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Kernel based methods including Gaussian process regression (GPR) and generally kernel ridge regression (KRR) have been finding increasing use in computational chemistry, including the fitting of potential energy surfaces and density…

Machine Learning · Statistics 2023-01-27 Sergei Manzhos , Manabu Ihara

We derive symmetric and antisymmetric kernels by symmetrizing and antisymmetrizing conventional kernels and analyze their properties. In particular, we compute the feature space dimensions of the resulting polynomial kernels, prove that the…

Quantum Physics · Physics 2021-12-14 Stefan Klus , Patrick Gelß , Feliks Nüske , Frank Noé

We show that sampling or interpolation formulas in reproducing kernel Hilbert spaces can be obtained by reproducing kernels whose dual systems form molecules, ensuring that the size profile of a function is fully reflected by the size…

Functional Analysis · Mathematics 2022-05-04 José Luis Romero , Jordy Timo van Velthoven , Felix Voigtlaender

A nonparametric kernel-based method for realizing Bayes' rule is proposed, based on representations of probabilities in reproducing kernel Hilbert spaces. Probabilities are uniquely characterized by the mean of the canonical map to the…

Machine Learning · Statistics 2011-09-29 Kenji Fukumizu , Le Song , Arthur Gretton

We study infinite weighted graphs with view to \textquotedblleft limits at infinity,\textquotedblright or boundaries at infinity. Examples of such weighted graphs arise in infinite (in practice, that means \textquotedblleft…

Mathematical Physics · Physics 2015-05-13 Palle E. T. Jorgensen

We consider the asymptotic behavior of posterior distributions if the model is misspecified. Given a prior distribution and a random sample from a distribution $P_0$, which may not be in the support of the prior, we show that the posterior…

Statistics Theory · Mathematics 2007-06-13 B. J. K. Kleijn , A. W. van der Vaart

The necessary and sufficient conditions for existence of a generalized representer theorem are presented for learning Hilbert space-valued functions. Representer theorems involving explicit basis functions and Reproducing Kernels are a…

Machine Learning · Computer Science 2018-09-21 Sanket Diwale , Colin Jones

Kernel embeddings have emerged as a powerful tool for representing probability measures in a variety of statistical inference problems. By mapping probability measures into a reproducing kernel Hilbert space (RKHS), kernel embeddings enable…

Machine Learning · Statistics 2024-10-31 Dino Sejdinovic

We study location-scale mixture priors for nonparametric statistical problems, including multivariate regression, density estimation and classification. We show that a rate-adaptive procedure can be obtained if the prior is properly…

Statistics Theory · Mathematics 2012-11-12 R. de Jonge , J. H. van Zanten

This work presents a nonparametric framework for dissipativity learning in reproducing kernel Hilbert spaces, which enables data-driven certification of stability and performance properties for unknown nonlinear systems without requiring an…

Systems and Control · Electrical Eng. & Systems 2025-11-03 Xiuzhen Ye , Wentao Tang

We consider the fractional posterior distribution that is obtained by updating a prior distribution via Bayes theorem with a fractional likelihood function, a usual likelihood function raised to a fractional power. First, we analyze the…

Statistics Theory · Mathematics 2016-11-08 Anirban Bhattacharya , Debdeep Pati , Yun Yang

Bayesian posterior distributions are widely used for inference, but their dependence on a statistical model creates some challenges. In particular, there may be lots of nuisance parameters that require prior distributions and posterior…

Statistics Theory · Mathematics 2023-04-12 Nicholas Syring , Ryan Martin

We generalize the orthonormal basis for the Gaussian RKHS described in \cite{MinhGaussian2010} to an infinite, continuously parametrized, family of orthonormal bases, along with some implications. The proofs are direct generalizations of…

Machine Learning · Statistics 2012-10-24 Minh Ha Quang

We consider Hilbert spaces of analytic functions in the disk with a normalized reproducing kernel and such that the backward shift $f(z) \mapsto \frac{f(z)-f(0)}{z}$ is a contraction on the space. We present a model for this operator and…

Functional Analysis · Mathematics 2019-01-15 Alexandru Aleman , Bartosz Malman

Non-linear latent variable models have become increasingly popular in a variety of applications. However, there has been little study on theoretical properties of these models. In this article, we study rates of posterior contraction in…

Statistics Theory · Mathematics 2017-01-27 Shuang Zhou , Debdeep Pati , Anirban Bhattacharya , David Dunson

In this paper, we extend the correspondence between Bayesian estimation and optimal smoothing in a Reproducing Kernel Hilbert Space (RKHS) adding a convexe constraints on the solution. Through a sequence of approximating Hilbertian spaces…

Numerical Analysis · Mathematics 2021-07-13 X Bay , Laurence Grammont

Bayesian optimisation is a popular technique for hyperparameter learning but typically requires initial exploration even in cases where similar prior tasks have been solved. We propose to transfer information across tasks using learnt…

Machine Learning · Statistics 2019-05-28 Ho Chung Leon Law , Peilin Zhao , Lucian Chan , Junzhou Huang , Dino Sejdinovic

We propose a principled way to define Gaussian process priors on various sets of unweighted graphs: directed or undirected, with or without loops. We endow each of these sets with a geometric structure, inducing the notions of closeness and…

Machine Learning · Statistics 2023-02-28 Viacheslav Borovitskiy , Mohammad Reza Karimi , Vignesh Ram Somnath , Andreas Krause

Due to their conjugate posteriors, Gaussian process priors are attractive for estimating the drift of stochastic differential equations with continuous time observations. However, their performance strongly depends on the choice of the…

Statistics Theory · Mathematics 2020-02-04 Jan van Waaij

Given the reproducing kernel $k$ of the Hilbert space $\mathcal{H}_k$ we study spaces $\mathcal{H}_k(b)$ whose reproducing kernel has the form $k(1-bb^*)$, where $b$ is a row-contraction on $\mathcal{H}_k$. In terms of reproducing kernels…

Functional Analysis · Mathematics 2024-12-17 Alexandru Aleman , Frej Dahlin