The setting of hyperparameters to get the best performance

[A-zhudong]

Hi Tian:
I have tried to reproduce your result like "MAE_model = 0.039" using your dataset.

The best MAE’s we achieved with Eq. 4 and Eq. 5 are 0.136 eV/atom and 0.039 eV/atom

But it is hard to set the hyperparameters correctly. Could you please share your settings of hypermeters?

Thank you and looking forward to your reply.

[txie-93]

I think you probably need to have many more epochs. The default number of epochs is 30 which is too small. Try setting --epochs to 1000 and see if it improves your performance.

[A-zhudong]

I think you probably need to have many more epochs. The default number of epochs is 30 which is too small. Try setting --epochs to 1000 and see if it improves your performance.

Thank you for your reply. The MAE decreased a lot. 感谢