deepmd.pt.loss.tensor

Classes

TensorLoss

Helper class that provides a standard way to create an ABC using

Module Contents

class deepmd.pt.loss.tensor.TensorLoss(tensor_name: str, tensor_size: int, label_name: str, pref_atomic: float = 0.0, pref: float = 0.0, inference=False, **kwargs)

Bases: deepmd.pt.loss.loss.TaskLoss

Helper class that provides a standard way to create an ABC using inheritance.

tensor_name

tensor_size

label_name

local_weight

global_weight

inference

has_local_weight

has_global_weight

forward(input_dict, model, label, natoms, learning_rate=0.0, mae=False)

Return loss on local and global tensors.

Parameters:

input_dictdict[str, torch.Tensor]

Model inputs.

modeltorch.nn.Module

Model to be used to output the predictions.

labeldict[str, torch.Tensor]

Labels.

natomsint

The local atom number.

Returns:

model_pred: dict[str, torch.Tensor]

Model predictions.

loss: torch.Tensor

Loss for model to minimize.

more_loss: dict[str, torch.Tensor]

Other losses for display.

property label_requirement: list[deepmd.utils.data.DataRequirementItem]

Return data label requirements needed for this loss calculation.