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Optimal margin Distribution Machine (ODM) is a newly proposed statistical learning framework rooting in the novel margin theory, which demonstrates better generalization performance than the traditional large margin based counterparts.…

Machine Learning · Computer Science 2023-06-13 Yilin Wang , Nan Cao , Teng Zhang , Xuanhua Shi , Hai Jin

Machine learning of kinetic energy functionals (KEF), in particular kinetic energy density (KED) functionals, has recently attracted attention as a promising way to construct KEFs for orbital-free density functional theory (OF-DFT). Neural…

Materials Science · Physics 2025-08-11 Sergei Manzhos , Johann Lüder , Manabu Ihara

A kernel-based method (kernelized minimal distributed charge model - kMDCM) to represent the molecular electrostatic potential (ESP) in terms of off-center point charges whose positions adapts to the molecular geometry. Using Gaussian…

Chemical Physics · Physics 2024-06-04 Eric Boittier , Kai Töpfer , Mike Devereux , Markus Meuwly

We consider bandwidth matrix selection for kernel density estimators (KDEs) of density level sets in $\mathbb{R}^d$, $d \ge 2$. We also consider estimation of highest density regions, which differs from estimating level sets in that one…

Methodology · Statistics 2018-10-26 Charles R. Doss , Guangwei Weng

Kernel density estimation, a.k.a. Parzen windows, is a popular density estimation method, which can be used for outlier detection or clustering. With multivariate data, its performance is heavily reliant on the metric used within the…

Machine Learning · Computer Science 2012-12-11 Nicolas Le Roux , Francis Bach

This paper presents new methodology for computationally efficient kernel density estimation. It is shown that a large class of kernels allows for exact evaluation of the density estimates using simple recursions. The same methodology can be…

Computation · Statistics 2019-11-12 David P. Hofmeyr

We develop a new framework for estimating joint probability distributions using tensor product reproducing kernel Hilbert spaces (RKHS). Our framework accommodates a low-dimensional, normalized and positive model of a Radon--Nikodym…

Machine Learning · Statistics 2024-09-25 Damir Filipovic , Michael Multerer , Paul Schneider

We consider Markov models of stochastic processes where the next-step conditional distribution is defined by a kernel density estimator (KDE), similar to Markov forecast densities and certain time-series bootstrap schemes. The KDE Markov…

Machine Learning · Computer Science 2018-07-31 Gustav Eje Henter , Arne Leijon , W. Bastiaan Kleijn

We propose and study kernel conjugate gradient methods (KCGM) with random projections for least-squares regression over a separable Hilbert space. Considering two types of random projections generated by randomized sketches and Nystr\"{o}m…

Machine Learning · Statistics 2022-07-18 Junhong Lin , Volkan Cevher

Modern large-scale kernel-based tests such as maximum mean discrepancy (MMD) and kernelized Stein discrepancy (KSD) optimize kernel hyperparameters on a held-out sample via data splitting to obtain the most powerful test statistics. While…

Machine Learning · Computer Science 2020-10-20 Jonas M. Kübler , Wittawat Jitkrittum , Bernhard Schölkopf , Krikamol Muandet

Quantum machine learning (QML) is the spearhead of quantum computer applications. In particular, quantum neural networks (QNN) are actively studied as the method that works both in near-term quantum computers and fault-tolerant quantum…

Quantum Physics · Physics 2022-09-07 Kouhei Nakaji , Hiroyuki Tezuka , Naoki Yamamoto

Random projections have proven extremely useful in many signal processing and machine learning applications. However, they often require either to store a very large random matrix, or to use a different, structured matrix to reduce the…

Emerging Technologies · Computer Science 2016-08-26 Alaa Saade , Francesco Caltagirone , Igor Carron , Laurent Daudet , Angélique Drémeau , Sylvain Gigan , Florent Krzakala

We introduce an alternative method for the calculation of sky maps from data taken with gamma-ray telescopes. In contrast to the established method of smoothing the 2D histogram of reconstructed event directions with a static kernel, we…

High Energy Astrophysical Phenomena · Physics 2024-01-30 M. Holler , T. Mitterdorfer , S. Panny

We propose a class of kernel-based two-sample tests, which aim to determine whether two sets of samples are drawn from the same distribution. Our tests are constructed from kernels parameterized by deep neural nets, trained to maximize test…

Machine Learning · Statistics 2021-01-15 Feng Liu , Wenkai Xu , Jie Lu , Guangquan Zhang , Arthur Gretton , Danica J. Sutherland

Kernel-based tests provide a simple yet effective framework that use the theory of reproducing kernel Hilbert spaces to design non-parametric testing procedures. In this paper we propose new theoretical tools that can be used to study the…

Statistics Theory · Mathematics 2022-09-02 Tamara Fernández , Nicolás Rivera

When nonlinear measures are estimated from sampled temporal signals with finite-length, a radius parameter must be carefully selected to avoid a poor estimation. These measures are generally derived from the correlation integral which…

Methodology · Statistics 2024-01-09 Johan Medrano , Abderrahmane Kheddar , Annick Lesne , Sofiane Ramdani

In the last decade, a considerable research effort has been devoted to developing adaptive algorithms based on kernel functions. One of the main features of these algorithms is that they form a family of universal approximation techniques,…

Signal Processing · Electrical Eng. & Systems 2018-08-21 A. Flores , R. C. de Lamare

Kernel methods are a popular class of nonlinear predictive models in machine learning. Scalable algorithms for learning kernel models need to be iterative in nature, but convergence can be slow due to poor conditioning. Spectral…

Machine Learning · Statistics 2024-01-26 Amirhesam Abedsoltan , Parthe Pandit , Luis Rademacher , Mikhail Belkin

The main objective of the Multiple Kernel k-Means (MKKM) algorithm is to extract non-linear information and achieve optimal clustering by optimizing base kernel matrices. Current methods enhance information diversity and reduce redundancy…

Machine Learning · Computer Science 2024-03-07 Rina Su , Yu Guo , Caiying Wu , Qiyu Jin , Tieyong Zeng

Hidden Markov models and their variants are the predominant sequential classification method in such domains as speech recognition, bioinformatics and natural language processing. Being generative rather than discriminative models, however,…

Machine Learning · Statistics 2013-02-18 John A. Quinn , Masashi Sugiyama
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