中文
相关论文

相关论文: Accurate and efficient algorithm for Bader charge …

200 篇论文

We study the problem of efficiently computing the derivative of the fixed-point of a parametric nondifferentiable contraction map. This problem has wide applications in machine learning, including hyperparameter optimization, meta-learning…

机器学习 · 统计学 2024-06-05 Riccardo Grazzi , Massimiliano Pontil , Saverio Salzo

We analyze a batched variant of Stochastic Gradient Descent (SGD) with weighted sampling distribution for smooth and non-smooth objective functions. We show that by distributing the batches computationally, a significant speedup in the…

数值分析 · 数学 2017-03-02 Deanna Needell , Rachel Ward

The sparse spike estimation problem consists in estimating a number of off-the-grid impulsive sources from under-determined linear measurements. Information theoretic results ensure that the minimization of a non-convex functional is able…

信息论 · 计算机科学 2019-09-13 Yann Traonmilin , Jean-François Aujol

In Becker and Jentzen (2019) and Becker et al. (2017), an explicit temporal semi-discretization scheme and a space-time full-discretization scheme were, respectively, introduced and analyzed for the additive noise-driven stochastic…

数值分析 · 数学 2020-10-07 Xiaojie Wang

For a variant of the algorithm in [Pit19] (arXiv:1903.10816) to compute the approximate density or distribution function of a linear mixture of independent random variables known by a finite sample, it is presented a proof of the functional…

统计理论 · 数学 2019-06-19 Thomas Pitschel

Computational modeling and simulation of fluid-structure interactions constitute a fundamental cornerstone for advancing aerospace engineering endeavors. This paper addresses the notion and implementation of the immersed boundary method for…

计算物理 · 物理学 2025-12-24 Longqing Ge , Qingdong Cai , Yonghao Zhang , Tianbai Xiao

We study the problem of identifying dynamically distinct basins of attraction in high dimensional time-homogeneous Markov processes using only trajectory sampling. This problem is fundamental in the analysis of metastable dynamical systems,…

机器学习 · 统计学 2026-05-26 Taj Jones-McCormick

Attaining accurate average structural properties in a molecular simulation should be considered a prerequisite if one aims to elicit meaningful insights into a system's behavior. For charged surfaces in contact with an electrolyte solution,…

材料科学 · 物理学 2021-03-25 Thomas Sayer , Stephen J. Cox

For the evolution of a compressible fluid in spherical symmetry on a Schwarzschild curved background, we design a class of well-balanced numerical algorithms with first-order or second-order of accuracy. We treat both the relativistic…

数值分析 · 数学 2021-04-27 Philippe G. LeFloch , Carlos Parés , Ernesto Pimentel-García

In this paper we propose a novel second-order accurate well balanced scheme for shallow water equations in general covariant coordinates over manifolds. In our approach, once the gravitational field is defined for the specific case, one…

数值分析 · 数学 2022-12-08 Michele Giuliano Carlino , Elena Gaburro

This paper proposes a parallel numerical algorithm to simulate the flow and the transport in a discrete fracture network taking into account the mass exchanges with the surrounding matrix. The discretization of the Darcy fluxes is based on…

数值分析 · 数学 2016-11-18 Feng Xing , Roland Masson , Simon Lopez

We study whether fine discretization (i.e., terracing) of continuous pair interactions, when used in combination with first-order mean-spherical approximation theory, can lead to a simple and general analytical strategy for predicting the…

软凝聚态物质 · 物理学 2013-10-29 Kyle B. Hollingshead , Avni Jain , Thomas M. Truskett

Automatic segmentation of an image to identify all meaningful parts is one of the most challenging as well as useful tasks in a number of application areas. This is widely studied. Selective segmentation, less studied, aims to use limited…

数值分析 · 数学 2019-07-08 Michael Roberts , Ke Chen , Klaus L. Irion

Point containment queries for regions bound by watertight geometric surfaces, i.e., closed and without self-intersections, can be evaluated straightforwardly with a number of well-studied algorithms. When this assumption on domain geometry…

计算几何 · 计算机科学 2026-01-28 Jacob Spainhour , David Gunderman , Kenneth Weiss

A high-fidelity finite volume scheme based on the BVD (boundary variation diminishing) concept is proposed in this study to solve the ideal magnetohydrodynamics (MHD) equations. A hybrid spatial reconstruction profile, consisting of a…

流体动力学 · 物理学 2024-04-24 Pan Chenxi , Song Sheng , Chen Chungang , Li Xingliang , Shen Xueshun , Xiao Feng

In this work, an efficient blackbox-type multigrid method is proposed for solving multipoint flux approximations of the Darcy problem on logically rectangular grids. The approach is based on a cell-centered multigrid algorithm, which…

数值分析 · 数学 2024-02-13 Andrés Arrarás , Francisco J. Gaspar , Laura Portero , Carmen Rodrigo

By decoupling the geometric from the dynamical contributions in the scattering processes, we develop a method to compute the scattering matrix of electrons in a one-dimensional coherent conductor connected to two electrodes. In particular,…

量子物理 · 物理学 2025-12-10 Lorenzo Bagnasacco , Fabio Taddei , Vittorio Giovannetti

DBSCAN is a typically used clustering algorithm due to its clustering ability for arbitrarily-shaped clusters and its robustness to outliers. Generally, the complexity of DBSCAN is O(n^2) in the worst case, and it practically becomes more…

数据库 · 计算机科学 2018-01-23 Thapana Boonchoo , Xiang Ao , Qing He

We present a new compatible finite element advection scheme for the compressible Euler equations. Unlike the discretisations described in Cotter and Kuzmin (2016) and Shipton et al (2018), the discretisation uses the lowest-order family of…

数值分析 · 数学 2019-05-22 Thomas M. Bendall , Colin J. Cotter , Jemma Shipton

In this paper we propose an efficient second order well balanced finite volume method for modeling complex free surface flows at the aid of a simple diffuse interface method. The employed physical model is a two-phase model derived from the…

数值分析 · 数学 2018-08-16 Elena Gaburro , Manuel J. Castro , Michael Dumbser