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Kernel methods are used frequently in various applications of machine learning. For large-scale high dimensional applications, the success of kernel methods hinges on the ability to operate certain large dense kernel matrix K. An enormous…
We briefly summarize the kernel regression approach, as used recently in materials modelling, to fitting functions, particularly potential energy surfaces, and highlight how the linear algebra framework can be used to both predict and train…
We introduce a sound and complete equational theory capturing equivalence of discrete probabilistic programs, that is, programs extended with primitives for Bernoulli distributions and conditioning, to model distributions over finite sets…
Highly localized kernels constructed by orthogonal polynomials have been fundamental in recent development of approximation and computational analysis on the unit sphere, unit ball and several other regular domains. In this work we first…
We introduce the categories of quasi-measurable spaces, which are slight generalizations of the category of quasi-Borel spaces, where we now allow for general sample spaces and less restrictive random variables, spaces and maps. We show…
We extend the adjoint method to complex-valued PDEs and introduce the Fr\'echet root sensitivity kernel, as the most fundamental kernel from which all other material-sensitivity kernels can be derived. We apply this framework to four…
In abstract interpretation-based static analysis, approximation is encoded by abstract domains. They provide systematic guidelines for designing abstract semantic functions that approximate some concrete system behaviors under analysis. It…
Deep kernel learning provides an elegant and principled framework for combining the structural properties of deep learning algorithms with the flexibility of kernel methods. By means of a deep neural network, we learn a parametrized kernel…
The scaling limit where both the size of the training set $P$ and the width $N$ of a deep neural network grow at the same rate, the so-called proportional-width regime, has been intensely studied for shallow, single-hidden-layer networks.…
Recently, there has been emerging interest in constructing reproducing kernel Banach spaces (RKBS) for applied and theoretical purposes such as machine learning, sampling reconstruction, sparse approximation and functional analysis.…
In this paper we construct a hierarchy of multivariate polynomial approximation kernels via semidefinite programming. We give details on the implementation of the semidefinite programs defining the kernels. Finally, we show how a symmetry…
For many machine learning problem settings, particularly with structured inputs such as sequences or sets of objects, a distance measure between inputs can be specified more naturally than a feature representation. However, most standard…
The Weisfeiler-Lehman graph kernels are among the most prevalent graph kernels due to their remarkable time complexity and predictive performance. Their key concept is based on an implicit comparison of neighborhood representing trees with…
This paper establishes inverse inequalities for kernel-based approximation spaces defined on bounded Lipschitz domains in $\mathbb{R}^d$ and compact Riemannian manifolds. While inverse inequalities are well-studied for polynomial spaces,…
In recent years, neural networks have achieved remarkable progress in various fields and have also drawn much attention in applying them on scientific problems. A line of methods involving neural networks for solving partial differential…
For some kernel matrices, low-rank approximations can be quickly obtained via analytic techniques. One important class of analytic methods that has received attention in recent years is based on the use of proxy points. Accuracy analysis…
Various methods in statistical learning build on kernels considered in reproducing kernel Hilbert spaces. In applications, the kernel is often selected based on characteristics of the problem and the data. This kernel is then employed to…
Kernel methods are ubiquitous tools in machine learning. However, there is often little reason for the common practice of selecting a kernel a priori. Even if a universal approximating kernel is selected, the quality of the finite sample…
A representation of finite-dimensional probabilistic models in terms of formally real Jordan algebras is obtained, in a strikingly easy way, from simple assumptions. This provides a framework in which real, complex and quaternionic quantum…
Many algorithms in scientific computing and data science take advantage of low-rank approximation of matrices and kernels, and understanding why nearly-low-rank structure occurs is essential for their analysis and further development. This…