anthony-wang / CrabNet

Predict materials properties using only the composition information!
https://doi.org/10.1038/s41524-021-00545-1
MIT License
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Reason to use pe_scaler and ple_scaler #37

Open grmaier opened 1 year ago

grmaier commented 1 year ago

Could you explain the reason why you use the pe_scaler and ple_scaler in the forward pass of the Encoder-class in kingcrab.py? In particular, why do you choose the form pe_scaler = 2**(1-self.pos_scaler)**2 and ple_scaler = 2**(1-self.pos_scaler_log)**2? I don't really understand why one needs these two scalers (and also self.emb_scaler) in the first place and why you chose the above exponential forms for them.