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In this paper, we propose a model and algorithm for sparse representing Gaussian molecular surface. The original Gaussian molecular surface is approximated by a relatively small number of radial basis functions (RBFs) with rotational…

Numerical Analysis · Mathematics 2019-09-20 Sheng Gui , Minxin Chen , Benzhuo Lu

Some response surface functions in complex engineering systems are usually highly nonlinear, unformed, and expensive-to-evaluate. To tackle this challenge, Bayesian optimization, which conducts sequential design via a posterior distribution…

Machine Learning · Statistics 2021-09-23 Areej AlBahar , Inyoung Kim , Xiaowei Yue

Gaussian processes (GPs) are Bayesian non-parametric models popular in a variety of applications due to their accuracy and native uncertainty quantification (UQ). Tuning GP hyperparameters is critical to ensure the validity of prediction…

Machine Learning · Computer Science 2022-11-03 Killian Wood , Alec M. Dunton , Amanda Muyskens , Benjamin W. Priest

One commonly finds in applications of smooth radial basis functions (RBFs) that scaling the kernels so they are `flat' leads to smaller discretization errors. However, the direct numerical approach for computing with flat RBFs (RBF-Direct)…

Numerical Analysis · Mathematics 2017-01-04 Grady B. Wright , Bengt Fornberg

Radial basis functions (RBFs) are prominent examples for reproducing kernels with associated reproducing kernel Hilbert spaces (RKHSs). The convergence theory for the kernel-based interpolation in that space is well understood and optimal…

Classical Analysis and ODEs · Mathematics 2023-09-15 Thomas Hangelbroek , Christian Rieger

Global radial basis function (RBF) collocation methods with inifinitely smooth basis functions for partial differential equations (PDEs) work in general geometries, and can have exponential convergence properties for smooth solution…

Numerical Analysis · Mathematics 2020-01-31 Elisabeth Larsson , Ulrika Sundin

In the 6G era, the demand for higher system throughput and the implementation of emerging 6G technologies require large-scale antenna arrays and accurate spatial channel state information (Spatial-CSI). Traditional channel modeling…

Computer Vision and Pattern Recognition · Computer Science 2025-08-26 Lihao Zhang , Zongtan Li , Haijian Sun

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…

Machine Learning · Statistics 2024-03-12 Paul Dommel , Alois Pichler

Most machine learning methods require tuning of hyper-parameters. For kernel ridge regression with the Gaussian kernel, the hyper-parameter is the bandwidth. The bandwidth specifies the length scale of the kernel and has to be carefully…

Machine Learning · Statistics 2023-12-04 Oskar Allerbo , Rebecka Jörnsten

We propose a flexible procedure for large-scale image search by hash functions with kernels. Our method treats binary codes and pairwise semantic similarity as latent and observed variables, respectively, in a probabilistic model based on…

Computer Vision and Pattern Recognition · Computer Science 2016-04-26 Bahadir Ozdemir , Larry S. Davis

In this article we present an algorithm to efficiently evaluate the exchange matrix in periodic systems when Gaussian basis set with pseudopotentials are used. The usual algorithm for evaluating exchange matrix scales cubically with the…

Strongly Correlated Electrons · Physics 2022-11-11 Sandeep Sharma , Alec F. White , Gregory Beylkin

Localized collocation methods based on radial basis functions (RBFs) for elliptic problems appear to be non-robust in the presence of Neumann boundary conditions. In this paper we overcome this issue by formulating the RBF-generated finite…

Numerical Analysis · Mathematics 2021-03-16 Igor Tominec , Elisabeth Larsson , Alfa Heryudono

Approximation of scattered geometric data is often a task in many engineering problems. The Radial Basis Function (RBF) approximation is appropriate for large scattered (unordered) datasets in d-dimensional space. This method is useful for…

Graphics · Computer Science 2018-04-19 Zuzana Majdisova , Vaclav Skala

Gaussian processes (GPs) are ubiquitous tools for modeling and predicting continuous processes in physical and engineering sciences. This is partly due to the fact that one may employ a Gaussian process as an interpolator while facilitating…

Statistics Theory · Mathematics 2025-12-16 D. Andrew Brown , Peter Kiessler , John Nicholson

Decoupled fractional Laplacian wave equation can describe the seismic wave propagation in attenuating media. Fourier pseudospectral implementations, which solve the equation in spatial frequency domain, are the only existing methods for…

Numerical Analysis · Mathematics 2018-01-08 Yiran Xu , Jingye Li , Guofei Pang , Zhikai Wang , Xiaohong Chen

Recent cosmological observations have achieved high-precision measurements of the Universe's expansion history, prompting the use of nonparametric methods such as Gaussian processes (GP) regression. We apply GP regression for reconstructing…

Cosmology and Nongalactic Astrophysics · Physics 2025-11-21 Jia-yan Jiang , Kang Jiao , Tong-Jie Zhang

Providing a model that achieves a strong predictive performance and is simultaneously interpretable by humans is one of the most difficult challenges in machine learning research due to the conflicting nature of these two objectives. To…

Machine Learning · Computer Science 2024-05-14 Danny D'Agostino , Ilija Ilievski , Christine Annette Shoemaker

We construct a pseudospectral method for the solution of time-dependent, non-linear partial differential equations on a three-dimensional spherical shell. The problem we address is the treatment of tensor fields on the sphere. As a test…

Computational Physics · Physics 2015-05-27 Bernd Bruegmann

Kernel methods are applied to many problems in pattern recognition, including subspace clustering (SC). That way, nonlinear problems in the input data space become linear in mapped high-dimensional feature space. Thereby, computationally…

Machine Learning · Computer Science 2024-01-31 Ivica Kopriva

Approximation of scattered data is often a task in many engineering problems. The Radial Basis Function (RBF) approximation is appropriate for large scattered (unordered) datasets in d-dimensional space. This approach is useful for a higher…

Numerical Analysis · Computer Science 2018-06-21 Zuzana Majdisova , Vaclav Skala