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For machine learning of interatomic potentials a scalable sparse Gaussian process regression formalism is introduced with a data-efficient on-the-fly adaptive sampling algorithm. With this approach, the computational cost is effectively…

Computational Physics · Physics 2021-06-09 Amir Hajibabaei , Chang Woo Myung , Kwang S. Kim

This paper presents a new variable selection approach integrated with Gaussian process (GP) regression. We consider a sparse projection of input variables and a general stationary covariance model that depends on the Euclidean distance…

Machine Learning · Computer Science 2020-08-26 Chiwoo Park , David J. Borth , Nicholas S. Wilson , Chad N. Hunter

Uncertainty quantification of groundwater (GW) aquifer parameters is critical for efficient management and sustainable extraction of GW resources. These uncertainties are introduced by the data, model, and prior information on the…

Geophysics · Physics 2021-12-08 Amal Alghamdi , Marc Hesse , Jingyi Chen , Umberto Villa , Omar Ghattas

The velocity distributions of stellar tracers in general exhibit weak non-Gaussianity encoding information on the orbital composition of a galaxy and the underlying potential. The standard solution for measuring non-Gaussianity involves…

Astrophysics of Galaxies · Physics 2020-10-28 Jason L. Sanders , N. Wyn Evans

This paper presents a new approach to the estimation of the deformation of an isotropic Gaussian random field on $\mathbb{R}^2$ based on dense observations of a single realization of the deformed random field. Under this framework we…

Statistics Theory · Mathematics 2008-12-18 Ethan B. Anderes , Michael L. Stein

Accurately representing surface weather at the sub-kilometer scale is crucial for optimal decision-making in a wide range of applications. This motivates the use of statistical techniques to provide accurate and calibrated probabilistic…

Atmospheric and Oceanic Physics · Physics 2024-11-15 Francesco Zanetta , Daniele Nerini , Matteo Buzzi , Henry Moss

Complex Gaussian basis sets are optimized to accurately represent continuum radial wavefunctions over the whole space. First, attention is put on the technical ability of the optimization method to get more flexible series of Gaussian…

Chemical Physics · Physics 2025-11-04 Stéphanie Laure Egome Nana , Arnaud Leclerc , Lorenzo Ugo Ancarani

We present the first Bayesian method for tomographic decomposition of the plane-of-sky orientation of the magnetic field with the use of stellar polarimetry and distance. This standalone tomographic inversion method presents an important…

The single sideband (SSB) framework of analytical electron ptychography can account for the presence of residual geometrical aberrations induced by the probe-forming lens. However, the accuracy of this aberration correction method is highly…

We present a method to accurately predict the Helmholtz harmonic free energies of molecular crystals in high-throughput settings. This is achieved by devising a computationally efficient framework that employs a Gaussian Process Regression…

Materials Science · Physics 2021-06-17 Marcin Krynski , Mariana Rossi

In this paper, we study the problem of adaptive estimation of the spectral density of a stationary Gaussian process. For this purpose, we consider a wavelet-based method which combines the ideas of wavelet approximation and estimation by…

Statistics Theory · Mathematics 2011-06-07 Jérémie Bigot , Rolando Biscay Lirio , Jean-Michel Loubes , Lilian Muniz Alvarez

In this paper, we introduce the notion of Gaussian processes indexed by probability density functions for extending the Mat\'ern family of covariance functions. We use some tools from information geometry to improve the efficiency and the…

Methodology · Statistics 2020-11-09 A. Fradi , Y. Feunteun , C. Samir , M. Baklouti , F. Bachoc , J-M. Loubes

We present a new approach to model the gravitational dynamics of large-scale structures. Instead of solving the equations of motion up to a finite perturbative order or building phenomenological models, we follow the evolution of the…

Cosmology and Nongalactic Astrophysics · Physics 2020-07-01 Patrick Valageas

Here we characterized an information measure for cell polarity that applies to non-motile cells responding to a chemical gradient. The central idea is that polarization represents information about the direction of the gradient. We applied…

Cell Behavior · Quantitative Biology 2025-04-14 Tau-Mu Yi

We introduce a method based on Gaussian process regression to identify discrete variational principles from observed solutions of a field theory. The method is based on the data-based identification of a discrete Lagrangian density. It is a…

Numerical Analysis · Mathematics 2024-07-11 Christian Offen

Multimode Gaussian states are a versatile resource for quantum information technologies and have been realized across a wide range of physical platforms. Recent progress in the large-scale generation of such states provides a key ingredient…

Quantum Physics · Physics 2026-04-14 Chan Roh , Geunhee Gwak , Young-Do Yoon , Young-Sik Ra

Small ions are part of the atmospheric aerosol spectrum, and study of ion-aerosol interactions is fundamental in atmospheric physics. Air ion physics and instrumentation are reviewed, including the historical context. A miniaturised Gerdien…

Atmospheric and Oceanic Physics · Physics 2016-09-08 K. L. Aplin

The specification of a covariance function is of paramount importance when employing Gaussian process models, but the requirement of positive definiteness severely limits those used in practice. Designing flexible stationary covariance…

Computation · Statistics 2024-05-01 Paul G. Beckman , Christopher J. Geoga

AI and data-driven models have large potential for data assimilation applications by creating fast and accurate forecasts. Their tendency to produce spurious inaccurate, nonphysical results -- hallucination -- however, raises a serious…

Computational Engineering, Finance, and Science · Computer Science 2026-04-28 Andrey A. Popov

In this paper we find an analytical solution of the equilibrium ion distribution for a toroidal model of a ionic channel, using the Perfect Screening Theorem (PST). The ions are charged hard spheres, and are treated using a variational Mean…

Biological Physics · Physics 2009-11-11 A. Enriquez , L. Blum
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