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The purpose of this review is to introduce the reader to graph kernels and the corresponding literature, with an emphasis on those with direct application to chemoinformatics. Graph kernels are functions that allow for the inference of…

Machine Learning · Statistics 2022-08-29 James Young

We investigate a series of learning kernel problems with polynomial combinations of base kernels, which will help us solve regression and classification problems. We also perform some numerical experiments of polynomial kernels with…

Machine Learning · Computer Science 2017-12-27 Chen Li , Luca Venturi , Ruitu Xu

In data science, individual observations are often assumed to come independently from an underlying probability space. Kernel matrices formed from large sets of such observations arise frequently, for example during classification tasks. It…

Machine Learning · Statistics 2026-05-27 Mikhail Lepilov

There is growing body of learning problems for which it is natural to organize the parameters into matrix, so as to appropriately regularize the parameters under some matrix norm (in order to impose some more sophisticated prior knowledge).…

Machine Learning · Computer Science 2010-10-19 Sham M. Kakade , Shai Shalev-Shwartz , Ambuj Tewari

In this paper, a new two-parameter family of regularized kernels is introduced, suitable for applying high-order time stepping to N-body systems. These high-order kernels are derived by truncating a Taylor expansion of the non-regularized…

Numerical Analysis · Mathematics 2017-01-09 Benjamin Ong , Andrew Christlieb , Bryan Quaife

Support vector machines and kernel methods are increasingly popular in genomics and computational biology, due to their good performance in real-world applications and strong modularity that makes them suitable to a wide range of problems,…

Quantitative Methods · Quantitative Biology 2007-05-23 Jean-Philippe Vert

There have been increasing interests on the Volterra series identification with the kernel-based regularization method. The major difficulties are on the kernel design and efficiency of the corresponding implementation. In this paper, we…

Systems and Control · Electrical Eng. & Systems 2025-05-28 Yu Xu , Biqiang Mu , Tianshi Chen

A new goodness-of-fit test for normality in high-dimension (and Reproducing Kernel Hilbert Space) is proposed. It shares common ideas with the Maximum Mean Discrepancy (MMD) it outperforms both in terms of computation time and applicability…

Statistics Theory · Mathematics 2014-04-14 Jérémie Kellner , Alain Celisse

In this paper, we propose an outlier-robust regularized kernel-based method for linear system identification. The unknown impulse response is modeled as a zero-mean Gaussian process whose covariance (kernel) is given by the recently…

Machine Learning · Statistics 2013-12-25 Giulio Bottegal , Aleksandr Y. Aravkin , Hakan Hjalmarsson , Gianluigi Pillonetto

Kernel density estimation is a convenient way to estimate the probability density of a distribution given the sample of data points. However, it has certain drawbacks: proper description of the density using narrow kernels needs large data…

Data Analysis, Statistics and Probability · Physics 2015-02-27 Anton Poluektov

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

Inspired by ideas taken from the machine learning literature, new regularization techniques have been recently introduced in linear system identification. In particular, all the adopted estimators solve a regularized least squares problem,…

Systems and Control · Computer Science 2015-07-03 Gianluigi Pillonetto , Tianshi Chen , Alessandro Chiuso , Giuseppe De Nicolao , Lennart Ljung

We study representations of positive definite kernels $K$ in a general setting, but with view to applications to harmonic analysis, to metric geometry, and to realizations of certain stochastic processes. Our initial results are stated for…

Functional Analysis · Mathematics 2017-06-30 Palle Jorgensen , Feng Tian

In this paper, we study the problem of identifying the impulse response of a linear time invariant (LTI) dynamical system from the knowledge of the input signal and a finite set of noisy output observations. We adopt an approach based on…

Systems and Control · Computer Science 2015-03-20 Francesco Dinuzzo

We present a novel framework for kernel learning with sequential data of any kind, such as time series, sequences of graphs, or strings. Our approach is based on signature features which can be seen as an ordered variant of sample…

Machine Learning · Statistics 2016-02-01 Franz J Király , Harald Oberhauser

Support Vector Machines (SVMs) are powerful learners that have led to state-of-the-art results in various computer vision problems. SVMs suffer from various drawbacks in terms of selecting the right kernel, which depends on the image…

Computer Vision and Pattern Recognition · Computer Science 2014-03-31 Gemma Roig , Xavier Boix , Luc Van Gool

Estimating the ratio of two probability densities from finitely many samples, is a central task in machine learning and statistics. In this work, we show that a large class of kernel methods for density ratio estimation suffers from error…

Machine Learning · Computer Science 2024-06-04 Lukas Gruber , Markus Holzleitner , Johannes Lehner , Sepp Hochreiter , Werner Zellinger

Strictly proper kernel scores are well-known tool in probabilistic forecasting, while characteristic kernels have been extensively investigated in the machine learning literature. We first show that both notions coincide, so that insights…

Functional Analysis · Mathematics 2017-12-15 Ingo Steinwart , Johanna F. Ziegel

A commonly used paradigm for representing graphs is to use a vector that contains normalized frequencies of occurrence of certain motifs or sub-graphs. This vector representation can be used in a variety of applications, such as, for…

Machine Learning · Computer Science 2014-03-05 Pinar Yanardag , S. V. N. Vishwanathan

We propose a vector-valued regression problem whose solution is equivalent to the reproducing kernel Hilbert space (RKHS) embedding of the Bayesian posterior distribution. This equivalence provides a new understanding of kernel Bayesian…

Machine Learning · Statistics 2016-10-27 Yang Song , Jun Zhu , Yong Ren