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多任务前神经网络用于在小样本大小下预测热力学性质.

Gezhao Sang1,2, Zhengyi Xu1,2, Jianming Wei1,2

  • 1Shanghai Advanced Research Institute, Chinese Academy of Sciences, Shanghai 201210, China.

The journal of physical chemistry. A
|January 16, 2026
PubMed
概括

这项研究介绍了ThermoMTLnet,这是一种用于预测危险化学品热力学性质的新型机器学习模型. 它在小样本场景中表现出色,提高了爆炸建模的准确性和概括性.

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