Closed qzhu2017 closed 5 years ago
Still currently looking into it! With the skip connection and gg readout, I get better results, but the model never goes below an MAE of one. I'm putting together a training process similar to the AGCN repo where they train/optimize over batches of molecules as opposed to training/optimizing every specified epoch to see how the loss is fluctuating.
NN is fixed. The problem is due to incorrect assignment of output shape.
@yanxon It seems that there is a strange behavior in pytorch NN.linear method. I built a 3-layer linear neuron model from SKlearn, the results are good (pytorch->
SK-ANN.py
). But when I tried to do the same thing for pytorch, I just failed to obtain the same results. (Torch_net.py
)I think Howard met a similar issue before. Can you help me to resolve this issue?