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Modularity optimization by conformational space annealing

Cited 46 time in Web of Science Cited 48 time in Scopus
Authors

Lee, Ju Yong; Gross, Steven P.; Lee, Joo Young

Issue Date
2012-05
Publisher
AMER PHYSICAL SOC
Citation
Physical Review e, Vol.85 No.5, p. 056702
Abstract
We propose a modularity optimization method, Mod-CSA, based on stochastic global optimization algorithm, conformational space annealing (CSA). Our method outperforms simulated annealing in terms of both efficiency and accuracy, finding higher modularity partitions with less computational resources required. The high modularity values found by our method are higher than, or equal to, the largest values previously reported. In addition, the method can be combined with other heuristic methods, and implemented in parallel fashion, allowing it to be applicable to large graphs with more than 10 000 nodes.
ISSN
2470-0045
URI
https://hdl.handle.net/10371/201544
DOI
https://doi.org/10.1103/PhysRevE.85.056702
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  • Graduate School of Convergence Science & Technology
  • Dept. of Molecular and Biopharmaceutical Sciences
Research Area AI models for drug discovery, Free energy calculation, Molecular dynamics, 분자동역학, 신약개발을 위한 AI 모델, 자유에너지 계산

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