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Density-functional theory (DFT) has revolutionized computer simulations in chemistry and material science. A faithful implementation of the theory requires self-consistent calculations. However, this effort involves repeatedly diagonalizing…

Quantum Physics · Physics 2023-07-17 Taehee Ko , Xiantao Li , Chunhao Wang

The stochastic density functional theory (sDFT) has exhibited advantages over the standard Kohn-Sham DFT method and has become an attractive approach for large-scale electronic structure calculations. The sDFT method avoids the expensive…

Computational Physics · Physics 2025-12-08 Xue Quan , Huajie Chen

Fast Fourier Transform (FFT) is an essential tool in scientific and engineering computation. The increasing demand for mixed-precision FFT has made it possible to utilize half-precision floating-point (FP16) arithmetic for faster speed and…

Distributed, Parallel, and Cluster Computing · Computer Science 2021-04-26 Binrui Li , Shenggan Cheng , James Lin

We consider the problem of secure distributed matrix computation (SDMC), where a \textit{user} queries a function of data matrices generated at distributed \textit{source} nodes. We assume the availability of $N$ honest but curious…

Information Theory · Computer Science 2021-11-16 Nitish Mital , Cong Ling , Deniz Gunduz

The Quantum Fourier transform (QFT) is a key ingredient in most quantum algorithms. We have compared various spin-based quantum computing schemes to implement the QFT from the point of view of their actual time-costs and the accuracy of the…

Quantum Physics · Physics 2014-08-07 Kavita Dorai , Dieter Suter

In quantum information processing (QIP), the quantum Fourier transform (QFT) has a plethora of applications [1] [2] [3]: Shor's algorithm and phase estimation are just a few well-known examples. Shor's quantum factorization algorithm, one…

Quantum Physics · Physics 2022-05-03 Shlomo Kashani , Maryam Alqasemi , Jacob Hammond

The standard particle-in-cell algorithm suffers from grid heating. There exists a gridless alternative which bypasses the deposition step and calculates each Fourier mode of the charge density directly from the particle positions. We show…

Plasma Physics · Physics 2019-09-04 Matthew S. Mitchell , Matthew T. Miecnikowski , Gregory Beylkin , Scott E. Parker

We present an algorithm to reduce the computational effort for the multiplication of a given matrix with an unknown column vector. The algorithm decomposes the given matrix into a product of matrices whose entries are either zero or integer…

Information Theory · Computer Science 2020-02-28 Ralf R. Müller , Bernhard Gäde , Ali Bereyhi

The Fast Fourier Transform (FFT) is widely used in applications such as MRI, CT, and interferometry; however, because of its dependence on uniformly sampled data, it requires the use of gridding techniques for practical implementation. The…

Numerical Analysis · Mathematics 2025-12-22 Federico Achini , Paola Causin , Sara Vanini , Ke Chen , Simone Scacchi

The kernel embedding algorithm is an important component for adapting kernel methods to large datasets. Since the algorithm consumes a major computation cost in the testing phase, we propose a novel teacher-learner framework of learning…

Machine Learning · Statistics 2017-12-08 Jianqiao Wangni , Jingwei Zhuo , Jun Zhu

An integrated photonic circuit architecture to perform a modified-convolution operation based on the Discrete Fractional Fourier Transform (DFrFT) is introduced. This is accomplished by utilizing two nonuniformly-coupled waveguide lattices…

Optics · Physics 2025-02-25 Kevin Zelaya , Mohammad-Ali Miri

The kernel-independent fast multipole method (KIFMM) proposed in [1] is of almost linear complexity. In the original KIFMM the time-consuming M2L translations are accelerated by FFT. However, when more equivalent points are used to achieve…

Numerical Analysis · Computer Science 2015-03-19 Yanchuang Cao , Lihua Wen , Junjie Rong

The discrete Fourier transform (DFT) is an important operator which acts on the Hilbert space of complex valued functions on the ring Z/NZ. In the case where N=p is an odd prime number, we exhibit a canonical basis of eigenvectors for the…

Information Theory · Computer Science 2008-08-26 Shamgar Gurevich , Ronny Hadani , Nir Sochen

The nonuniform discrete Fourier transform (NUDFT) and its inverse are widely used in various fields of scientific computing. In this article, we propose a novel superfast direct inversion method for type-III NUDFT. The proposed method…

Numerical Analysis · Mathematics 2025-12-04 Yingzhou Li , Jingyu Liu

We present RXTX, a new algorithm for computing the product of matrix by its transpose $XX^{t}$ for $X\in \mathbb{R}^{n\times m}$. RXTX uses $5\%$ fewer multiplications and $5\%$ fewer operations (additions and multiplications) than…

Data Structures and Algorithms · Computer Science 2025-05-19 Dmitry Rybin , Yushun Zhang , Zhi-Quan Luo

Inspired by the multiple-exposure fusion approach in computational photography, recently, several practitioners have explored the idea of high dynamic range (HDR) X-ray imaging and tomography. While establishing promising results, these…

Numerical Analysis · Mathematics 2024-04-10 Matthias Beckmann , Ayush Bhandari , Meira Iske

We propose a numerical algorithm for backward stochastic differential equations based on time discretization and trigonometric wavelets. This method combines the effectiveness of Fourier-based methods and the simplicity of a wavelet-based…

Numerical Analysis · Mathematics 2019-03-13 Ki Wai Chau , Cornelis W. Oosterlee

The prevalence of convolution in applications within signal processing, deep neural networks, and numerical solvers has motivated the development of numerous fast convolution algorithms. In many of these problems, convolution is performed…

Numerical Analysis · Mathematics 2020-07-03 Caleb Ju , Edgar Solomonik

Computation of the spherical harmonic rotation coefficients or elements of Wigner's d-matrix is important in a number of quantum mechanics and mathematical physics applications. Particularly, this is important for the Fast Multipole Methods…

Numerical Analysis · Computer Science 2014-04-01 Nail A. Gumerov , Ramani Duraiswami

We propose a Fourier-based approach for optimization of several clustering algorithms. Mathematically, clusters data can be described by a density function represented by the Dirac mixture distribution. The density function can be smoothed…

Machine Learning · Computer Science 2019-09-24 Soheil Mehrabkhani
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