tart.representation#
tart.representation.config module#
Configs for model and optimizer
- tart.representation.config.build_feature_configs(parser)[source]#
build graph feature config arguments
- Parameters:
parser (ArgumentParser) – argparse parser
- Return type:
- tart.representation.config.build_model_configs(parser)[source]#
build model config arguments
- Parameters:
parser (ArgumentParser) – argparse parser
- Return type:
- tart.representation.config.build_optimizer_configs(parser)[source]#
build optimizer config arguments
- Parameters:
parser (ArgumentParser) – argparse parser
- Return type:
- tart.representation.config.init_user_configs(args, configs_json, tune=False)[source]#
initialize user defined configs
- Parameters:
args (Namespace) – argparse namespace
configs_json (Dict) – user defined configs
- Raises:
ValueError – node_feats not provided in configs.json
ValueError – edge_feats not provided in configs.json
ValueError – node and edge feats names overlap
- Return type:
- Returns:
Namespace – updated argparse namespace
tart.representation.dataset module#
- class tart.representation.dataset.Corpus(args, feat_encoder, train=True)[source]#
Bases:
objectInitialize the corpus generator
NOTE: new batch of graphs (positive and negative) are iteratively generated on the fly by sampling from the dataset.
- Parameters:
args (Namespace) – tart configs
feat_encoder (Callable) – function to encode graph features
train (bool, optional) – train/test corpus. Defaults to True.
- class tart.representation.dataset.GraphDataset(root, name, n_samples, feat_encoder, args, transform=None, pre_transform=None, pre_filter=None)[source]#
Bases:
DatasetDataset of graphs
- Parameters:
root (str) – root directory of the dataset
name (str) – name of the dataset
n_samples (int) – number of samples to generate
feat_encoder (Callable) – function to encode graph str features
args (Namespace) – tart configs
transform (Optional[Callable], optional) – _description_. Defaults to None.
pre_transform (Optional[Callable], optional) – _description_. Defaults to None.
pre_filter (Optional[Callable], optional) – _description_. Defaults to None.
- get(idx)[source]#
load a processed graph from disk.
- Parameters:
idx (int) – index of graph to load
- Raises:
FileNotFoundError – if graph is not found
- Return type:
BaseData- Returns:
BaseData – graph data object
- get_summary()#
Collects summary statistics for the dataset.
- property has_download: bool#
Checks whether the dataset defines a
download()method.
- index_select(idx)#
Creates a subset of the dataset from specified indices
idx. Indicesidxcan be a slicing object, e.g.,[2:5], a list, a tuple, or atorch.Tensorornp.ndarrayof type long or bool.- Return type:
Dataset
- len()[source]#
Number of graphs in the dataset
- Return type:
- Returns:
int – number of graphs in the dataset
- property num_edge_attributes: int#
Number of edge attributes
- Returns:
int – number of edge attributes
- property num_features: int#
Returns the number of features per node in the dataset. Alias for
num_node_features.
- property num_node_attributes: int#
Number of node attributes
- Returns:
int – number of node attributes
- print_summary()#
Prints summary statistics of the dataset to the console.
- property processed_file_names: List[str]#
List of processed file names
note: currently returns [], so that the dataset is reprocessed on every run.
- Returns:
List[str] – list of processed file names
- property processed_paths: List[str]#
The absolute filepaths that must be present in order to skip processing.
- random_samples_generator(graph_sizes, count)[source]#
Generate random samples of graphs
- Steps:
choose a random size for graph
choose a random target graph
perform random bfs traversal in neighborhood = size
choose a random but anchored query = positive e.g.
repeat for negative e.g. but with different random graph for the query
- property raw_file_names: List[str]#
List of raw file names
- Returns:
List[str] – list of raw file names
- property raw_paths: List[str]#
The absolute filepaths that must be present in order to skip downloading.
- shuffle(return_perm=False)#
Randomly shuffles the examples in the dataset.
- to_datapipe()#
Converts the dataset into a
torch.utils.data.DataPipe.The returned instance can then be used with :pyg:`PyG's` built-in
DataPipesfor baching graphs as follows:from torch_geometric.datasets import QM9 dp = QM9(root='./data/QM9/').to_datapipe() dp = dp.batch_graphs(batch_size=2, drop_last=True) for batch in dp: pass
See the PyTorch tutorial for further background on DataPipes.
tart.representation.train module#
- tart.representation.train.tart_train(user_config_file, tune=False, trials=0)[source]#
tart’s train API
- tart.representation.train.train(args, model, corpus, in_queue, out_queue)[source]#
Train a single iteration for the model on a corpus of graphs. NOTE: This function is called by each worker process.
- Parameters:
args (Namespace) – tart configs
model (nn.Module) – tart model to train
corpus (Corpus) – corpus generator for graphs
in_queue (mp.Queue) – multiprocessing queue for input
out_queue (mp.Queue) – multiprocessing queue for output
tart.representation.test module#
- tart.representation.test.precision(pred, labels)[source]#
Calculate precision for predictions.
