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We present a first-principles scheme that allows the orbital magnetization of a magnetic crystal to be evaluated accurately and efficiently even in the presence of complex Fermi surfaces. Starting from an initial electronic-structure…

材料科学 · 物理学 2012-02-03 M. G. Lopez , David Vanderbilt , T. Thonhauser , Ivo Souza

An algorithm for non-stationary spatial modelling using multiple secondary variables is developed. It combines Geostatistics with Quantile Random Forests to give a new interpolation and stochastic simulation algorithm. This paper introduces…

统计方法学 · 统计学 2022-01-13 Colin Daly

Considering that the physical design of printed circuit board (PCB) follows the principle of modularized design, this paper proposes an automatic placement algorithm for functional modules. We first model the placement problem as a…

其他计算机科学 · 计算机科学 2025-02-21 Hangyuan Li , Zhaoyang Yang , Haotian Pang , Ning Xu , Yu Chen

A new method for the localization of crystalline orbitals for entangled energy bands is proposed. It is an extension of the Wannier-Boys algorithm [C. M. Zicovich-Wilson, R. Dovesi, and V. R. Saunders, J. Chem. Phys. 115, 9708 (2001)] which…

材料科学 · 物理学 2009-01-07 Uwe Birkenheuer , Dmitry Izotov

Phasor Measurement Units (PMUs) are essential measuring devices for monitoring, control and protection of power systems. The objective of the optimal PMU placement (OPP) problem is to minimize the number of PMUs and select the bus locations…

最优化与控制 · 数学 2015-08-25 Nikolaos Theodorakatos , Nikolaos Manousakis , George Korres

Quadratic programming (QP) underpins real-time robotics by enabling efficient, constrained optimization in state estimation, motion planning, and control. In legged locomotion and manipulation, essential modules like inverse dynamics, Model…

机器人学 · 计算机科学 2025-12-15 Van Nam Dinh

The aim of this paper is to investigate the use of an entropic projection method for the iterative regularization of linear ill-posed problems. We derive a closed form solution for the iterates and analyze their convergence behaviour both…

最优化与控制 · 数学 2020-01-29 Martin Burger , Elena Resmerita , Martin Benning

In this paper we present a systematic study of continuous local iterated function systems. We prove local iterated function systems admit compact attractors and, under a contractivity assumption, construct their code space and present an…

动力系统 · 数学 2026-01-13 Elismar R. Oliveira , Paulo Varandas

Shepard method is a fast algorithm that has been classically used to interpolate scattered data in several dimensions. This is an important and well-known technique in numerical analysis founded in the main idea that data that is far away…

数值分析 · 数学 2024-12-04 David Levin , José M. Ramón , Juan Ruiz-Alvarez , Dionisio F. Yáñez

The approximation properties of the finite element method can often be substantially improved by choosing smooth high-order basis functions. It is extremely difficult to devise such basis functions for partitions consisting of arbitrarily…

数值分析 · 数学 2021-01-18 Eky Febrianto , Michael Ortiz , Fehmi Cirak

This paper introduces an input-output bilinear Koopman realization with an optimization algorithm of lifting functions. For nonlinear systems with inputs, Koopman-based modeling is effective because the Koopman operator enables a…

系统与控制 · 电气工程与系统科学 2026-02-18 Shuichi Yahagi , Ansei Yonezawa , Heisei Yonezawa , Hiroki Seto , Itsuro Kajiwara

Inducing-point-based sparse variational Gaussian processes have become the standard workhorse for scaling up GP models. Recent advances show that these methods can be improved by introducing a diagonal scaling matrix to the conditional…

机器学习 · 统计学 2025-07-04 Thang D. Bui , Michalis K. Titsias

This work concerns the zeroth-order global minimization of continuous nonconvex functions with a unique global minimizer and possibly multiple local minimizers. We formulate a theoretical framework for inexact proximal point (IPP) methods…

最优化与控制 · 数学 2025-06-03 Minxin Zhang , Fuqun Han , Yat Tin Chow , Stanley Osher , Hayden Schaeffer

Many probabilistic inference tasks involve summations over exponentially large sets. Recently, it has been shown that these problems can be reduced to solving a polynomial number of MAP inference queries for a model augmented with randomly…

人工智能 · 计算机科学 2013-09-27 Stefano Ermon , Carla P. Gomes , Ashish Sabharwal , Bart Selman

The momentum-space derivatives of Bloch wavefunctions are essential for studying quantum geometry and the equilibrium and response properties of solids. In practical first-principles calculations, these derivatives are obtained via Wannier…

材料科学 · 物理学 2026-04-27 Jae-Mo Lihm , Minsu Ghim , Seung-Ju Hong , Cheol-Hwan Park

We propose a numerical method using the discrete variable representation (DVR) for constructing real-valued Wannier functions localized in a unit cell for both symmetric and asymmetric periodic potentials. We apply these results to finding…

量子气体 · 物理学 2016-09-14 Saurabh Paul , Eite Tiesinga

In this paper we propose an algorithm for the formation of matrices of isogeometric Galerkin methods. The algorithm is based on three ideas. The first is that we perform the external loop over the rows of the matrix. The second is that we…

数值分析 · 数学 2017-04-05 Francesco Calabrò , Giancarlo Sangalli , Mattia Tani

In this work, with combined belief propagation (BP), mean field (MF) and expectation propagation (EP), an iterative receiver is designed for joint phase noise (PN) estimation, equalization and decoding in a coded communication system. The…

信息论 · 计算机科学 2016-09-07 Wei Wang , Zhongyong Wang , Chuanzong Zhang , Qinghua Guo , Peng Sun , Xingye Wang

Expectation Propagation (Minka, 2001) is a widely successful algorithm for variational inference. EP is an iterative algorithm used to approximate complicated distributions, typically to find a Gaussian approximation of posterior…

统计计算 · 统计学 2016-04-01 Guillaume Dehaene , Simon Barthelmé

The suboptimal physical design of the integrated circuits may not only increase the manufacturing costs due to the larger size of the chip but can also impact its performance by placing interconnected rectangular devices too far from each…

其他计算机科学 · 计算机科学 2024-10-23 Josef Grus , Zdeněk Hanzálek