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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…

材料科学 · 物理学 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…

概率论 · 数学 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…

统计方法学 · 统计学 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…

化学物理 · 物理学 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…

最优化与控制 · 数学 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…

宇宙学与河外天体物理 · 物理学 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…

概率论 · 数学 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…

介观与纳米尺度物理 · 物理学 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…

概率论 · 数学 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…

统计方法学 · 统计学 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…

机器学习 · 计算机科学 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…

机器学习 · 统计学 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…

统计力学 · 物理学 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…

图像与视频处理 · 电气工程与系统科学 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…

星系天体物理 · 物理学 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…

量子物理 · 物理学 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,…

软凝聚态物质 · 物理学 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…

材料科学 · 物理学 2015-05-14 Andreea Panaitescu , Arshad Kudrolli