Error Estimation for Material Simulation Data Based on Hybrid Learning Algorithm

Authors

Wang Juan, 1. Computer Network Information Center, Chinese Academy of Sciences, Beijing 100190, China; ;2. University of Chinese Academy of Sciences, Beijing 100049, China;
Xiaoyu Yang, 1. Computer Network Information Center, Chinese Academy of Sciences, Beijing 100190, China; ;
Zongguo Wang, 1. Computer Network Information Center, Chinese Academy of Sciences, Beijing 100190, China; ;
Ren Jie, 1. Computer Network Information Center, Chinese Academy of Sciences, Beijing 100190, China; ;2. University of Chinese Academy of Sciences, Beijing 100049, China;
Xushan Zhao, 1. Computer Network Information Center, Chinese Academy of Sciences, Beijing 100190, China; ;

Abstract

Abstract: In order to obtain high quality material simulation data from Density Functional Theory material calculation software package, a modeling method based on BP neural network was proposed to build model estimating the error of material simulation data. A novel hybrid algorithm combining simple particle swarm optimization algorithm that excludes speed item with BP algorithm, also referred to tsPSO-BP, was proposed to optimize the connection weights of the BP neural network. The hybrid learning algorithm not only makes use of strong global searching ability of the PSO, but also strong local searching ability of the BP algorithm. The BP neural network model was trained using tsPSO-BP on the dataset of experimental and calculation data of elastic constants for binary alloys with cubic crystal system, and the results show that the prediction accuracy of the error of C₁₁, C₁₂ and C₄₄ were 88.19%, 87.83% and 88.26%, respectively.

Recommended Citation

Juan, Wang; Yang, Xiaoyu; Wang, Zongguo; Jie, Ren; and Zhao, Xushan (2019) "Error Estimation for Material Simulation Data Based on Hybrid Learning Algorithm," Journal of System Simulation: Vol. 30: Iss. 10, Article 30.
DOI: 10.16182/j.issn1004731x.joss.201810030
Available at: https://dc-china-simulation.researchcommons.org/journal/vol30/iss10/30

First Page

3843

Revised Date

2016-12-19

DOI Link

https://doi.org/10.16182/j.issn1004731x.joss.201810030

Last Page

3853

CLC

TP183;TP391.9

Recommended Citation

Wang Juan, Yang Xiaoyu, Wang Zongguo, Ren Jie, Zhao Xushan. Error Estimation for Material Simulation Data Based on Hybrid Learning Algorithm[J]. Journal of System Simulation, 2018, 30(10): 3843-3853.

DOI

10.16182/j.issn1004731x.joss.201810030