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Kernel methods are a highly effective and widely used collection of modern machine learning algorithms. A fundamental limitation of virtually all such methods are computations involving the kernel matrix that naively scale quadratically…

Machine Learning · Computer Science 2021-06-09 John Paul Ryan , Sebastian Ament , Carla P. Gomes , Anil Damle

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

We introduce a fast algorithm for Gaussian process regression in low dimensions, applicable to a widely-used family of non-stationary kernels. The non-stationarity of these kernels is induced by arbitrary spatially-varying vertical and…

Numerical Analysis · Mathematics 2025-03-28 P. Michael Kielstra , Michael Lindsey

Gaussian processes (GPs) are crucial in machine learning for quantifying uncertainty in predictions. However, their associated covariance matrices, defined by kernel functions, are typically dense and large-scale, posing significant…

Machine Learning · Computer Science 2025-04-02 Theresa Wagner , Tianshi Xu , Franziska Nestler , Yuanzhe Xi , Martin Stoll

A Gaussian process (GP) is a powerful and widely used regression technique. The main building block of a GP regression is the covariance kernel, which characterizes the relationship between pairs in the random field. The optimization to…

Numerical Analysis · Mathematics 2022-01-05 Vahid Keshavarzzadeh , Shandian Zhe , Robert M. Kirby , Akil Narayan

Fast Fourier transform (FFT) based methods have turned out to be an effective computational approach for numerical homogenisation. In particular, Fourier-Galerkin methods are computational methods for partial differential equations that are…

Numerical Analysis · Mathematics 2020-04-22 Jaroslav Vondřejc , Dishi Liu , Martin Ladecký , Hermann G. Matthies

One of the main computational bottlenecks when working with kernel based learning is dealing with the large and typically dense kernel matrix. Techniques dealing with fast approximations of the matrix vector product for these kernel…

Machine Learning · Computer Science 2024-04-29 Theresa Wagner , Franziska Nestler , Martin Stoll

We introduce a Fourier-based fast algorithm for Gaussian process regression in low dimensions. It approximates a translationally-invariant covariance kernel by complex exponentials on an equispaced Cartesian frequency grid of $M$ nodes.…

Computation · Statistics 2023-05-19 Philip Greengard , Manas Rachh , Alex Barnett

Filtering of digital signals is accomplished on an Excel spreadsheet using fast Fourier transform (FFT) convolution in which the kernel is either a Gaussian or a cosine modulated Gaussian. Pedagogical examples of low-pass and band-pass…

General Physics · Physics 2007-05-23 Randall D. Peters

In this article we present an algorithm to efficiently evaluate the exchange matrix in periodic systems when Gaussian basis set with pseudopotentials are used. The usual algorithm for evaluating exchange matrix scales cubically with the…

Strongly Correlated Electrons · Physics 2022-11-11 Sandeep Sharma , Alec F. White , Gregory Beylkin

Feature transformation plays a critical role in enhancing machine learning model performance by optimizing data representations. Recent state-of-the-art approaches address this task as a continuous embedding optimization problem, converting…

Machine Learning · Computer Science 2025-08-29 Yang Gao , Dongjie Wang , Scott Piersall , Ye Zhang , Liqiang Wang

For smooth finite fields $F_q$ (i.e., when $q-1$ factors into small primes) the Fast Fourier Transform (FFT) leads to the fastest known algebraic algorithms for many basic polynomial operations, such as multiplication, division,…

Data Structures and Algorithms · Computer Science 2021-10-13 Eli Ben-Sasson , Dan Carmon , Swastik Kopparty , David Levit

Motivated by the problem of fast processing of attention matrices, we study fast algorithms for computing matrix-vector products for asymmetric Gaussian Kernel matrices $K\in \mathbb{R}^{n\times n}$. $K$'s columns are indexed by a set of…

Machine Learning · Computer Science 2025-08-01 Piotr Indyk , Michael Kapralov , Kshiteej Sheth , Tal Wagner

Gaussian process (GP) regression is a powerful probabilistic modeling technique with built-in uncertainty quantification. When one has access to multiple correlated simulations (tasks), it is common to fit a multitask GP (MTGP) surrogate…

Computation · Statistics 2026-03-18 Aleksei G. Sorokin , Pieterjan Robbe , Fred J. Hickernell

In batch Kernel Density Estimation (KDE) for a kernel function $f$, we are given as input $2n$ points $x^{(1)}, \cdots, x^{(n)}, y^{(1)}, \cdots, y^{(n)}$ in dimension $m$, as well as a vector $v \in \mathbb{R}^n$. These inputs implicitly…

Data Structures and Algorithms · Computer Science 2024-07-03 Josh Alman , Yunfeng Guan

We study fast algorithms for computing fundamental properties of a positive semidefinite kernel matrix $K \in \mathbb{R}^{n \times n}$ corresponding to $n$ points $x_1,\ldots,x_n \in \mathbb{R}^d$. In particular, we consider estimating the…

Data Structures and Algorithms · Computer Science 2021-06-21 Arturs Backurs , Piotr Indyk , Cameron Musco , Tal Wagner

We introduce a new class of multilevel, adaptive, dual-space methods for computing fast convolutional transforms. These methods can be applied to a broad class of kernels, from the Green's functions for classical partial differential…

Numerical Analysis · Mathematics 2023-09-12 Shidong Jiang , Leslie Greengard

Feature Transformation is crucial for classic machine learning that aims to generate feature combinations to enhance the performance of downstream tasks from a data-centric perspective. Current methodologies, such as manual expert-driven…

Machine Learning · Computer Science 2025-03-27 Tianqi He , Xiaohan Huang , Yi Du , Qingqing Long , Ziyue Qiao , Min Wu , Yanjie Fu , Yuanchun Zhou , Meng Xiao

A geometric graph associated with a set of points $P= \{x_1, x_2, \cdots, x_n \} \subset \mathbb{R}^d$ and a fixed kernel function $\mathsf{K}:\mathbb{R}^d\times \mathbb{R}^d\to\mathbb{R}_{\geq 0}$ is a complete graph on $P$ such that the…

Data Structures and Algorithms · Computer Science 2026-03-05 Yang Cao , Yichuan Deng , Wenyu Jin , Xiaoyu Li , Zhao Song , Xiaorui Sun , Omri Weinstein

This work builds upon previous efforts in online incremental learning, namely the Incremental Gaussian Mixture Network (IGMN). The IGMN is capable of learning from data streams in a single-pass by improving its model after analyzing each…

Machine Learning · Computer Science 2017-02-08 Rafael Pinto , Paulo Engel
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