deepmd.tf.loss.tensor

Classes

TensorLoss

Loss function for tensorial properties.

Module Contents

class deepmd.tf.loss.tensor.TensorLoss(jdata, **kwarg)

Bases: deepmd.tf.loss.loss.Loss

Loss function for tensorial properties.

tensor_name

tensor_size

label_name

local_weight

global_weight

build(learning_rate, natoms, model_dict, label_dict, suffix)

Build the loss function graph.

Parameters:

learning_ratetf.Tensor

learning rate

natomstf.Tensor

number of atoms

model_dictdict[str, tf.Tensor]

A dictionary that maps model keys to tensors

label_dictdict[str, tf.Tensor]

A dictionary that maps label keys to tensors

suffixstr

suffix

Returns:

tf.Tensor

the total squared loss

dict[str, tf.Tensor]

A dictionary that maps loss keys to more loss tensors

eval(sess, feed_dict, natoms)

Eval the loss function.

Parameters:

sesstf.Session

TensorFlow session

feed_dictdict[tf.placeholder, tf.Tensor]

A dictionary that maps graph elements to values

natomstf.Tensor

number of atoms

Returns:

dict

A dictionary that maps keys to values. It should contain key natoms

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

Return data label requirements needed for this loss calculation.