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多主管委员会能够直接预测原子基础模型的不确定性.

Hubert Beck1, Pavol Simko1, Lars L Schaaf2,3

  • 1Charles University, Faculty of Mathematics and Physics, Ke Karlovu 3, 121 16 Prague 2, Czech Republic.

The Journal of chemical physics
|December 15, 2025
PubMed
概括

本研究介绍了一个委员会神经网络的潜力,使用MACE进行材料建模中的高效不确定性预测. 这种方法准确地估计了模型不确定性,并使基础模型的培训数据减少得很大.

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