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The structure of many complex networks includes edge directionality and weights on top of their topology. Network analysis that can seamlessly consider combination of these properties are desirable. In this paper, we study two important…

社会与信息网络 · 计算机科学 2021-11-24 Frederique Oggier , Silivanxay Phetsouvanh , Anwitaman Datta

Clustering in image analysis is a central technique that allows to classify elements of an image. We describe a simple clustering technique that uses the method of similarity matrices. We expand upon recent results in spectral analysis for…

统计理论 · 数学 2022-03-23 Denis Gaidashev , Ralf Pihlström , Martin Ryner

We review the methods based on expectation value coupled cluster formalism - a common framework for the derivation of properties: the ground-state average value of an observable, cumulants of the second-order reduced density matrices,…

化学物理 · 物理学 2021-11-15 Aleksandra M. Tucholska , Robert Moszynski

We investigate the accuracy of a number of wavefunction based methods at the heart of quantum chemistry for metallic systems. Using Hartree-Fock as a reference, perturbative (M{\o}ller-Plesset, MP) and coupled cluster (CC) theories are used…

化学物理 · 物理学 2013-10-24 James J. Shepherd , Andreas Grüneis

We propose a method for computing a sewing pattern of a given 3D garment model. Our algorithm segments an input 3D garment shape into patches and computes their 2D parameterization, resulting in pattern pieces that can be cut out of fabric…

We consider a multiscale approach based on immersed methods for the efficient computational modeling of tissues composed of an elastic matrix (in two or three-dimensions) and a thin vascular structure (treated as a co-dimension two…

数值分析 · 数学 2021-11-18 Luca Heltai , Alfonso Caiazzo

We study here the semi-supervised $k$-clustering problem where information is available on whether pairs of objects are in the same or in different clusters. This information is either available with certainty or with a limited level of…

机器学习 · 计算机科学 2024-10-21 Philipp Baumann , Dorit S. Hochbaum

The problem of estimating parameters of a deterministic jump or piecewise linear model is considered. A subspace technique referred to as spectral clustering on subspace (SCS) algorithm is proposed to estimate a set of linear model…

统计方法学 · 统计学 2013-07-02 Liang Li , Wei Dong , Yindong Ji , Lang Tong

We explore various ways to group orbitals into clusters in a matrix product state (MPS). We explain how a generic cluster MPS can often lead to an increase in computational cost and instead propose a special cluster structure, involving…

化学物理 · 物理学 2022-10-03 Henrik R. Larsson , Huanchen Zhai , Klaas Gunst , Garnet Kin-Lic Chan

The clothing procedure, put forward in quantum field theory by Greenberg and Schweber, is applied for the description of nucleon-nucleon (N-N) scattering. We consider pseudoscalar, vector and scalar meson fields interacting with 1/2 spin…

核理论 · 物理学 2015-05-19 I. Dubovyk , A. Shebeko

Coupled cluster theory has had a momentous impact on the ab initio prediction of molecular properties, and remains a staple ingratiate in high-accuracy thermochemical model chemistries. However, these methods require inclusion of at least…

化学物理 · 物理学 2025-03-26 James H. Thorpe , Zachary W. Windom , Rodney J. Bartlett , Devin A. Matthews

Adapting a veritable many-body method to a system of non-interacting particles (NIP), while being trivial from a physical point of view, can be of interest with regard to methodological aspects. In this article we study the NIP versions of…

化学物理 · 物理学 2023-11-07 Jochen Schirmer

The dynamics associated with the time series of the iteration scheme of coupled cluster theory has been analysed. The phase space analysis indicates the presence of a few significant cluster amplitudes, mostly involving valence excitations,…

强关联电子 · 物理学 2021-02-24 Valay Agarawal , Samrendra Roy , Anish Chakraborty , Rahul Maitra

This paper proposes a variant of the method of Gu\'edon and Verhynin for estimating the cluster matrix in the Mixture of Gaussians framework via Semi-Definite Programming. A clustering oriented embedding is deduced from this estimate. The…

机器学习 · 统计学 2016-06-30 Stéphane Chrétien , Clément Dombry , Adrien Faivre

Highly accurate methods such as coupled cluster (CC) techniques can be used for periodic systems within the framework of the method of increments. Its extension to low-dimensional conducting system is considered. To demonstrate the…

材料科学 · 物理学 2012-01-31 Elena Voloshina

Unitary Coupled Cluster (UCC) theory is a promising variational method for electronic structure calculations, especially for strongly correlated systems and quantum computers. However, its practical application is limited by the steep…

化学物理 · 物理学 2026-02-05 Prateek Vaish , Brenda Rubenstein

A dressing method is applied to a matrix Lax pair for the Camassa-Holm equation, thereby allowing for the construction of several global solutions of the system. In particular solutions of system of soliton and cuspon type are constructed…

可精确求解与可积系统 · 物理学 2019-09-04 Rossen Ivanov , Tony Lyons , Nigel Orr

Protein representation learning is a challenging task that aims to capture the structure and function of proteins from their amino acid sequences. Previous methods largely ignored the fact that not all amino acids are equally important for…

机器学习 · 计算机科学 2024-04-02 Ruijie Quan , Wenguan Wang , Fan Ma , Hehe Fan , Yi Yang

Coupled-cluster theory is a powerful tool for first-principles calculations of atomic nuclei, enabling accurate predictions of nuclear observables across the Segr\`e chart. While coupled-cluster computations are especially efficient at…

核理论 · 物理学 2026-04-08 F. Marino , F. Bonaiti , P. Demol , S. Bacca , T. Duguet , G. Hagen , G. R. Jansen , T. Papenbrock , A. Tichai

An algorithm, based on numerical description of the terms of many-body perturbation theory (Goldstone diagrams), is presented. The algorithm allows the use of the same piece of computer code to evaluate any particular diagram in any…

原子物理 · 物理学 2015-05-13 V. A. Dzuba