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In many cellular signaling pathways, key components form clusters at the cell membrane. Although much work has focused on the mechanisms behind such cluster formation, the implications for downstream signaling remain poorly understood.…

Molecular Networks · Quantitative Biology 2012-03-14 Andrew Mugler , Aimee Gotway Bailey , Koichi Takahashi , Pieter Rein ten Wolde

The proposed distributed dynamic clustering algorithm enables to group agents based on their pre-selected feature states. The clusters are determined by comparing the distance of the agents' current feature states with average estimates of…

Systems and Control · Electrical Eng. & Systems 2024-12-20 Runfan Zhang , Branislav Hredzak

The fragmentation of quasi-projectiles from the nuclear reaction $^{40}$Ca+$^{12}$C at 25 MeV per nucleon bombarding energy was used to produce $\alpha$-emission sources. From a careful selection of these sources provided by a complete…

We discuss a new Monte Carlo algorithm for the simulation of complex fluids. This algorithm employs geometric operations to identify clusters of particles that can be moved in a rejection-free way. It is demonstrated that this geometric…

Statistical Mechanics · Physics 2015-06-25 Erik Luijten , Jiwen Liu

Approximate Spectral Clustering (ASC) is a popular and successful heuristic for partitioning the nodes of a graph $G$ into clusters for which the ratio of outside connections compared to the volume (sum of degrees) is small. ASC consists of…

Discrete Mathematics · Computer Science 2018-07-31 Pavel Kolev , Kurt Mehlhorn

The cluster-in-molecule (CIM) local correlation approach with an accurate distant pair correlation energy correction is presented. For large systems, the inclusion of distant pair correlation energies is essential for the accurate…

Chemical Physics · Physics 2020-08-06 Zhigang Ni , Yang Guo , Frank Neese , Wei Li , Shuhua Li

We develop a novel graph-based trainable framework to maximize the weighted sum energy efficiency (WSEE) for power allocation in wireless communication networks. To address the non-convex nature of the problem, the proposed method consists…

Systems and Control · Electrical Eng. & Systems 2023-04-19 Boning Li , Gunjan Verma , Santiago Segarra

Approximate Bayes Computations (ABC) are used for parameter inference when the likelihood function of the model is expensive to evaluate but relatively cheap to sample from. In particle ABC, an ensemble of particles in the product space of…

Computation · Statistics 2016-04-15 Carlo Albert , Hans R. Kuensch , Andreas Scheidegger

The processes of defect formation and annealing in fullerene C60 at T=(4000-6000)K are studied by the molecular dynamics technique with a tight-binding potential. The cluster lifetime until fragmentation due to the loss of a C2 dimer has…

Mesoscale and Nanoscale Physics · Physics 2015-06-25 L. A. Openov , A. I. Podlivaev

We study the clustering problem for mixtures of bounded covariance distributions, under a fine-grained separation assumption. Specifically, given samples from a $k$-component mixture distribution $D = \sum_{i =1}^k w_i P_i$, where each $w_i…

Machine Learning · Computer Science 2023-12-20 Ilias Diakonikolas , Daniel M. Kane , Jasper C. H. Lee , Thanasis Pittas

A method for studying the qualitative dynamical properties of abstract computing machines based on the approximation of their program-size complexity using a general lossless compression algorithm is presented. It is shown that the…

Computational Complexity · Computer Science 2011-01-24 Hector Zenil

Simulating energy systems is vital for energy planning to understand the effects of fluctuating renewable energy sources and integration of multiple energy sectors. Capacity expansion is a powerful tool for energy analysts and consists of…

Systems and Control · Electrical Eng. & Systems 2020-12-21 Mette Gamst , Stefanie Buchholz , David Pisinger

Recent very large molecular dynamics simulations of homogeneous nucleation with $(1-8) \cdot 10^9$ Lennard-Jones atoms [Diemand et al. J. Chem. Phys. {\bf 139}, 074309 (2013)] allow us to accurately determine the formation free energy of…

Atomic and Molecular Clusters · Physics 2015-06-19 Kyoko K. Tanaka , Jürg Diemand , Raymond Angélil , Hidekazu Tanaka

A global search for possible LiF cluster structures is performed, up to (LiF)8. The method is based on simulated annealing, where all the energies are evaluated on the ab initio level. In addition, the threshold algorithm is employed to…

Materials Science · Physics 2010-07-21 K. Doll , J. C. Schoen , M. Jansen

The formation/binding energetics and length scales associated with the interaction between He atoms and grain boundaries in BCC alpha-Fe was explored. Ten different low Sigma grain boundaries from the <100> and <110> symmetric tilt grain…

Materials Science · Physics 2014-01-23 M. A. Tschopp , F. Gao , L. Yang , K. N. Solanki

We introduce a method for solving a self consistent electronic calculation within localized atomic orbitals, that allows us to converge to the complete basis set (CBS) limit in a stable, controlled, and systematic way. We compare our…

Strongly Correlated Electrons · Physics 2015-05-19 S. Azadi , C. Cavazzoni , S. Sorella

Scrupulous theoretical study of 8Be nucleus states, both clustered and non-clustered, is performed over a wide range of the excitation energies. The quantities which characterize the degree of the alpha-clustering of these states:…

Nuclear Theory · Physics 2020-12-30 D. M. Rodkin , Yu. M. Tchuvil'sky

Using statistical learning methods to analyze stochastic simulation outputs can significantly enhance decision-making by uncovering relationships between different simulated systems and between a system's inputs and outputs. We focus on…

Methodology · Statistics 2026-05-28 Mohammadmahdi Ghasemloo , David J. Eckman

We investigate the interplay of particle number, N, and structural properties of selected clusters with N=12 up to N=562 by employing Gupta potentials parameterized for Aluminum and extensive Monte-Carlo simulations. Our analysis focuses on…

Materials Science · Physics 2015-05-14 A. Bagrets , R. Werner , F. Evers , G. Schneider , D. Schooss , P. Woelfle

A new algorithm for simulating compact U(1) lattice gauge theory in three dimensions is presented which is based on global changes in the configuration space. We show that this algorithm provides an effective way to extract partition…

High Energy Physics - Lattice · Physics 2009-11-10 F. Alet , B. Lucini , M. Vettorazzo