostats have been used very effectively as a tool to manipulate and optimize the sampling of thermodynamic ensembles and the associated static properties. Here we show that a similar, exquisite level…
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…
An efficient method for the calculation of ferromagnetic resonant modes of magnetic structures is presented. Finite-element discretization allows flexible geometries and location dependent material parameters. The resonant modes can be used…
In this paper we study the thermal effective behaviour for 3D multiphase composite material consisting of three isotropic phases which are the matrix, the inclusions and the coating media. For this purpose we use an accelerated FFT-based…
The real-space density-functional perturbation theory (DFPT) for the computations of the response properties with respect to the atomic displacement and homogeneous electric field perturbation has been recently developed and implemented…
This paper addresses the fundamental task of estimating covariance matrix functions for high-dimensional functional data/functional time series. We consider two functional factor structures encompassing either functional factors with scalar…
Total energy electronic structure calculations, based on density functional theory or on the more empirical tight binding approach, are generally believed to scale as the cube of the number of electrons. By using the localisaton property of…
Nonnegative matrix factorization is a powerful technique to realize dimension reduction and pattern recognition through single-layer data representation learning. Deep learning, however, with its carefully designed hierarchical structure,…
This article introduces a framework for measuring the uncertain behaviour of a changing system in terms of the solution of a class of fractional stochastic differential equations (fsDEs). This is accomplished via operational matrices based…
Active and passive thermography are two efficient techniques extensively used to measure heterogeneous thermal patterns leading to subsurface defects for diagnostic evaluations. This study conducts a comparative analysis on low-rank matrix…
The computation of matrix functions $f(A)$, or related quantities like their trace, is an important but challenging task, in particular for large and sparse matrices $A$. In recent years, probing methods have become an often considered tool…
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…
Sparse matrix factorization is a popular tool to obtain interpretable data decompositions, which are also effective to perform data completion or denoising. Its applicability to large datasets has been addressed with online and randomized…
In this work we perform some mathematical analysis on non-negative matrix factorizations (NMF) and apply NMF to some imaging and inverse problems. We will propose a sparse low-rank approximation of big positive data and images in terms of…
The nonlinear formulation developed based on von Karman's assumptions is employed to study the free vibration characteristics of functionally graded material (FGM) plates subjected to thermal environment. Temperature field is assumed to be…
An implicit purification scheme is proposed for calculation of the temperature-dependent, grand canonical single-particle density matrix, given as a Fermi operator expansion in terms of the Hamiltonian. The computational complexity is shown…
In this paper, equilibrium and stability equations of functionally graded material (FGM) plate under thermal environment are formulated based on isogeometric analysis (IGA) in combination with higher-order shear deformation theory (HSDT).…
In this paper, a non-uniform rational B-spline based iso-geometric finite element method is used to study the static and dynamic characteristics of functionally graded material (FGM) plates. The material properties are assumed to be graded…
The purpose of this article is to propose ODE based approaches for the numerical evaluation of matrix functions $f(A)$, a question of major interest in the numerical linear algebra. To this end, we model $f(A)$ as the solution at a finite…