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In this work, we present two parallel algorithms for the large-scale discrete Fourier transform (DFT) on Tensor Processing Unit (TPU) clusters. The two parallel algorithms are associated with two formulations of DFT: one is based on the…

Mathematical Software · Computer Science 2020-12-15 Tianjian Lu , Yi-Fan Chen , Blake Hechtman , Tao Wang , John Anderson

The 3D Discrete Fourier Transform (DFT) is a technique used to solve problems in disparate fields. Nowadays, the commonly adopted implementation of the 3D-DFT is derived from the Fast Fourier Transform (FFT) algorithm. However, evidence…

Computational Physics · Physics 2024-07-10 Nitin Malapally , Viacheslav Bolnykh , Estela Suarez , Paolo Carloni , Thomas Lippert , Davide Mandelli

We describe a methodology for designing efficient parallel and distributed scientific software. This methodology utilizes sequences of mechanizable algebra--based optimizing transformations. In this study, we apply our methodology to the…

Software Engineering · Computer Science 2008-11-18 Harry B. Hunt , Lenore R. Mullin , Daniel J. Rosenkrantz , James E. Raynolds

Fourier and related transforms is a family of algorithms widely employed in diverse areas of computational science, notoriously difficult to scale on high-performance parallel computers with large number of processing elements (cores). This…

Distributed, Parallel, and Cluster Computing · Computer Science 2019-05-09 Dmitry Pekurovsky

The fast Fourier transform (FFT) is undoubtedly an essential primitive that has been applied in various fields of science and engineering. In this paper, we present a decomposition method for parallelization of multi-dimensional FFTs with…

Numerical Analysis · Computer Science 2013-02-26 Truong Vinh Truong Duy , Taisuke Ozaki

Discrete cosine transform (DCT) and other Fourier-related transforms have broad applications in scientific computing. However, off-the-shelf high-performance multi-dimensional DCT (MD DCT) libraries are not readily available in parallel…

Distributed, Parallel, and Cluster Computing · Computer Science 2021-10-05 Zixuan Jiang , Jiaqi Gu , David Z. Pan

With tens of petaflops supercomputers already in operation and exaflops machines expected to appear within the next 10 years, efficient parallel computational methods are required to take advantage of such extreme-scale machines. In this…

Materials Science · Physics 2012-11-13 Truong Vinh Truong Duy , Taisuke Ozaki

The Fast Fourier Transform (FFT) is a fundamental numerical technique with widespread application in a range of scientific problems. As scientific simulations attempt to exploit exascale systems, there has been a growing demand for…

Distributed, Parallel, and Cluster Computing · Computer Science 2026-01-21 Sana Taghipour Anvari , Julian Samaroo , Matin Raayai Ardakani , David Kaeli

Finite-element (FE) discretisations have emerged as a powerful real-space alternative to large-scale Kohn-Sham density functional theory (DFT) calculations, offering systematic convergence, excellent parallel scalability, while…

Computational Physics · Physics 2025-12-11 Gourab Panigrahi , Phani Motamarri

Density Functional Theory (DFT) is widely used for atomistic simulations. However, its reach stays limited due to several limitations such as lack of accurate exchange-correlation functional, requirement of costly O(N 3) diagonalization…

Quantum Physics · Physics 2026-05-18 Namrata Manglani , Samrit Kumar Maity , Shashank Sharma , Soham Phulare , Sanjay Wandhekar

The one-dimensional (1D) fractional Fourier transform (FRFT) generalizes the Fourier transform, offering significant advantages in the time-frequency analysis of non-stationary signals. While various 2D extensions exist, such as the 2D…

Signal Processing · Electrical Eng. & Systems 2026-03-03 Daxiang Li , Zhichao Zhang , Wei Yao

We present a parallel algorithm for the fast Fourier transform (FFT) in higher dimensions. This algorithm generalizes the cyclic-to-cyclic one-dimensional parallel algorithm to a cyclic-to-cyclic multidimensional parallel algorithm while…

Distributed, Parallel, and Cluster Computing · Computer Science 2023-12-12 Thomas Koopman , Rob H. Bisseling

The FFT of three-dimensional (3D) input data is an important computational kernel of numerical simulations and is widely used in High Performance Computing (HPC) codes running on a large number of processors. Performance of many scientific…

Distributed, Parallel, and Cluster Computing · Computer Science 2020-08-28 Vivek Gavane , Supriya Prabhugawankar , Shivam Garg , Archana Achalere , Rajendra Joshi

As safety-critical applications increasingly rely on data-parallel floating-point computations, there is an increasing need for flexible and configurable fault tolerance in parallel floating-point accelerators such as tensor engines. While…

Hardware Architecture · Computer Science 2025-04-22 Philip Wiese , Maurus Item , Luca Bertaccini , Yvan Tortorella , Angelo Garofalo , Luca Benini

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

The Discrete Fourier Transform (DFT) is a fundamental computational primitive, and the fastest known algorithm for computing the DFT is the FFT (Fast Fourier Transform) algorithm. One remarkable feature of FFT is the fact that its runtime…

Data Structures and Algorithms · Computer Science 2019-02-28 Michael Kapralov , Ameya Velingker , Amir Zandieh

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

The scaling of large language models (LLMs) is currently bottlenecked by the rigidity of distributed programming. While high-performance libraries like CuBLAS and NCCL provide optimized primitives, they lack the flexibility required for…

Discrete transforms such as the discrete Fourier transform (DFT) or the discrete Hartley transform (DHT) furnish an indispensable tool in signal processing. The successful application of transform techniques relies on the existence of the…

Data Structures and Algorithms · Computer Science 2015-08-27 H. M. de Oliveira , R. J. Cintra , R. M. Campello de Souza

We present an accurate, efficient and massively parallel finite-element code, DFT-FE, for large-scale ab-initio calculations (reaching $\sim 100,000$ electrons) using Kohn-Sham density functional theory (DFT). DFT-FE is based on a local…

Computational Physics · Physics 2020-01-08 Phani Motamarri , Sambit Das , Shiva Rudraraju , Krishnendu Ghosh , Denis Davydov , Vikram Gavini
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