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Topological data analysis (TDA) is an emerging mathematical concept for characterizing shapes in complex data. In TDA, persistence diagrams are widely recognized as a useful descriptor of data, and can distinguish robust and noisy…

Algebraic Topology · Mathematics 2016-04-27 Genki Kusano , Kenji Fukumizu , Yasuaki Hiraoka

The interface between stochastic analysis and machine learning is a rapidly evolving field, with path signatures - iterated integrals that provide faithful, hierarchical representations of paths - offering a principled and universal feature…

Machine Learning · Statistics 2025-06-26 Csaba Tóth

The study of complex networks is a significant development in modern science, and has enriched the social sciences, biology, physics, and computer science. Models and algorithms for such networks are pervasive in our society, and impact…

Machine Learning · Computer Science 2022-06-08 C. Seshadhri , Aneesh Sharma , Andrew Stolman , Ashish Goel

Many machine learning techniques have been proposed in the last few years to process data represented in graph-structured form. Graphs can be used to model several scenarios, from molecules and materials to RNA secondary structures. Several…

Machine Learning · Computer Science 2018-11-19 Nicolò Navarin , Dinh V. Tran , Alessandro Sperduti

Although Gaussian processes (GPs) with deep kernels have been successfully used for meta-learning in regression tasks, its uncertainty estimation performance can be poor. We propose a meta-learning method for calibrating deep kernel GPs for…

Machine Learning · Statistics 2023-12-14 Tomoharu Iwata , Atsutoshi Kumagai

Large-scale Gaussian process inference has long faced practical challenges due to time and space complexity that is superlinear in dataset size. While sparse variational Gaussian process models are capable of learning from large-scale data,…

Machine Learning · Statistics 2018-01-23 Ching-An Cheng , Byron Boots

Prior beliefs about the latent function to shape inductive biases can be incorporated into a Gaussian Process (GP) via the kernel. However, beyond kernel choices, the decision-making process of GP models remains poorly understood. In this…

Machine Learning · Computer Science 2023-06-07 Maximilian P. Niroomand , Luke Dicks , Edward O. Pyzer-Knapp , David J. Wales

These notes provide a self-contained introduction to kernel methods and their geometric foundations in machine learning. Starting from the construction of Hilbert spaces, we develop the theory of positive definite kernels, reproducing…

Quantum kernel methods offer significant theoretical benefits by rendering classically inseparable features separable in quantum space. Yet, the practical application of Quantum Machine Learning (QML), currently constrained by the…

Machine Learning · Computer Science 2026-02-03 Philipp Altmann , Maximilian Mansky , Maximilian Zorn , Jonas Stein , Claudia Linnhoff-Popien

Graphical models express conditional independence relationships among variables. Although methods for vector-valued data are well established, functional data graphical models remain underdeveloped. We introduce a notion of conditional…

Methodology · Statistics 2016-01-06 Hongxiao Zhu , Nate Strawn , David B. Dunson

We present in this work a new family of kernels to compare positive measures on arbitrary spaces $\Xcal$ endowed with a positive kernel $\kappa$, which translates naturally into kernels between histograms or clouds of points. We first cover…

Machine Learning · Statistics 2009-09-08 Marco Cuturi

Gaussian process regression (GPR) model is a popular nonparametric regression model. In GPR, features of the regression function such as varying degrees of smoothness and periodicities are modeled through combining various covarinace…

Statistics Theory · Mathematics 2023-03-07 Jaehoan Kim , Jaeyong Lee

Applying kernel methods to matchings is challenging due to their discrete, non-Euclidean nature. In this paper, we develop a principled framework for constructing geometric kernels that respect the natural geometry of the space of…

Machine Learning · Computer Science 2026-04-17 Dmitry Eremeev , Salem Said , Viacheslav Borovitskiy

Gaussian processes are powerful models for probabilistic machine learning, but are limited in application by their $O(N^3)$ inference complexity. We propose a method for deriving parametric families of kernel functions with compact spatial…

Machine Learning · Computer Science 2020-06-09 Jarred Barber

The k-point correlation functions of the Gaussian Random Matrix Ensembles are certain determinants of functions which depend on only two arguments. They are referred to as kernels, since they are the building blocks of all correlations. We…

Mathematical Physics · Physics 2009-11-10 Johan Groenqvist , Thomas Guhr , Heiner Kohler

Currently there exists rather promising new trend in machine leaning (ML) based on the relationship between neural networks (NN) and Gaussian processes (GP), including many related subtopics, e.g., signal propagation in NNs, theoretical…

Machine Learning · Computer Science 2023-03-01 Andrey Demichev , Alexander Kryukov

This paper presents a framework for computing random operator-valued feature maps for operator-valued positive definite kernels. This is a generalization of the random Fourier features for scalar-valued kernels to the operator-valued case.…

Machine Learning · Computer Science 2016-08-22 Ha Quang Minh

Learning precise surrogate models of complex computer simulations and physical machines often require long-lasting or expensive experiments. Furthermore, the modeled physical dependencies exhibit nonlinear and nonstationary behavior.…

Machine Learning · Computer Science 2023-03-20 Matthias Bitzer , Mona Meister , Christoph Zimmer

We study the problem of recovering the structure underlying large Gaussian graphical models or, more generally, partial correlation graphs. In high-dimensional problems it is often too costly to store the entire sample covariance matrix. We…

Statistics Theory · Mathematics 2021-10-13 Gábor Lugosi , Jakub Truszkowski , Vasiliki Velona , Piotr Zwiernik

We present a new method for constructing valid covariance functions of Gaussian processes for spatial analysis in irregular, non-convex domains such as bodies of water. Standard covariance functions based on geodesic distances are not…

Methodology · Statistics 2024-08-29 Brian Gilbert , Abhirup Datta