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support initilize parameters from a fitting with suffix #1885

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Merged
wanghan-iapcm merged 3 commits into from
Sep 2, 2022
Merged

support initilize parameters from a fitting with suffix #1885

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05dceed
support initilize parameters from a fitting with suffix
njzjz Sep 1, 2022
130f24b
update docstrings
njzjz Sep 1, 2022
e2493f0
add support for dipole and polar
njzjz Sep 1, 2022
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4 changes: 2 additions & 2 deletions deepmd/fit/dipole.py
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Original file line number Diff line number Diff line change
Expand Up @@ -182,7 +182,7 @@ def init_variables(self,
suffix : str
suffix to name scope
"""
self.fitting_net_variables = get_fitting_net_variables_from_graph_def(graph_def)
self.fitting_net_variables = get_fitting_net_variables_from_graph_def(graph_def, suffix=suffix)


def enable_mixed_precision(self, mixed_prec : dict = None) -> None:
Expand All @@ -195,4 +195,4 @@ def enable_mixed_precision(self, mixed_prec : dict = None) -> None:
The mixed precision setting used in the embedding net
"""
self.mixed_prec = mixed_prec
self.fitting_precision = get_precision(mixed_prec['output_prec'])
self.fitting_precision = get_precision(mixed_prec['output_prec'])
2 changes: 1 addition & 1 deletion deepmd/fit/ener.py
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Original file line number Diff line number Diff line change
Expand Up @@ -538,7 +538,7 @@ def init_variables(self,
suffix : str
suffix to name scope
"""
self.fitting_net_variables = get_fitting_net_variables_from_graph_def(graph_def)
self.fitting_net_variables = get_fitting_net_variables_from_graph_def(graph_def, suffix=suffix)
if self.numb_fparam > 0:
self.fparam_avg = get_tensor_by_name_from_graph(graph, 'fitting_attr%s/t_fparam_avg' % suffix)
self.fparam_inv_std = get_tensor_by_name_from_graph(graph, 'fitting_attr%s/t_fparam_istd' % suffix)
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2 changes: 1 addition & 1 deletion deepmd/fit/polar.py
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Original file line number Diff line number Diff line change
Expand Up @@ -389,7 +389,7 @@ def init_variables(self,
suffix : str
suffix to name scope
"""
self.fitting_net_variables = get_fitting_net_variables_from_graph_def(graph_def)
self.fitting_net_variables = get_fitting_net_variables_from_graph_def(graph_def, suffix=suffix)


def enable_mixed_precision(self, mixed_prec : dict = None) -> None:
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25 changes: 19 additions & 6 deletions deepmd/utils/graph.py
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Expand Up @@ -238,21 +238,30 @@ def get_embedding_net_variables(model_file : str, suffix: str = "") -> Dict:
return get_embedding_net_variables_from_graph_def(graph_def, suffix=suffix)


def get_fitting_net_nodes_from_graph_def(graph_def: tf.GraphDef) -> Dict:
def get_fitting_net_nodes_from_graph_def(graph_def: tf.GraphDef, suffix: str = "") -> Dict:
"""
Get the fitting net nodes with the given tf.GraphDef object

Parameters
----------
graph_def
The input tf.GraphDef object
suffix
suffix of the scope

Returns
----------
Dict
The fitting net nodes within the given tf.GraphDef object
"""
fitting_net_nodes = get_pattern_nodes_from_graph_def(graph_def, FITTING_NET_PATTERN)
if suffix != "":
fitting_net_pattern = FITTING_NET_PATTERN\
.replace('/idt', suffix + '/idt')\
.replace('/bias', suffix + '/bias')\
.replace('/matrix', suffix + '/matrix')
else:
fitting_net_pattern = FITTING_NET_PATTERN
fitting_net_nodes = get_pattern_nodes_from_graph_def(graph_def, fitting_net_pattern)
for key in fitting_net_nodes.keys():
assert key.find('bias') > 0 or key.find('matrix') > 0 or key.find(
'idt') > 0, "currently, only support weight matrix, bias and idt at the model compression process!"
Expand All @@ -277,22 +286,24 @@ def get_fitting_net_nodes(model_file : str) -> Dict:
return get_fitting_net_nodes_from_graph_def(graph_def)


def get_fitting_net_variables_from_graph_def(graph_def : tf.GraphDef) -> Dict:
def get_fitting_net_variables_from_graph_def(graph_def : tf.GraphDef, suffix: str = "") -> Dict:
"""
Get the fitting net variables with the given tf.GraphDef object

Parameters
----------
graph_def
The input tf.GraphDef object
suffix
suffix of the scope

Returns
----------
Dict
The fitting net variables within the given tf.GraphDef object
"""
fitting_net_variables = {}
fitting_net_nodes = get_fitting_net_nodes_from_graph_def(graph_def)
fitting_net_nodes = get_fitting_net_nodes_from_graph_def(graph_def, suffix=suffix)
for item in fitting_net_nodes:
node = fitting_net_nodes[item]
dtype= tf.as_dtype(node.dtype).as_numpy_dtype
Expand All @@ -304,22 +315,24 @@ def get_fitting_net_variables_from_graph_def(graph_def : tf.GraphDef) -> Dict:
fitting_net_variables[item] = np.reshape(tensor_value, tensor_shape)
return fitting_net_variables

def get_fitting_net_variables(model_file : str) -> Dict:
def get_fitting_net_variables(model_file : str, suffix: str = "") -> Dict:
"""
Get the fitting net variables with the given frozen model(model_file)

Parameters
----------
model_file
The input frozen model path
suffix
suffix of the scope

Returns
----------
Dict
The fitting net variables within the given frozen model
"""
_, graph_def = load_graph_def(model_file)
return get_fitting_net_variables_from_graph_def(graph_def)
return get_fitting_net_variables_from_graph_def(graph_def, suffix=suffix)


def get_type_embedding_net_nodes_from_graph_def(graph_def: tf.GraphDef, suffix: str = "") -> Dict:
Expand Down