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The dominant paradigm in computational materials discovery relies on heavily parameterized deep architectures, including message-passing graph networks and equivariant models, that require millions of DFT-labeled training structures and…

Materials Science · Physics 2026-05-19 Pranoy Ray , Surya R. Kalidindi

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 consider finite approximations of a fractal generated by an iterated function system of affine transformations on $\mathbb{R}^d$ as a discrete set of data points. Considering a signal supported on this finite approximation, we propose a…

Functional Analysis · Mathematics 2016-07-14 Calvin Hotchkiss , Eric S. Weber

This paper introduces a factorization for the inverse of discrete Fourier integral operators that can be applied in quasi-linear time. The factorization starts by approximating the operator with the butterfly factorization. Next, a…

Numerical Analysis · Mathematics 2021-09-15 Jordi Feliu-Fabà , Lexing Ying

Deep Learning-based Computer Vision field has recently been trying to explore larger kernels for convolution to effectively scale up Convolutional Neural Networks. Simultaneously, new paradigm of models such as Vision Transformers find it…

Computer Vision and Pattern Recognition · Computer Science 2023-02-24 Siddharth Agrawal

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…

Many theories of deep learning have shown that a deep network can require dramatically fewer resources to represent a given function compared to a shallow network. But a question remains: can these efficient representations be learned using…

Machine Learning · Computer Science 2018-07-18 Maxwell Nye , Andrew Saxe

The convolution potential arises in a wide variety of application areas, and its efficient and accurate evaluation encounters three challenges: singularity, nonlocality and anisotropy. We introduce a fast algorithm based on a far-field…

Numerical Analysis · Mathematics 2025-04-29 Xin Liu , Yong Zhang

We present two fast algorithms for matrix-vector multiplication $y=Ax$, where $A$ is a Hankel matrix. The current asymptotically fastest method is based on the Fast Fourier Transform (FFT), however in multiprecision arithmetics with very…

Numerical Analysis · Mathematics 2014-03-25 Gleb Beliakov

Neural networks have proven effective at solving difficult problems but designing their architectures can be challenging, even for image classification problems alone. Our goal is to minimize human participation, so we employ evolutionary…

Neural and Evolutionary Computing · Computer Science 2017-06-13 Esteban Real , Sherry Moore , Andrew Selle , Saurabh Saxena , Yutaka Leon Suematsu , Jie Tan , Quoc Le , Alex Kurakin

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

Phase retrieval, a nonlinear problem prevalent in imaging applications, has been extensively studied using random models, some of which with i.i.d. sensing matrix components. While these models offer robust reconstruction guarantees, they…

Optics · Physics 2024-09-10 Zhiyuan Hu , Julián Tachella , Michael Unser , Jonathan Dong

The rapid development of the Transformer-based Large Language Models (LLMs) in recent years has been closely linked to their ever-growing and already enormous sizes. Many LLMs contain hundreds of billions of parameters and require dedicated…

Computation and Language · Computer Science 2025-02-26 Mahsa Salmani , Ilya Soloveychik

We describe an algorithm for the application of the forward and inverse spherical harmonic transforms. It is based on a new method for rapidly computing the forward and inverse associated Legendre transforms by hierarchically applying the…

Numerical Analysis · Mathematics 2021-08-31 James Bremer , Ze Chen , Haizhao Yang

The bottleneck of micromagnetic simulations is the computation of the long-ranged magnetostatic fields. This can be tackled on regular N-node grids with Fast Fourier Transforms in time N logN, whereas the geometrically more versatile finite…

Materials Science · Physics 2008-10-04 Evaggelos Kritsikis , Jean-Christophe Toussaint , Olivier Fruchart

The Fourier Transform is one of the most important linear transformations used in science and engineering. Cooley and Tukey's Fast Fourier Transform (FFT) from 1964 is a method for computing this transformation in time $O(n\log n)$. From a…

Computational Complexity · Computer Science 2019-07-18 Nir Ailon

Fast convolution algorithms, including Winograd and FFT, can efficiently accelerate convolution operations in deep models. However, these algorithms depend on high-precision arithmetic to maintain inference accuracy, which conflicts with…

Machine Learning · Computer Science 2024-07-04 Liulu He , Yufei Zhao , Rui Gao , Yuan Du , Li Du

We present a very fast algorithm for general matrix factorization of a data matrix for use in the statistical analysis of high-dimensional data via latent factors. Such data are prevalent across many application areas and generate an…

We consider the task of building compact deep learning pipelines suitable for deployment on storage and power constrained mobile devices. We propose a unified framework to learn a broad family of structured parameter matrices that are…

Machine Learning · Statistics 2015-10-07 Vikas Sindhwani , Tara N. Sainath , Sanjiv Kumar

Fast algorithms for integer and polynomial multiplication play an important role in scientific computing as well as in other disciplines. In 1971, Sch{\"o}nhage and Strassen designed an algorithm that improved the multiplication time for…

Symbolic Computation · Computer Science 2018-11-06 Sviatoslav Covanov , Davood Mohajerani , Marc Moreno-Maza , Lin-Xiao Wang
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