中国物理B(英文版)2024,Vol.33Issue(7) :277-283.DOI:10.1088/1674-1056/ad4328

Physical information-enhanced graph neural network for predicting phase separation

张亚强 王煦文 王雅楠 郑文
中国物理B(英文版)2024,Vol.33Issue(7) :277-283.DOI:10.1088/1674-1056/ad4328

Physical information-enhanced graph neural network for predicting phase separation

张亚强 1王煦文 1王雅楠 1郑文2
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作者信息

  • 1. Institute of Public-Safety and Big Data,College of Computer Science and Technology(College of Data Science),Taiyuan University of Technology,Jinzhong 030600,China
  • 2. Institute of Public-Safety and Big Data,College of Computer Science and Technology(College of Data Science),Taiyuan University of Technology,Jinzhong 030600,China;Shanxi Engineering Research Centre for Intelligent Data Assisted Treatment,Changzhi Medical College,Changzhi 046000,China;Innovation Academy for Microsatellites of Chinese Academy of Sciences,Shanghai 200050,China
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Abstract

Although phase separation is a ubiquitous phenomenon,the interactions between multiple components make it diffi-cult to accurately model and predict.In recent years,machine learning has been widely used in physics simulations.Here,we present a physical information-enhanced graph neural network(PIENet)to simulate and predict the evolution of phase separation.The accuracy of our model in predicting particle positions is improved by 40.3%and 51.77%compared with CNN and SVM respectively.Moreover,we design an order parameter based on local density to measure the evolution of phase separation and analyze the systematic changes with different repulsion coefficients and different Schmidt numbers.The results demonstrate that our model can achieve long-term accurate predictions of order parameters without requiring complex handcrafted features.These results prove that graph neural networks can become new tools and methods for predicting the structure and properties of complex physical systems.

Key words

graph neural network/phase separation/machine learning/dissipative particle dynamics

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基金项目

National Natural Science Foundation of China(11702289)

Key Core Technology and Generic Technology Research and Development Project of Shanxi Province,China(2020XXX013)

出版年

2024
中国物理B(英文版)
中国物理学会和中国科学院物理研究所

中国物理B(英文版)

CSTPCDEI
影响因子:0.995
ISSN:1674-1056
参考文献量40
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