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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

Selecting an appropriate kernel is a central challenge in kernel-based spectral methods. In \emph{Kernelized Diffusion Maps} (KDM), the kernel determines the accuracy of the RKHS estimator of a diffusion-type operator and hence the quality…

Machine Learning · Statistics 2026-04-21 Othmane Aboussaad , Adam Miraoui , Boumediene Hamzi , Houman Owhadi

Photonic computing has emerged as a promising platform for accelerating computational tasks with high degrees of parallelism, such as image processing and neural network. We present meta-DFT (discrete Fourier transform), a single layer…

This work proposes a mixed learning-based and optimization-based approach to the weighted-sum-rates beamforming problem in a multiple-input multiple-output (MIMO) wireless network. The conventional methods, i.e., the fractional programming…

Information Theory · Computer Science 2026-01-07 Jianhang Zhu , Tsung-Hui Chang , Liyao Xiang , Kaiming Shen

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

This paper shows that it is possible to improve the computational cost, the memory requirements and the accuracy of Quick Fourier Transform (QFT) algorithm for power-of-two FFT (Fast Fourier Transform) just introducing a slight modification…

Data Structures and Algorithms · Computer Science 2013-01-07 Lorenzo Pasquini

Under the frequency domain framework for weakly dependent functional time series, a key element is the spectral density kernel which encapsulates the second-order dynamics of the process. We propose a class of spectral density kernel…

Statistics Theory · Mathematics 2018-12-11 Tingyi Zhu , Dimitris N. Politis

Nonuniformly sampled signals are prevalent in real-world applications. However, estimating their power spectra from finite samples poses a significant challenge. The optimal solution-Bronez Generalized Prolate Spheroidal Sequence (GPSS) by…

Signal Processing · Electrical Eng. & Systems 2025-12-24 Jie Cui , Benjamin H. Brinkmann , Gregory A. Worrell

The computational efficiency and rapid convergence of fast Fourier transform (FFT)-based solvers render them a powerful numerical tool for periodic cell problems in multiscale modeling. On regular grids, they tend to outperform traditional…

Numerical Analysis · Mathematics 2026-02-18 Martin Ladecký , Ivana Pultarová , François Bignonnet , Indre Jödicke , Jan Zeman , Lars Pastewka

Fast Fourier Transform (FFT) libraries are widely used for evaluating discrete convolutions. Most FFT implementations follow some variant of the Cooley-Tukey framework, in which the transform is decomposed into butterfly operations and…

Numerical Analysis · Mathematics 2026-04-30 Nicolas Venkovic , Hartwig Anzt

This tutorial provides a gentle introduction to kernel density estimation (KDE) and recent advances regarding confidence bands and geometric/topological features. We begin with a discussion of basic properties of KDE: the convergence rate…

Methodology · Statistics 2017-09-13 Yen-Chi Chen

Conventional inversion of the discrete Fourier transform (DFT) requires all DFT coefficients to be known. When the DFT coefficients of a rasterized image (represented as a matrix) are known only within a pass band, the original matrix…

Numerical Analysis · Mathematics 2023-09-07 Howard W. Levinson , Vadim A. Markel , Nicholas Triantafillou

Transmission matrix (TM) linearly maps the incident and transmitted complex fields, and has been used widely due to its ability to characterize scattering media. It is computationally demanding to reconstruct the TM from intensity images…

Optics · Physics 2024-01-05 Jingshan Zhong , Zhong Wen , Quanzhi Li , Qilin Deng , Qing Yang

We present a new version of the fast Gauss transform (FGT) for discrete and continuous sources. Classical Hermite expansions are avoided entirely, making use only of the plane-wave representation of the Gaussian kernel and a new…

Numerical Analysis · Mathematics 2023-05-15 Leslie Greengard , Shidong Jiang , Manas Rachh , Jun Wang

An important feature of kernel mean embeddings (KME) is that the rate of convergence of the empirical KME to the true distribution KME can be bounded independently of the dimension of the space, properties of the distribution and smoothness…

Statistics Theory · Mathematics 2025-04-17 Geoffrey Wolfer , Pierre Alquier

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 use of integral equation methods for the efficient numerical solution of PDE boundary value problems requires two main tools: quadrature rules for the evaluation of layer potential integral operators with singular kernels, and fast…

Numerical Analysis · Mathematics 2017-06-28 Manas Rachh , Andreas Klöckner , Michael O'Neil

Kernel methods represent one of the most powerful tools in machine learning to tackle problems expressed in terms of function values and derivatives due to their capability to represent and model complex relations. While these methods show…

Statistics Theory · Mathematics 2015-11-06 Bharath K. Sriperumbudur , Zoltan Szabo

This paper develops a constructive numerical scheme for Fourier-Bessel approximations on disks compatible with convolutions supported on disks. We address accurate finite Fourier-Bessel transforms (FFBT) and inverse finite Fourier-Bessel…

Numerical Analysis · Mathematics 2023-11-08 Arash Ghaani Farashahi , Gregory S. Chirikjian

Convolution models with long filters have demonstrated state-of-the-art reasoning abilities in many long-sequence tasks but lag behind the most optimized Transformers in wall-clock time. A major bottleneck is the Fast Fourier Transform…

Machine Learning · Computer Science 2023-11-13 Daniel Y. Fu , Hermann Kumbong , Eric Nguyen , Christopher Ré