kliff.nn#

class kliff.nn.Dropout(*args, **kwargs)[source]#

A Dropout layer that zeros the same element of descriptor values for all atoms.

Note torch.nn.Dropout dropout each component independently.

Parameters
  • p – float probability of an element to be zeroed. Default: 0.5

  • inplace – bool If set to True, will do this operation in-place. Default: False

Shapes:

Input: [N, D] or [1, N, D] Output: [N, D] or [1, N, D] (same as Input) The first dimension 1 is because the dataloader provides only sample each iteration.

forward(input)[source]#