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We present an approach to solid-state electronic-structure calculations based on the finite-element method. In this method, the basis functions are strictly local, piecewise polynomials. Because the basis is composed of polynomials, the…

Condensed Matter · Physics 2009-10-31 J. E. Pask , B. M. Klein , C. Y. Fong , P. A. Sterne

Scattered data interpolation schemes using kriging and radial basis functions (RBFs) have the advantage of being meshless and dimensional independent, however, for the data sets having insufficient observations, RBFs have the advantage over…

Numerical Analysis · Mathematics 2018-06-12 Pankaj K Mishra , Sankar K Nath , Mrinal K Sen , Gregory E Fasshauer

This paper provides a survey of spherical designs and their applications, with a particular emphasis on the perspective of ``numerical analysis''. A set \(X_N\) of \(N\) points on the unit sphere \(\mathbb{S}^d\) is called a…

Numerical Analysis · Mathematics 2026-01-21 Congpei An , Xiaosheng Zhuang

In a general context of positive definite kernels $k$, we develop tools and algorithms for sampling in reproducing kernel Hilbert space $\mathscr{H}$ (RKHS). With reference to these RKHSs, our results allow inference from samples; more…

Functional Analysis · Mathematics 2016-01-28 Palle Jorgensen , Feng Tian

Manifold learning is a popular and quickly-growing subfield of machine learning based on the assumption that one's observed data lie on a low-dimensional manifold embedded in a higher-dimensional space. This thesis presents a mathematical…

Machine Learning · Computer Science 2020-11-04 Luke Melas-Kyriazi

It is well-known that univariate cubic spline interpolation, if carried out on point sets with fill distance $h$, converges only like ${\cal O}(h^2)$ in $L_2[a,b]$ for functions in $W_2^2[a,b]$ if no additional assumptions are made. But…

Numerical Analysis · Mathematics 2016-07-15 Robert Schaback

Localized features such as singularities, sharp gradients, discontinuities, and moving sources require adaptive finite element discretizations. Conventional refinement strategies introduce significant computational overhead through…

Computational Engineering, Finance, and Science · Computer Science 2026-04-29 Jan Niklas Schmäke , Martin Ruess

In this paper we propose a new efficient interpolation tool, extremely suitable for large scattered data sets. The partition of unity method is used and performed by blending Radial Basis Functions (RBFs) as local approximants and using…

Numerical Analysis · Mathematics 2016-04-18 R. Cavoretto , A. De Rossi , E. Perracchione

The purpose of this paper is to establish that for any compact, connected C^{\infty} Riemannian manifold there exists a robust family of kernels of increasing smoothness that are well suited for interpolation. They generate Lagrange…

Classical Analysis and ODEs · Mathematics 2010-07-20 Thomas Hangelbroek , Fran J. Narcowich , Joe D. Ward

The fast Ewald methods are widely used to compute the point-charge electrostatic interactions in molecular simulations. The key step that introduces errors in the computation is the particle-mesh interpolation. In this work, the optimal…

Chemical Physics · Physics 2017-10-25 Han Wang , Jun Fang , Xingyu Gao

Kernel-based subspace clustering, which addresses the nonlinear structures in data, is an evolving area of research. Despite noteworthy progressions, prevailing methodologies predominantly grapple with limitations relating to (i) the…

Machine Learning · Computer Science 2025-01-22 Kunpeng Xu , Lifei Chen , Shengrui Wang

We introduce a theory of local kernels, which generalize the kernels used in the standard diffusion maps construction of nonparametric modeling. We prove that evaluating a local kernel on a data set gives a discrete representation of the…

Classical Analysis and ODEs · Mathematics 2015-01-07 Tyrus Berry , Timothy Sauer

We introduce scalable deep kernels, which combine the structural properties of deep learning architectures with the non-parametric flexibility of kernel methods. Specifically, we transform the inputs of a spectral mixture base kernel with a…

Machine Learning · Computer Science 2015-11-09 Andrew Gordon Wilson , Zhiting Hu , Ruslan Salakhutdinov , Eric P. Xing

Recently, several claims have been made that certain fundamental problems of distributed computing, including Leader Election and Distributed Consensus, begin to admit feasible and efficient solutions when the model of distributed…

Quantum Physics · Physics 2009-03-09 Cyril Gavoille , Adrian Kosowski , Marcin Markiewicz

The Hermite-Birkhoff interpolation problem of a function given on arbitrarily distributed points on the sphere and other manifolds is considered. Each proposed interpolant is expressed as a linear combination of basis functions, the…

Numerical Analysis · Mathematics 2017-05-03 Giampietro Allasia , Roberto Cavoretto , Alessandra De Rossi

In this work, we broadly connect kernel-based filtering (e.g. approaches such as the bilateral filters and nonlocal means, but also many more) with general variational formulations of Bayesian regularized least squares, and the related…

Computer Vision and Pattern Recognition · Computer Science 2019-05-01 Frank Ong , Peyman Milanfar , Pascal Getreuer

Satellites mapping the spatial variations of the gravitational or magnetic fields of the Earth or other planets ideally fly on polar orbits, uniformly covering the entire globe. Thus, potential fields on the sphere are usually expressed in…

Data Analysis, Statistics and Probability · Physics 2013-06-17 Frederik J. Simons , F. A. Dahlen

We describe recent progress in developing practical ab initio methods for which the computer effort is proportional to the number of atoms: linear scaling or O(N) methods. It is shown that the locality property of the density matrix gives a…

Condensed Matter · Physics 2007-05-23 D. R. Bowler , I. J. Bush , M. J. Gillan

This survey describes probabilistic algorithms for linear algebra computations, such as factorizing matrices and solving linear systems. It focuses on techniques that have a proven track record for real-world problem instances. The paper…

Numerical Analysis · Mathematics 2021-03-17 Per-Gunnar Martinsson , Joel Tropp

We study local approximation properties in hierarchical spline spaces through a twofold approach. First, we design and analyze a robust adaptive refinement algorithm to construct locally graded meshes. Second, we establish rigorous…

Numerical Analysis · Mathematics 2026-04-22 Gustavo A. Fernandez Lezcano , Eduardo M. Garau , Bárbara Ivaniszyn
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