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Universal kernels via harmonic analysis on Riemannian symmetric spaces

arXiv.org Artificial Intelligence

The universality properties of kernels characterize the class of functions that can be approximated in the associated reproducing kernel Hilbert space and are of fundamental importance in the theoretical underpinning of kernel methods in machine learning. In this work, we establish fundamental tools for investigating universality properties of kernels in Riemannian symmetric spaces, thereby extending the study of this important topic to kernels in non-Euclidean domains. Moreover, we use the developed tools to prove the universality of several recent examples from the literature on positive definite kernels defined on Riemannian symmetric spaces, thus providing theoretical justification for their use in applications involving manifold-valued data.


Generalizing from Several Related Classification Tasks to a New Unlabeled Sample

Neural Information Processing Systems

We consider the problem of assigning class labels to an unlabeled test data set, given several labeled training data sets drawn from similar distributions. This problem arises in several applications where data distributions fluctuate because of biological, technical, or other sources of variation. We develop a distributionfree, kernel-based approach to the problem. This approach involves identifying an appropriate reproducing kernel Hilbert space and optimizing a regularized empirical risk over the space. We present generalization error analysis, describe universal kernels, and establish universal consistency of the proposed methodology. Experimental results on flow cytometry data are presented.


Statistical Topological Data Analysis - A Kernel Perspective

Neural Information Processing Systems

We consider the problem of statistical computations with persistence diagrams, a summary representation of topological features in data. These diagrams encode persistent homology, a widely used invariant in topological data analysis. While several avenues towards a statistical treatment of the diagrams have been explored recently, we follow an alternative route that is motivated by the success of methods based on the embedding of probability measures into reproducing kernel Hilbert spaces. In fact, a positive definite kernel on persistence diagrams has recently been proposed, connecting persistent homology to popular kernel-based learning techniques such as support vector machines. However, important properties of that kernel enabling a principled use in the context of probability measure embeddings remain to be explored. Our contribution is to close this gap by proving universality of a variant of the original kernel, and to demonstrate its e ffective use in two-sample hypothesis testing on synthetic as well as real-world data.


Universal Kernels on Non-Standard Input Spaces

Neural Information Processing Systems

During the last years support vector machines (SVMs) have been successfully applied even in situations where the input space X is not necessarily a subset of R d . Examples include SVMs using probability measures to analyse e.g. Moreover, SVMs are known to be consistent to the Bayes risk, if either the input space is a complete separable metric space and the reproducing kernel Hilbert space (RKHS) H\subset L_p(P_X) is dense, or if the SVM is based on a universal kernel k . So far, however, there are no RKHSs of practical interest known that satisfy these assumptions on \cH or k if X ot\subset R d . We close this gap by providing a general technique based on Taylor-type kernels to explicitly construct universal kernels on compact metric spaces which are not subset of R d .


Nonlinear Sufficient Dimension Reduction for Distribution-on-Distribution Regression

arXiv.org Machine Learning

We introduce a new approach to nonlinear sufficient dimension reduction in cases where both the predictor and the response are distributional data, modeled as members of a metric space. Our key step is to build universal kernels (cc-universal) on the metric spaces, which results in reproducing kernel Hilbert spaces for the predictor and response that are rich enough to characterize the conditional independence that determines sufficient dimension reduction. For univariate distributions, we construct the universal kernel using the Wasserstein distance, while for multivariate distributions, we resort to the sliced Wasserstein distance. The sliced Wasserstein distance ensures that the metric space possesses similar topological properties to the Wasserstein space while also offering significant computation benefits. Numerical results based on synthetic data show that our method outperforms possible competing methods. The method is also applied to several data sets, including fertility and mortality data and Calgary temperature data.


Dimension Reduction and Data Visualization for Fr\'echet Regression

arXiv.org Machine Learning

With the rapid development of data collection techniques, complex data objects that are not in the Euclidean space are frequently encountered in new statistical applications. Fr\'echet regression model (Peterson & M\"uller 2019) provides a promising framework for regression analysis with metric space-valued responses. In this paper, we introduce a flexible sufficient dimension reduction (SDR) method for Fr\'echet regression to achieve two purposes: to mitigate the curse of dimensionality caused by high-dimensional predictors, and to provide a tool for data visualization for Fr\'echet regression. Our approach is flexible enough to turn any existing SDR method for Euclidean (X,Y) into one for Euclidean X and metric space-valued Y. The basic idea is to first map the metric-space valued random object $Y$ to a real-valued random variable $f(Y)$ using a class of functions, and then perform classical SDR to the transformed data. If the class of functions is sufficiently rich, then we are guaranteed to uncover the Fr\'echet SDR space. We showed that such a class, which we call an ensemble, can be generated by a universal kernel. We established the consistency and asymptotic convergence rate of the proposed methods. The finite-sample performance of the proposed methods is illustrated through simulation studies for several commonly encountered metric spaces that include Wasserstein space, the space of symmetric positive definite matrices, and the sphere. We illustrated the data visualization aspect of our method by exploring the human mortality distribution data across countries and by studying the distribution of hematoma density.


Universal Kernels on Non-Standard Input Spaces

Neural Information Processing Systems

During the last years support vector machines (SVMs) have been successfully applied even in situations where the input space $X$ is not necessarily a subset of $R d$. Examples include SVMs using probability measures to analyse e.g. Moreover, SVMs are known to be consistent to the Bayes risk, if either the input space is a complete separable metric space and the reproducing kernel Hilbert space (RKHS) $H\subset L_p(P_X)$ is dense, or if the SVM is based on a universal kernel $k$. So far, however, there are no RKHSs of practical interest known that satisfy these assumptions on $\cH$ or $k$ if $X ot\subset R d$. We close this gap by providing a general technique based on Taylor-type kernels to explicitly construct universal kernels on compact metric spaces which are not subset of $R d$. We apply this technique for the following special cases: universal kernels on the set of probability measures, universal kernels based on Fourier transforms, and universal kernels for signal processing.


On the Expressive Power of Kernel Methods and the Efficiency of Kernel Learning by Association Schemes

arXiv.org Machine Learning

We study the expressive power of kernel methods and the algorithmic feasibility of multiple kernel learning for a special rich class of kernels. Specifically, we define \emph{Euclidean kernels}, a diverse class that includes most, if not all, families of kernels studied in literature such as polynomial kernels and radial basis functions. We then describe the geometric and spectral structure of this family of kernels over the hypercube (and to some extent for any compact domain). Our structural results allow us to prove meaningful limitations on the expressive power of the class as well as derive several efficient algorithms for learning kernels over different domains.


A Theoretical Investigation of Graph Degree as an Unsupervised Normality Measure

arXiv.org Machine Learning

For a graph representation of a dataset, a straightforward normality measure for a sample can be its graph degree. Considering a weighted graph, degree of a sample is the sum of the corresponding row's values in a similarity matrix. The measure is intuitive given the abnormal samples are usually rare and they are dissimilar to the rest of the data. In order to have an in-depth theoretical understanding, in this manuscript, we investigate the graph degree in spectral graph clustering based and kernel based point of views and draw connections to a recent kernel method for the two sample problem. We show that our analyses guide us to choose fully-connected graphs whose edge weights are calculated via universal kernels. We show that a simple graph degree based unsupervised anomaly detection method with the above properties, achieves higher accuracy compared to other unsupervised anomaly detection methods on average over 10 widely used datasets. We also provide an extensive analysis on the effect of the kernel parameter on the method's accuracy.