Gaussian mixture models in Hilbert spaces via kernel methods

Bregman divergences play a pivotal role in statistics, machine learning and computational information geometry. Particularly in the context of machine learning, they are central to clustering, exponential families, parameter estimation and optimisation, among other things. Despite this, the full toolkit of Hilbert spaces and in particular reproducing kernel Hilbert spaces have not been systematically developed and applied to functional Bregman divergences, where points are functions rather than finite-dimensional parameter vectors. While other types of functional Bregman divergences have been studied, these are typically in a Banach space rather than more directly aligned with kernel methods and Hilbert-space geometry commonly used in machine learning. We consider functional Bregman divergences on a Hilbert space, where the self-dual pairing and Riesz representer afford us particularly convenient calculus. Further specialising Bregman generators as a composition involving a kernel mean embedding makes such divergences easy to estimate. We discuss applications in clustering, universal estimation, robust estimation and generative modelling, and contrast our approach with other types of Bregman divergences.

The Gaussian mixture model is widely used in unsupervised learning, owing to its simplicity and interpretability. However, a fundamental limitation of the classical Gaussian mixture model is that it forces each observation to belong to exactly one component. In many practical applications, such as genetics, social network analysis, and text mining, an observation may naturally belong to multiple components or exhibit partial membership in several latent components. To overcome this limitation, we propose the mixed membership sub-Gaussian model, which extends the classical Gaussian mixture framework by allowing each observation to belong to multiple components. This model inherits the interpretability of the classical Gaussian mixture model while offering greater flexibility for capturing complex overlapping structures. We develop an efficient spectral algorithm to estimate the mixed membership of each individual observation, and under mild separation conditions on the component centres, we prove that the estimation error of the per-individual membership vector can be made arbitrarily small with high probability. To our knowledge, this is the first work to provide a computationally efficient estimator with such a vanishing-error guarantee for a mixed-membership extension of the Gaussian mixture model. Extensive experimental studies demonstrate that our method outperforms existing approaches that ignore mixed memberships.

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.