Acta Physica Sinica, Volume. 68, Issue 21, 210502-1(2019)

High critical transition temperature of lead-based perovskite ferroelectric crystals: A machine learning study

Zi-Xin Yang, Zhang-Ran Gao, Xiao-Fan Sun, Hong-Ling Cai, Feng-Ming Zhang, and Xiao-Shan Wu*
Figures & Tables(7)
Optimization of hyperparameters in support vector regression and the analysis of the number of support vectors支持向量回归中的超参数ε的优化及支持向量数目分析
Performance of ensembled model with different base model weight.不同模型权重的融合实验结果
Comparison of prediction and experimental values of three machine learning models and their ensemble models.三种机器学习模型及其集成模型对材料的预测值与实验值的比较
Five most important features in ETR.ETR模型中最重要的5项特征
Prediction of Curie temperature of PGN-PMN-PT solid solution by ensemble machine learning model集成机器学习模型对PGN-PMN-PT固溶体的居里温度的预测
  • Table 1.

    Hyperparameters of the three machine learning methods in this study.

    本文三种机器学习方法所采用的超参数

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    Table 1.

    Hyperparameters of the three machine learning methods in this study.

    本文三种机器学习方法所采用的超参数

    模型超参数
    KRR$\lambda $ = 0.001, $\gamma $ = 0.005
    SVR$\gamma $ = 0.02, ε = 4, C = 900
    ETRn = 108, depth = 20, min_samples = 2
  • Table 2.

    Evaluation of machine learning methods in this paper and the comparison with other works.

    本文所使用的机器学习方法的评估及与其他研究者工作的对比

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    View in Article

    Table 2.

    Evaluation of machine learning methods in this paper and the comparison with other works.

    本文所使用的机器学习方法的评估及与其他研究者工作的对比

    模型对比
    KRRSVRETR集成 模型 文献[10] 文献[11]
    MAE/K14.414.716.113.930.221.2
    RMSE/K22.523.423.821.428.7
    相关系数0.960.960.960.970.85
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Zi-Xin Yang, Zhang-Ran Gao, Xiao-Fan Sun, Hong-Ling Cai, Feng-Ming Zhang, Xiao-Shan Wu. High critical transition temperature of lead-based perovskite ferroelectric crystals: A machine learning study[J]. Acta Physica Sinica, 2019, 68(21): 210502-1

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Paper Information

Received: Jun. 18, 2019

Accepted: --

Published Online: Sep. 17, 2020

The Author Email:

DOI:10.7498/aps.68.20190942

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