理论(学习稳定性)
材料科学
化学工程
化学
矿物学
计算机科学
工程类
机器学习
作者
Long Wan,Pinqiang Cao,Jianlong Sheng
出处
期刊:Langmuir
[American Chemical Society]
日期:2024-10-09
卷期号:40 (42): 22058-22067
标识
DOI:10.1021/acs.langmuir.4c02357
摘要
Understanding the phase stability of gas hydrates under confinement is fundamental to the geological stability evolutions of gas hydrate systems on Earth. Herein, the phase stability of CH4 and CO2 hydrates under confinement is predicted by machine learning. Three machine learning models, including support vector machine, random forest, and gradient boosting decision tree, are constructed to predict the phase stability of CH4 and CO2 hydrates under confinement. Our machine learning results show that the prediction accuracy of the support vector machine model is highest, yet the prediction accuracy of the random forest model is lowest among those machine learning models in determining the phase stability of confined gas hydrates. Based on their performance in predicting the phase stability of confined gas hydrates, the support vector machine model with a training set fraction of 0.7 is finally chosen to deal with the unknown phase stability of confined gas hydrates. Importantly, the average accuracy of the support vector machine model can reach more than 90% in predicting the unknown phase stability of both CH4 and CO2 hydrates. The trained machine learning models can help us to quickly and accurately determine the phase stability of CH4 and CO2 hydrates under confinement in future applications.
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