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In this tutorial-style review we discuss basic concepts of coupled cluster theory and recent developments that increase its computational efficiency for calculations of molecules, solids and materials in general. We will touch upon the…

材料科学 · 物理学 2020-04-15 Igor Ying Zhang , Andreas Grüneis

In this paper, we propose the distributed tree kernels (DTK) as a novel method to reduce time and space complexity of tree kernels. Using a linear complexity algorithm to compute vectors for trees, we embed feature spaces of tree fragments…

机器学习 · 计算机科学 2012-06-22 Fabio Massimo Zanzotto , Lorenzo Dell'Arciprete

Since the release of human genome sequences, one of the most important research issues is about indexing the genome sequences, and the suffix tree is most widely adopted for that purpose. The traditional suffix tree construction algorithms…

数据库 · 计算机科学 2015-05-20 Woong-Kee Loh , Yang-Sae Moon , Wookey Lee

We present an efficient and exact Monte Carlo algorithm to simulate reversible aggregation of particles with dedicated binding sites. This method introduces a novel data structure of dynamic bond tree to record clusters and sequences of…

定量方法 · 定量生物学 2011-09-27 Qiang Chang , Jin Yang

We propose a method for linear-time diversity maintenance in particle filtering. It clusters particles based on ancestry tree topology: closely related particles in sufficiently large subtrees are grouped together. The main idea is that the…

机器人学 · 计算机科学 2025-09-30 Ilari Vallivaara , Bingnan Duan , Yinhuan Dong , Tughrul Arslan

We present here a new algorithm for the fast computation of N-point correlation functions in large astronomical data sets. The algorithm is based on kdtrees which are decorated with cached sufficient statistics thus allowing for orders of…

We present a new algorithm to rapidly compute the two-point (2PCF), three-point (3PCF) and n-point (n-PCF) correlation functions in roughly O(N log N) time for N particles, instead of O(N^n) as required by brute force approaches. The…

天体物理学 · 物理学 2007-05-23 Lucy Liuxuan Zhang , Ue-Li Pen

Algorithmic meta-theorems, stating that graph properties expressible in some particular logic can be decided efficiently in graph classes having some specific structural properties, are now standard in sequential graph algorithms. One of…

数据结构与算法 · 计算机科学 2025-07-16 Benjamin Jauregui , Jason Li , Pedro Montealegre , Ioan Todinca

Airborne discrete return light detection and ranging (LiDAR) point clouds covering forested areas can be processed to segment individual trees and retrieve their morphological attributes. Segmenting individual trees in natural deciduous…

计算机视觉与模式识别 · 计算机科学 2017-08-01 Hamid Hamraz , Marco A. Contreras

Coagulation-fragmentation processes describe the stochastic association and dissociation of particles in clusters. Cluster dynamics with cluster-cluster interactions for a finite number of particles has recently attracted attention…

概率论 · 数学 2016-11-22 Nathanael Hoze , David Holcman

Given a collection of points in R^3, KD-Tree and R-Tree are well-known nearest neighbor search (NNS) algorithms that rely on space partitioning and spatial indexing techniques. However, when the query point is far from the data points or…

计算几何 · 计算机科学 2025-07-30 Pengfei Wang , Jiantao Song , Shiqing Xin , Shuangmin Chen , Changhe Tu , Wenping Wang , Jiaye Wang

With the development of low order scaling methods for performing Kohn-Sham Density Functional Theory, it is now possible to perform fully quantum mechanical calculations of systems containing tens of thousands of atoms. However, with an…

化学物理 · 物理学 2020-04-03 William Dawson , Stephan Mohr , Laura E. Ratcliff , Takahito Nakajima , Luigi Genovese

We present algorithms for distributed verification and silent-stabilization of a DFS(Depth First Search) spanning tree of a connected network. Computing and maintaining such a DFS tree is an important task, e.g., for constructing efficient…

分布式、并行与集群计算 · 计算机科学 2014-12-19 Shay Kutten , Chhaya Trehan

The problem of {\em efficiently} finding the best match for a query in a given set with respect to the Euclidean distance or the cosine similarity has been extensively studied in literature. However, a closely related problem of efficiently…

计算几何 · 计算机科学 2021-06-24 Parikshit Ram , Alexander G. Gray

Cosmological perturbation theory is a powerful tool to predict the statistics of large-scale structure in the weakly non-linear regime, but even at 1-loop order it results in computationally expensive mode-coupling integrals. Here we…

宇宙学与河外天体物理 · 物理学 2017-02-17 Xiao Fang , Jonathan A. Blazek , Joseph E. McEwen , Christopher M. Hirata

In dual decomposition, the dual to an optimization problem with a specific structure is solved in distributed fashion using (sub)gradient and recently also fast gradient methods. The traditional dual decomposition suffers from two main…

最优化与控制 · 数学 2014-04-08 Pontus Giselsson

The analysis of the internal structure of trees is highly important for both forest experts, biological scientists, and the wood industry. Traditionally, CT-scanners are considered as the most efficient way to get an accurate inner…

计算机视觉与模式识别 · 计算机科学 2020-02-12 Mohamed Mejri , Antoine Richard , Cédric Pradalier

We propose a novel application of coded computing to the problem of the nearest neighbor estimation using MatDot Codes [Fahim. et.al. 2017], that are known to be optimal for matrix multiplication in terms of recovery threshold under storage…

This paper presents a distributed algorithm to simultaneously compute the diameter, radius and node eccentricity in all nodes of a synchronous network. Such topological information may be useful as input to configure other algorithms.…

分布式、并行与集群计算 · 计算机科学 2013-05-10 Paulo Sérgio Almeida , Carlos Baquero , Alcino Cunha

Joint distributions over many variables are frequently modeled by decomposing them into products of simpler, lower-dimensional conditional distributions, such as in sparsely connected Bayesian networks. However, automatically learning such…

机器学习 · 计算机科学 2013-01-07 Scott Davies , Andrew Moore