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We develop new approximation algorithms and data structures for representing and computing with multivariate functions using the functional tensor-train (FT), a continuous extension of the tensor-train (TT) decomposition. The FT represents…

Numerical Analysis · Mathematics 2018-12-13 Alex A. Gorodetsky , Sertac Karaman , Youssef M. Marzouk

Real-time time-dependent density functional theory (rt-TDDFT) with hybrid exchange-correlation functional has wide-ranging applications in chemistry and material science simulations. However, it can be thousands of times more expensive than…

Computational Physics · Physics 2019-05-07 Weile Jia , Lin-Wang Wang , Lin Lin

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

Numeric modeling of electromagnetics and acoustics frequently entails matrix-vector multiplication with block Toeplitz structure. When the corresponding block Toeplitz matrix is not highly sparse, e.g. when considering the electromagnetic…

Numerical Analysis · Mathematics 2024-06-27 Alexandre Siron , Sean Molesky

The 2-D discrete wavelet transform (DWT) can be found in the heart of many image-processing algorithms. Until recently, several studies have compared the performance of such transform on various shared-memory parallel architectures,…

Performance · Computer Science 2017-05-30 David Barina , Michal Kula , Michal Matysek , Pavel Zemcik

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

We use the well-known observation that the solutions of Jacobi's differential equation can be represented via non-oscillatory phase and amplitude functions to develop a fast algorithm for computing multi-dimensional Jacobi polynomial…

Numerical Analysis · Mathematics 2019-09-13 James Bremer , Qiyuan Pang , Haizhao Yang

Currently, the size of scientific data is growing at an unprecedented rate. Data in the form of tensors exhibit high-order, high-dimensional, and highly sparse features. Although tensor-based analysis methods are very effective, the large…

Distributed, Parallel, and Cluster Computing · Computer Science 2022-10-13 Zixuan Li

The implementation of a full electronic structure calculation code on a hybrid parallel architecture with Graphic Processing Units (GPU) is presented. The code which is on the basis of our implementation is a GNU-GPL code based on…

This paper develops fast graph Fourier transform (GFT) algorithms with O(n log n) runtime complexity for rank-one updates of the path graph. We first show that several commonly-used audio and video coding transforms belong to this class of…

Signal Processing · Electrical Eng. & Systems 2024-09-16 Samuel Fernández-Menduiña , Eduardo Pavez , Antonio Ortega

The special unitary group SU(2) plays a fundamental role in the description of symmetries in quantum mechanics, theoretical physics, and spherical signal processing. In this paper, we address the computational challenges of performing…

Computational Physics · Physics 2026-05-26 Julio Delgado , Alejandro Umaña

In silico materials design is hampered by the computational complexity of Kohn-Sham DFT, which scales cubically with the system size. Owing to the development of new-generation kinetic energy density functionals (KEDFs), orbital-free DFT…

Computational Physics · Physics 2020-08-24 Xuecheng Shao , Kaili Jiang , Wenhui Mi , Alessandro Genova , Michele Pavanello

The quantum Fourier transform for discrete variable (dvQFT) is an efficient algorithm for several applications. It is usually considered for the processing of quantum bits (qubits) and its efficient implementation is obtained with two…

Quantum Physics · Physics 2025-12-16 Gianfranco Cariolaro , Edi Ruffa , Amir Mohammad Yaghoobianzadeh , Jawad A. Salehi

We present a new method for performing global redistributions of multidimensional arrays essential to parallel fast Fourier (or similar) transforms. Traditional methods use standard all-to-all collective communication of contiguous memory…

Distributed, Parallel, and Cluster Computing · Computer Science 2018-04-26 Lisandro Dalcin , Mikael Mortensen , David E Keyes

We present a parallel version of the well-known Split-Step Fourier method (SSF) for solving the Nonlinear Schr\"odinger equation, a mathematical model describing wave packet propagation in fiber optic lines. The algorithm is implemented…

Computational Physics · Physics 2007-05-23 S. M. Zoldi , V. Ruban , A. Zenchuk , S. Burtsev

We present a new library for parallel distributed Fast Fourier Transforms (FFT). The importance of FFT in science and engineering and the advances in high performance computing necessitate further improvements. AccFFT extends existing FFT…

Distributed, Parallel, and Cluster Computing · Computer Science 2016-05-27 Amir Gholami , Judith Hill , Dhairya Malhotra , George Biros

The well-known discrete Fourier transform (DFT) can easily be generalized to arbitrary nodes in the spatial domain. The fast procedure for this generalization is referred to as nonequispaced fast Fourier transform (NFFT). Various…

Numerical Analysis · Mathematics 2025-06-09 Melanie Kircheis , Daniel Potts

This review article was first published in 2008 as chapter 11 in the book "Fast Fourier Transforms," edited by C. S. Burrus, for the Connexions project at Rice University, which is sadly no longer online. It gives a high-level overview of…

Numerical Analysis · Mathematics 2026-03-02 Steven G. Johnson , Matteo Frigo

We present a novel algorithm, named the 2D-FFAST, to compute a sparse 2D-Discrete Fourier Transform (2D-DFT) featuring both low sample complexity and low computational complexity. The proposed algorithm is based on mixed concepts from…

Information Theory · Computer Science 2015-09-22 Frank Ong , Sameer Pawar , Kannan Ramchandran

Many real-world networks are characterized by directionality; however, the absence of an appropriate Fourier basis hinders the effective implementation of graph signal processing techniques. Inspired by discrete signal processing, where…

Information Theory · Computer Science 2024-07-30 Ali Bagheri Bardi , Taher Yazdanpanah , Milos Dakovic , Ljubisa Stankovic
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