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A top-level designed forecasting system for predicting computational times of density-functional theory (DFT)/time-dependent density-functional theory (TDDFT) calculations is presented. The computational time is assumed as the intrinsic…

Computational Physics · Physics 2020-12-18 Shuo Ma , Yingjin Ma , Baohua Zhang , Yingqi Tian , Zhong Jin

Two methods for fast Fourier transforms are used in a quantum context. The first method is for systems with dimension of the Hilbert space $D=d^n$ with $d$ an odd integer, and is inspired by the Cooley-Tukey formalism. The `large Fourier…

Quantum Physics · Physics 2024-05-09 C. Lei , A. Vourdas

In this paper, we propose the Fourier frequency vector (FFV), inherently, associated with multidimensional Fourier transform. With the help of FFV, we are able to provide physical meaning of so called negative frequencies in…

Information Theory · Computer Science 2019-05-13 Pushpendra Singh , Shiv Dutt Joshi

In many processes, the variations in underlying characteristics can be approximated by noisy multi-periodic patterns. If large-scale patterns are superimposed by a noise with long-range correlations, the detection of multi-periodic patterns…

Quantitative Methods · Quantitative Biology 2019-12-09 V. R. Chechetkin , V. V. Lobzin

Energy evaluation using fast Fourier transforms enables sampling billions of putative complex structures and hence revolutionized rigid protein-protein docking. However, in current methods efficient acceleration is achieved only in either…

The graph Fourier transform (GFT) is in general dense and requires O(n^2) time to compute and O(n^2) memory space to store. In this paper, we pursue our previous work on the approximate fast graph Fourier transform (FGFT). The FGFT is…

Numerical Analysis · Computer Science 2017-11-07 Luc LeMagoarou , Nicolas Tremblay , Rémi Gribonval

This project is aimed at designing the fast forward projection algorithm and also the backprojection algorithm for cone beam CT imaging systems with circular X-ray source trajectory. The principle of the designs is based on utilizing the…

Data Structures and Algorithms · Computer Science 2016-05-18 Junqi Tang

The quantum Fourier transform (QFT), a quantum analog of the classical Fourier transform, has been shown to be a powerful tool in developing quantum algorithms. However, in classical computing there is another class of unitary transforms,…

Quantum Physics · Physics 2007-05-23 Amir Fijany , Colin P. Williams

Diffuse scattering is a rich source of information about disorder in crystalline materials, which can be modelled using atomistic techniques such as Monte Carlo and molecular dynamics simulations. Modern X-ray and neutron scattering…

Materials Science · Physics 2018-12-21 Joseph A. M. Paddison

Wavelet transforms are widely used in various fields of science and engineering as a mathematical tool with features that reveal information ignored by the Fourier transform. Unlike the Fourier transform, which is unique, a wavelet…

Quantum Physics · Physics 2024-04-23 Mohsen Bagherimehrab , Alan Aspuru-Guzik

Stencil computations are widely used to simulate the change of state of physical systems across a multidimensional grid over multiple timesteps. The state-of-the-art techniques in this area fall into three groups: cache-aware tiled looping…

Data Structures and Algorithms · Computer Science 2021-05-17 Zafar Ahmad , Rezaul Chowdhury , Rathish Das , Pramod Ganapathi , Aaron Gregory , Yimin Zhu

We construct an algorithm for implementing the discrete wavelet transform by means of matrices in SO_2(R) for orthonormal compactly supported wavelets and matrices in SL_m(R), m > = 2, for compactly supported biorthogonal wavelets. We show…

Mathematical Software · Computer Science 2007-05-23 Eirik Fossgaard

Non-uniform fast Fourier Transform (NUFFT) and inverse NUFFT (INUFFT) algorithms, based on the Fast Multipole Method (FMM) are developed and tested. Our algorithms are based on a novel factorization of the FFT kernel, and are implemented…

Numerical Analysis · Computer Science 2016-11-30 Nail A. Gumerov , Ramani Duraiswami

We consider the problem of computing the Fourier transform of high-dimensional vectors, distributedly over a cluster of machines consisting of a master node and multiple worker nodes, where the worker nodes can only store and process a…

Distributed, Parallel, and Cluster Computing · Computer Science 2017-10-19 Qian Yu , Mohammad Ali Maddah-Ali , A. Salman Avestimehr

The singular values of convolutional mappings encode interesting spectral properties, which can be used, e.g., to improve generalization and robustness of convolutional neural networks as well as to facilitate model compression. However,…

Machine Learning · Computer Science 2025-06-09 Antonia van Betteray , Matthias Rottmann , Karsten Kahl

We set new speed records for multiplying long polynomials over finite fields of characteristic two. Our multiplication algorithm is based on an additive FFT (Fast Fourier Transform) by Lin, Chung, and Huang in 2014 comparing to previously…

Symbolic Computation · Computer Science 2018-01-08 Ming-Shing Chen , Chen-Mou Cheng , Po-Chun Kuo , Wen-Ding Li , Bo-Yin Yang

We survey a new application of the Weil representation to construct a canonical basis of eigenvectors for the discrete Fourier transform (DFT). The transition matrix from the standard basis to the canonical basis defines a novel transform…

Information Theory · Computer Science 2009-02-05 SHamgar Gurevich , Ronny Hadani

Many multi-dimensional signals appear in the real world, such as digital images and data that has spatial and temporal dimensions. How to show the spectrum of these multi-dimensional signals correctly is a key challenge in the field of…

Signal Processing · Electrical Eng. & Systems 2021-09-10 Fang-Jia Yan , Bing-Zhao Li

Study of general purpose computation by GPU (Graphics Processing Unit) can improve the image processing capability of micro-computer system. This paper studies the parallelism of the different stages of decimation in time radix 2 FFT…

Mathematical Software · Computer Science 2015-06-01 Feifei Shen , Zhenjian Song , Congrui Wu , Jiaqi Geng , Qingyun Wang

The quantum Fourier transform (QFT) brings efficiency in many respects, especially usage of resource, for most operations on quantum computers. In this study, the existing QFT-based and non-QFT-based quantum arithmetic operations are…

Information Theory · Computer Science 2020-10-09 Engin Şahin