stat.MLJun 20, 2025

Gaussian Processes and Reproducing Kernel Hilbert Spaces: Connections and Equivalences

Authors: Motonobu KanagawaPhilipp HennigDino SejdinovicBharath K. Sriperumbudur

Abstract

This monograph studies the relations between two approaches using positive definite kernels: probabilistic methods using Gaussian processes, and non-probabilistic methods using reproducing kernel Hilbert spaces (RKHS). They are widely studied and used in machine learning, statistics, and numerical analysis. We study connections and equivalences for fundamental topics such as regression, interpolation, numerical integration, distributional discrepancies, and statistical dependence, as well as sample path properties of Gaussian processes. A unifying perspective for these equivalences is established, based on the equivalence between the Gaussian Hilbert space and the RKHS. The monograph serves as a basis to bridge many other methods based on Gaussian processes and reproducing kernels, which are developed in parallel by the two research communities.

Explore similar work

Jul 23, 2026cs.LG

Data eccentricity, asymptotics of Gaussian RBF reproducing kernel Hilbert space, and kernel PCA

We show that, up to isotropic scaling, the Gaussian RBF reproducing kernel Hilbert space (RKHS) is asymptotically isometric to Euclidean space in the large bandwidth limit. This strongly suggests that kernel-based constructions reliant on metric properties of the RKHS will yield results for Gaussian RBF kernels that similarly approach those of linear kernels for large bandwidths. The asymptotic behavior of Gaussian CKA can be understood in this light. We further consider kernel PCA, showing that Gaussian RBF eigenvalues, eigenprojections, and principal components all converge to those of classical (linear) PCA as bandwidth σσ\rightarrow \infty. For a given data representation, both the RKHS feature embeddings and the orthogonal PCA eigenframes of the two kernel types differ asymptotically by a geometric similarity transformation, up to a residual of size O(ρσ)2O \left (\fracρσ \right )^2, where ρρ is a measure of geometric eccentricity of the representation, equal to the ratio of maximum to median pairwise distance between data examples. Experiments over a diverse collection of data sets demonstrate that ρρ provides a simple and reliable predictor of dataset-specific convergence behavior in the top principal directions.
Sergio A. Alvarez
May 7, 2026stat.ML

Gaussian mixture models in Hilbert spaces via kernel methods

Modern datasets across many disciplines increasingly consist of time-evolving, potentially infinite-dimensional random objects, such as dynamic functional data, which are naturally modeled in Hilbert spaces. In these settings, characterizing probability measures, for example, through densities, can be ill-defined or technically challenging. Motivated by clustering applications, we propose a Gaussian mixture framework for Hilbert-space-valued data based on kernel mean embeddings and develop efficient optimization algorithms for estimation. We establish theoretical guarantees showing that the proposed algorithm is well defined and that the model yields a dense class of approximations in infinite-dimensional spaces. We evaluate the framework through extensive experiments on diverse structures and data geometries, including L2L^2-functional data and random graphs in Laplacian spaces arising in modern medical applications.
Daniel López-Montero, Antonio Álvarez-López, Marcos Matabuena
May 11, 2026stat.ML

Scalable Gaussian process inference via neural feature maps

We present a theoretically grounded Gaussian process framework that leverages neural feature maps to construct expressive kernels. We show that the learned feature map can be interpreted as an optimal low-rank approximation to a Gram matrix derived from an implied RKHS, from which we establish consistency of the GP posterior. We further analyse the spectral properties of the induced kernels and introduce product feature-map kernels to address oversmoothing. This simple yet powerful approach enables fast, scalable, and accurate exact GP inference with minimal upfront work. The flexibility of kernel design supports seamless application to both regression and classification tasks across diverse data modalities, including tabular inputs and structured domains such as images. On benchmark datasets, this approach surpasses pre-existing methods in terms of accuracy and training and prediction efficiency.
Anthony Stephenson