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We propose a new method for input variable selection in nonlinear regression. The method is embedded into a kernel regression machine that can model general nonlinear functions, not being a priori limited to additive models. This is the…

Machine Learning · Computer Science 2018-09-05 Magda Gregorová , Jason Ramapuram , Alexandros Kalousis , Stéphane Marchand-Maillet

Choosing the most adequate kernel is crucial in many Machine Learning applications. Gaussian Process is a state-of-the-art technique for regression and classification that heavily relies on a kernel function. However, in the Gaussian…

Machine Learning · Computer Science 2019-10-15 Ibai Roman , Roberto Santana , Alexander Mendiburu , Jose A. Lozano

In this abstract paper, we introduce a new kernel learning method by a nonparametric density estimator. The estimator consists of a group of k-centroids clusterings. Each clustering randomly selects data points with randomly selected…

Machine Learning · Computer Science 2017-08-02 Xiao-Lei Zhang

Gaussian processes (GPs) are ubiquitous tools for modeling and predicting continuous processes in physical and engineering sciences. This is partly due to the fact that one may employ a Gaussian process as an interpolator while facilitating…

Statistics Theory · Mathematics 2025-12-16 D. Andrew Brown , Peter Kiessler , John Nicholson

Gaussian processes provide a powerful probabilistic kernel learning framework, which allows learning high quality nonparametric regression models via methods such as Gaussian process regression. Nevertheless, the learning phase of Gaussian…

Numerical Analysis · Mathematics 2021-01-06 Paz Fink Shustin , Haim Avron

A device called a 'Gaussian Boson Sampler' has initially been proposed as a near-term demonstration of classically intractable quantum computation. As recently shown, it can also be used to decide whether two graphs are isomorphic. Based on…

Quantum Physics · Physics 2020-03-18 Maria Schuld , Kamil Brádler , Robert Israel , Daiqin Su , Brajesh Gupt

The use of kernels for nonlinear prediction is widespread in machine learning. They have been popularized in support vector machines and used in kernel ridge regression, amongst others. Kernel methods share three aspects. First, instead of…

Machine Learning · Statistics 2025-08-25 Patrick J. F. Groenen , Michael Greenacre

The high efficiency of a recently proposed method for computing with Gaussian processes relies on expanding a (translationally invariant) covariance kernel into complex exponentials, with frequencies lying on a Cartesian equispaced grid.…

Numerical Analysis · Mathematics 2023-05-19 Alex Barnett , Philip Greengard , Manas Rachh

Autonomous materials science, where active learning is used to navigate large compositional phase space, has emerged as a powerful vehicle to rapidly explore new materials. A crucial aspect of autonomous materials science is exploring new…

Materials Science · Physics 2026-01-21 Felix Adams , Daiwei Zhu , David W. Steuerman , A. Gilad Kusne , Ichiro Takeuchi

Gaussian Process regression is a kernel method successfully adopted in many real-life applications. Recently, there is a growing interest on extending this method to non-Euclidean input spaces, like the one considered in this paper,…

Machine Learning · Computer Science 2022-12-05 Antonio Candelieri , Andrea Ponti , Francesco Archetti

Computer experiments involving both qualitative and quantitative (QQ) factors have attracted increasing attention. Gaussian process (GP) models have proven effective in this context by choosing specialized covariance functions for QQ…

Methodology · Statistics 2026-02-19 Linsui Deng , C. F. Jeff Wu

Time series are an interesting frontier for kernel-based methods, for the simple reason that there is no kernel designed to represent them and their unique characteristics in full generality. Existing sequential kernels ignore the time…

Machine Learning · Statistics 2020-04-21 Ahmed Guecioueur , Franz J. Király

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

Quantum kernel methods (QKMs) have emerged as a prominent framework for supervised quantum machine learning. Unlike variational quantum algorithms, which rely on gradient-based optimisation and may suffer from issues such as barren…

Quantum Physics · Physics 2026-04-10 John Tanner , Chon-Fai Kam , Jingbo Wang

The generalization properties of Gaussian processes depend heavily on the choice of kernel, and this choice remains a dark art. We present the Neural Kernel Network (NKN), a flexible family of kernels represented by a neural network. The…

Machine Learning · Computer Science 2018-08-07 Shengyang Sun , Guodong Zhang , Chaoqi Wang , Wenyuan Zeng , Jiaman Li , Roger Grosse

Multivariate spatial-statistical models are often used when modeling environmental and socio-demographic processes. The most commonly used models for multivariate spatial covariances assume both stationarity and symmetry for the…

Methodology · Statistics 2021-05-11 Quan Vu , Andrew Zammit-Mangion , Noel Cressie

This paper addresses distributed learning of a complex object for multiple networked robots based on distributed optimization and kernel-based support vector machine. In order to overcome a fundamental limitation of polynomial kernels…

Robotics · Computer Science 2024-12-17 Toshiyuki Oshima , Junya Yamauchi , Tatsuya Ibuki , Michio Seto , Takeshi Hatanaka

Gaussian processes (GPs) provide a principled and direct approach for inference and learning on graphs. However, the lack of justified graph kernels for spatio-temporal modelling has held back their use in graph problems. We leverage an…

Machine Learning · Computer Science 2024-12-30 Alexander Nikitin , ST John , Arno Solin , Samuel Kaski

The popular qubit framework has dominated recent work on quantum kernel machine learning, with results characterising expressivity, learnability and generalisation. As yet, there is no comparative framework to understand these concepts for…

Quantum Physics · Physics 2024-12-18 Laura J. Henderson , Rishi Goel , Sally Shrapnel

In this paper, we show that a suitably chosen covariance function of a continuous time, second order stationary stochastic process can be viewed as a symmetric higher order kernel. This leads to the construction of a higher order kernel by…

Statistics Theory · Mathematics 2020-01-22 Soumya Das , Subhajit Dutta , Radhenduhska Srivastava