相关论文: Efficient Recursion Method for Inverting Overlap M…
Iterative Fast Fourier Transform methods are useful for calculating the fields in composite materials and their macroscopic response. By iterating back and forth until convergence, the differential constraints are satisfied in Fourier…
This paper proposes uni-orthogonal and bi-orthogonal nonnegative matrix factorization algorithms with robust convergence proofs. We design the algorithms based on the work of Lee and Seung [1], and derive the converged versions by utilizing…
This paper presents a regenerative variant of the classical Ulam-von Neumann Markov chain Monte Carlo algorithm for the approximation of the matrix inverse. The algorithm presented in this paper, termed regenerative Ulam-von Neumann…
Optical neural networks (ONN) based on micro-ring resonators (MRR) have emerged as a promising alternative to significantly accelerating the massive matrix-vector multiplication (MVM) operations in artificial intelligence (AI) applications.…
In this short paper, the authors report a new computational approach in the context of Density Functional Theory (DFT). It is shown how it is possible to speed up the self-consistent cycle (iteration) characterizing one of the most…
In [8] (Nakagawa, et.al., IEEE Trans. IT, 2021), we investigated the convergence speed of the Arimoto-Blahut algorithm. In [8], the convergence of the order $O(1/N)$ was analyzed by focusing on the second-order nonlinear recurrence formula…
The quest for an algorithm that solves an $n\times n$ linear system in $O(n^2)$ time complexity, or $O(n^2 \text{poly}(1/\epsilon))$ when solving up to $\epsilon$ relative error, is a long-standing open problem in numerical linear algebra…
We exploit the truncated singular value decomposition and the recently proposed circulant decomposition for an efficient first-order approximation of the multiplication of large dense matrices. A decomposition of each matrix into a sum of a…
In distributed optimization and distributed numerical linear algebra, we often encounter an inversion bias: if we want to compute a quantity that depends on the inverse of a sum of distributed matrices, then the sum of the inverses does not…
The inverse problem of Kohn-Sham density functional theory (DFT) is often solved in an effort to benchmark and design approximate exchange-correlation potentials. The forward and inverse problems of DFT rely on the same equations but the…
We present an efficient numerical method for computing Hamiltonian matrix elements between non-orthogonal Slater determinants, focusing on the most time-consuming component of the calculation that involves a sparse array. In the usual case…
Kernel matrices appear in machine learning and non-parametric statistics. Given $N$ points in $d$ dimensions and a kernel function that requires $\mathcal{O}(d)$ work to evaluate, we present an $\mathcal{O}(dN\log N)$-work algorithm for the…
We present a method to perform fully selfconsistent density-functional calculations, which scales linearly with the system size and which is well suited for very large systems. It uses strictly localized pseudoatomic orbitals as basis…
We give an algorithm to compute $N$ steps of a convolution quadrature approximation to a continuous temporal convolution using only $O(N \log N)$ multiplications and $O(\log N)$ active memory. The method does not require evaluations of the…
A tensor network renormalization algorithm with global optimization based on the corner transfer matrix is proposed. Since the environment is updated by the corner transfer matrix renormalization group method, the forward-backward iteration…
The recovery of images from the observations that are degraded by a linear operator and further corrupted by Poisson noise is an important task in modern imaging applications such as astronomical and biomedical ones. Gradient-based…
Various applications such as MRI, solution of PDEs, etc. need to perform an inverse nonequispaced fast Fourier transform (NFFT), i. e., compute $M$ Fourier coefficients from given $N$ nonequispaced data. In the present paper we consider…
Methods for calculating an electron density of a periodic crystal constructed using non-orthogonal localised orbitals are discussed. We demonstrate that an existing method based on the matrix expansion of the inverse of the overlap matrix…
Symmetric nonnegative matrix factorization (NMF), a special but important class of the general NMF, is demonstrated to be useful for data analysis and in particular for various clustering tasks. Unfortunately, designing fast algorithms for…
As we all known, the nonnegative matrix factorization (NMF) is a dimension reduction method that has been widely used in image processing, text compressing and signal processing etc. In this paper, an algorithm for nonnegative matrix…