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A scheme within density functional theory is proposed that provides a practical way to generalize to unrestricted geometries the method applied with some success to layered geometries [H. Rydberg, et al., Phys. Rev. Lett. 91, 126402…

Materials Science · Physics 2009-11-10 M. Dion , H. Rydberg , E. Schroder , D. C. Langreth , B. I. Lundqvist

We give estimates of the distance between the densities of the laws of two functionals $F$ and $G$ on the Wiener space in terms of the Malliavin-Sobolev norm of $F-G.$ We actually consider a more general framework which allows one to treat…

Probability · Mathematics 2016-04-07 Vlad Bally , Lucia Caramellino

Most of the work on checking spherical symmetry assumptions on the distribution of the $p$-dimensional random vector $Y$ has its focus on statistical tests for the null hypothesis of exact spherical symmetry. In this paper, we take a…

Methodology · Statistics 2026-01-26 Lujia Bai , Holger Dette

Recently, Theophilou (J. Chem.Phys {\bf 149} 074104 (2018)) showed that a set of spherically symmetric densities determines uniquely the external potential in molecules and solids. Here, spherically symmetric Kohn-Sham-like equations are…

Chemical Physics · Physics 2021-10-27 Ágnes Nagy , Kalevi Kokko , Jesse Huhtala , Torbjörn Björkman , Levente Vitos

The ball-constrained weighted maximin dispersion problem $(\rm P_{ball})$ is to find a point in an $n$-dimensional Euclidean ball such that the minimum of the weighted Euclidean distance from given $m$ points is maximized. We propose a new…

Optimization and Control · Mathematics 2016-04-11 Shu Wang , Yong Xia

In non-linear scales, the matter density distribution is not Gaussian. Consequently, the widely used two-point correlation function is not adequate anymore to capture the matter density field's entire behaviour. Among all statistics beyond…

Cosmology and Nongalactic Astrophysics · Physics 2022-04-20 Mohammad Ansari Fard , Zahra Baghkhani , Laya Ghodsi , Sina Taamoli , Farbod Hassani , Shant Baghram

Von Renesse and the author (Ann. Prob. '09) developed a second order calculus on the Wasserstein space P([0,1]) of probability measures on the unit interval. The basic objects of interest had been Dirichlet form, semigroup and continuous…

Probability · Mathematics 2011-05-20 Karl-Theodor Sturm

We develop a self-consistent first-principle method based on the density functional theory. Physical quantities, such as the density of states, Fermi energy and electron density are obtained using a time-dependent random state method…

Mesoscale and Nanoscale Physics · Physics 2023-02-15 Weiqing Zhou , Shengjun Yuan

A stochastic algorithm is proposed, finding some elements from the set of intrinsic $p$-mean(s) associated to a probability measure $\nu$ on a compact Riemannian manifold and to $p\in[1,\infty)$. It is fed sequentially with independent…

Probability · Mathematics 2016-06-24 Marc Arnaudon , Laurent Miclo

We propose new small-sphere distributional families for modeling multivariate directional data on $(\mathbb{S}^{p-1})^K$ for $p \ge 3$ and $K \ge 1$. In a special case of univariate directions in $\Re^3$, the new densities model random…

Methodology · Statistics 2020-06-29 Byungwon Kim , Stephan Huckemann , Jörn Schulz , Sungkyu Jung

Diffusion distillation provides an effective approach for learning lightweight and few-steps diffusion models with efficient generation. However, evaluating their generalization remains challenging: theoretical metrics are often impractical…

Machine Learning · Computer Science 2026-02-13 Huijie Zhang , Zijian Huang , Siyi Chen , Jinfan Zhou , Zekai Zhang , Peng Wang , Qing Qu

We investigate the motion of a run-and-tumble particle (RTP) in one dimension. We find the exact probability distribution of the particle with and without diffusion on the infinite line, as well as in a finite interval. In the infinite…

The Sliced-Wasserstein distance (SW) is being increasingly used in machine learning applications as an alternative to the Wasserstein distance and offers significant computational and statistical benefits. Since it is defined as an…

Machine Learning · Statistics 2022-01-05 Kimia Nadjahi , Alain Durmus , Pierre E. Jacob , Roland Badeau , Umut Şimşekli

A study of the diffusion of a passive Brownian particle on the surface of a sphere and subject to the effects of an external potential, coupled linearly to the probability density of the particle's position, is presented through a numerical…

Statistical Mechanics · Physics 2021-08-31 Adriano Valdés Gómez , Francisco J. Sevilla

Probabilistic diffusion models enjoy increasing popularity in the deep learning community. They generate convincing samples from a learned distribution of input images with a wide field of practical applications. Originally, these…

Image and Video Processing · Electrical Eng. & Systems 2023-09-19 Pascal Peter

Gaussian particles provide a flexible framework for modelling and simulating three-dimensional star-shaped random sets. In our framework, the radial function of the particle arises from a kernel smoothing, and is associated with an…

This work discusses the main analogies and differences between the deterministic approach underlying most cosmological N-body simulations and the probabilistic interpretation of the problem that is often considered in mathematics and…

Astrophysics of Galaxies · Physics 2018-07-03 Mario Romero , Yago Ascasibar

Generalized quantum measurements with N distinct outcomes are used for determining the density matrix, of order d, of an ensemble of quantum systems. The resulting probabilities are represented by a point in an N-dimensional space. It is…

Quantum Physics · Physics 2009-10-31 Asher Peres , Daniel Terno

Finding the optimal random packing of non-spherical particles is an open problem with great significance in a broad range of scientific and engineering fields. So far, this search has been performed only empirically on a case-by-case basis,…

Soft Condensed Matter · Physics 2013-08-06 Adrian Baule , Romain Mari , Lin Bo , Louis Portal , Hernan A. Makse

We measure the two-point density correlations and Voronoi cell distributions of cyclically sheared granular spheres obtained with a fluorescence technique and compare them with random packing of frictionless spheres. We find that the radial…

Materials Science · Physics 2015-05-14 Andreea Panaitescu , Arshad Kudrolli