English
Related papers

Related papers: Matrix-free algorithms for fast ab initio calculat…

200 papers

The capability of discretization of matrix elements in the problem of quadratic functional minimization with linear member built on matrix in N-dimensional configuration space with discrete coordinates is researched. It is shown, that…

Neural and Evolutionary Computing · Computer Science 2012-05-04 Boris Kryzhanovsky , Mikhail Kryzhanovsky , Magomed Malsagov

We present a finite element scheme for fractional diffusion problems with varying diffusivity and fractional order. We consider a symmetric integral form of these nonlocal equations defined on general geometries and in arbitrary bounded…

Numerical Analysis · Mathematics 2023-06-28 Wenyu Lei , George Turkiyyah , Omar Knio

We introduce the Fast Free Memory method (FFM), a new fast method for the numerical evaluation of convolution products. Inheriting from the Fast Multipole Method, the FFM is a descent-only and kernel-independent algorithm. We give the…

Numerical Analysis · Mathematics 2019-09-13 Matthieu Aussal , Marc Bakry

Noncollinear (NC) magnetism and spin-orbit coupling (SOC) are indispensable for predictive ab initio materials simulations with pronounced relativistic effects and magnetic frustration, yet they significantly increase the cost of…

In the present work, we investigate the computational efficiency afforded by higher-order finite-element discretization of the saddle-point formulation of orbital-free density functional theory. We first investigate the robustness of viable…

Computational Physics · Physics 2015-05-30 Phani Motamarri , Mrinal Iyer , Jaroslaw Knap , Vikram Gavini

Multi-dimensional discrete Fourier transforms (DFT) are typically decomposed into multiple 1D transforms. Hence, parallel implementations of any multi-dimensional DFT focus on parallelizing within or across the 1D DFT. Existing DFT packages…

Mathematical Software · Computer Science 2019-12-24 Doru Thom Popovici , Martin D. Schatz , Franz Franchetti , Tze Meng Low

The article presents a computationally effective algorithm for calculating the multiresolution discrete Fourier transform (MrDFT). The algorithm is based on the idea of reducing the computational complexity which was introduced by Wen and…

Data Structures and Algorithms · Computer Science 2015-07-10 Bartosz Andreatto , Aleksandr Cariow

LU and Cholesky matrix factorization algorithms are core subroutines used to solve systems of linear equations (SLEs) encountered while solving an optimization problem. Standard factorization algorithms are highly efficient but remain…

Numerical Analysis · Mathematics 2022-07-25 Adolfo R. Escobedo

Matrix factorization (MF) is a widely used collaborative filtering (CF) algorithm for recommendation systems (RSs), due to its high prediction accuracy, great flexibility and high efficiency in big data processing. However, with the…

Information Retrieval · Computer Science 2026-03-26 Yining Wu , Shengyu Duan , Gaole Sai , Chenhong Cao , Guobing Zou

Affine Frequency Division Multiplexing (AFDM), which is based on discrete affine Fourier transform (DAFT), has recently been proposed for reliable communication in high-mobility scenarios. Two low complexity detectors for AFDM are…

Information Theory · Computer Science 2022-03-08 Ali Bemani , Nassar Ksairi , Marios Kountouris

In this work, we present the \emph{twiddless fast Fourier transform (TFFT)}, a novel algorithm for computing the $N$-point discrete Fourier transform (DFT). The TFFT's divide strategy builds on recent results that decimate an $N$-point…

Computational Complexity · Computer Science 2025-12-23 Saulo Queiroz

Nonnegative matrix factorization (NMF) is a powerful technique for dimension reduction, extracting latent factors and learning part-based representation. For large datasets, NMF performance depends on some major issues: fast algorithms,…

Optimization and Control · Mathematics 2015-07-01 Duy-Khuong Nguyen , Tu-Bao Ho

Edge devices are being deployed at increasing volumes to sense and act on information from the physical world. The discrete Fourier transform (DFT) is often necessary to make this sensed data suitable for further processing -- such as by…

Discrete transforms such as the discrete Fourier transform (DFT) and the discrete Hartley transform (DHT) are important tools in numerical analysis. The successful application of transform techniques relies on the existence of efficient…

Numerical Analysis · Computer Science 2015-02-06 H. M. de Oliveira , R. J. Cintra , R. M. Campello de Souza

For single-carrier systems with frequency domain equalization, decision feedback equalization (DFE) performs better than linear equalization and has much lower computational complexity than sequence maximum likelihood detection. The main…

Information Theory · Computer Science 2015-05-27 Jovana Ilic , Thomas Strohmer

The rapid adoption of low-precision arithmetic in artificial intelligence and edge computing has created a strong demand for energy-efficient and flexible floating-point multiply-accumulate (MAC) units. This paper presents a dual-precision…

Hardware Architecture · Computer Science 2026-04-10 Shubham Kumar , Vijay Pratap Sharma , Vaibhav Neema , Santosh Kumar Vishvakarma

We develop a family of stabilized backward differentiation formula (sBDF) schemes of orders one through four for semilinear parabolic equations. The proposed methods are designed to achieve three properties that are rarely available…

Numerical Analysis · Mathematics 2026-03-25 Haishen Dai , Huan Lei , Bin Zheng

In this paper we develop the first fine-grained rounding error analysis of finite element (FE) cell kernels and assembly. The theory includes mixed-precision implementations and accounts for hardware-acceleration via matrix multiplication…

Numerical Analysis · Mathematics 2024-10-17 M. Croci , G. N. Wells

We present an algorithmic framework for matrix-free evaluation of discontinuous Galerkin finite element operators based on sum factorization on quadrilateral and hexahedral meshes. We identify a set of kernels for fast quadrature on cells…

Mathematical Software · Computer Science 2019-09-11 Martin Kronbichler , Katharina Kormann

Numerical integration of the stiffness matrix in higher order finite element (FE) methods is recognized as one of the heaviest computational tasks in a FE solver. The problem becomes even more relevant when computing the Gram matrix in the…

Numerical Analysis · Mathematics 2017-11-06 Jaime Mora , Leszek Demkowicz