- Parameters:
pred (torch.Tensor) – tensor of predicted labels
labels (torch.Tensor) – tensor of true labels
- Return type:
- Returns:
float – average precision
- tart.representation.test.recall(pred, labels)[source]#
Calculate recall for predictions.
- Parameters:
pred (torch.Tensor) – tensor of predicted labels
labels (torch.Tensor) – tensor of true labels
- Return type:
- Returns:
float – average recall
- tart.representation.test.tart_test(user_config_file)[source]#
tart’s test API
- Parameters:
user_config_file (str) – config file path
- tart.representation.test.test(model, dataloader)[source]#
Test the model on a corpus of graphs loaded by a dataloader.
- Parameters:
model (nn.Module) – tart model to test
dataloader (DataLoader) – dataloader for test data
tart.representation.encoders module#
- tart.representation.encoders.codebert_bpe_encoder(x)[source]#
feature encoder using CodeBert BPE tokenizer
- Parameters:
x (str) – string to be encoded
- Return type:
tensor- Returns:
torch.tensor – encoding of the string
tart.representation.models module#
models to learn tensor representations of graphs with specific relational properties using graph neural networks
- class tart.representation.models.BasicGNN(input_dim, hidden_dim, output_dim, args)[source]#
Bases:
ModuleBasic GNN model with the following configurable options: - number of layers - aggregation type - skip connections
Initializes internal Module state, shared by both nn.Module and ScriptModule.
- add_module(name, module)#
Adds a child module to the current module.
The module can be accessed as an attribute using the given name.
- apply(fn)#
Applies
fnrecursively to every submodule (as returned by.children()) as well as self. Typical use includes initializing the parameters of a model (see also nn-init-doc).- Parameters:
fn (
Module-> None) – function to be applied to each submodule- Return type:
TypeVar(T, bound= Module)- Returns:
Module – self
Example:
>>> @torch.no_grad() >>> def init_weights(m): >>> print(m) >>> if type(m) == nn.Linear: >>> m.weight.fill_(1.0) >>> print(m.weight) >>> net = nn.Sequential(nn.Linear(2, 2), nn.Linear(2, 2)) >>> net.apply(init_weights) Linear(in_features=2, out_features=2, bias=True) Parameter containing: tensor([[1., 1.], [1., 1.]], requires_grad=True) Linear(in_features=2, out_features=2, bias=True) Parameter containing: tensor([[1., 1.], [1., 1.]], requires_grad=True) Sequential( (0): Linear(in_features=2, out_features=2, bias=True) (1): Linear(in_features=2, out_features=2, bias=True) )
- bfloat16()#
Casts all floating point parameters and buffers to
bfloat16datatype.Note
This method modifies the module in-place.
- Return type:
TypeVar(T, bound= Module)- Returns:
Module – self
- buffers(recurse=True)#
Returns an iterator over module buffers.
- Parameters:
recurse (bool) – if True, then yields buffers of this module and all submodules. Otherwise, yields only buffers that are direct members of this module.
- Yields:
torch.Tensor – module buffer
- Return type:
Iterator[Tensor]
Example:
>>> # xdoctest: +SKIP("undefined vars") >>> for buf in model.buffers(): >>> print(type(buf), buf.size()) <class 'torch.Tensor'> (20L,) <class 'torch.Tensor'> (20L, 1L, 5L, 5L)
- children()#
Returns an iterator over immediate children modules.
- Yields:
Module – a child module
- Return type:
Iterator[Module]
- cpu()#
Moves all model parameters and buffers to the CPU.
Note
This method modifies the module in-place.
- Return type:
TypeVar(T, bound= Module)- Returns:
Module – self
- cuda(device=None)#
Moves all model parameters and buffers to the GPU.
This also makes associated parameters and buffers different objects. So it should be called before constructing optimizer if the module will live on GPU while being optimized.
Note
This method modifies the module in-place.
- double()#
Casts all floating point parameters and buffers to
doubledatatype.Note
This method modifies the module in-place.
- Return type:
TypeVar(T, bound= Module)- Returns:
Module – self
- eval()#
Sets the module in evaluation mode.
This has any effect only on certain modules. See documentations of particular modules for details of their behaviors in training/evaluation mode, if they are affected, e.g.
Dropout,BatchNorm, etc.This is equivalent with
self.train(False).See locally-disable-grad-doc for a comparison between .eval() and several similar mechanisms that may be confused with it.
- Return type:
TypeVar(T, bound= Module)- Returns:
Module – self
- extra_repr()#
Set the extra representation of the module
To print customized extra information, you should re-implement this method in your own modules. Both single-line and multi-line strings are acceptable.
- Return type:
- float()#
Casts all floating point parameters and buffers to
floatdatatype.Note
This method modifies the module in-place.
- Return type:
TypeVar(T, bound= Module)- Returns:
Module – self
- forward(data)[source]#
Defines the computation performed at every call.
Should be overridden by all subclasses.
Note
Although the recipe for forward pass needs to be defined within this function, one should call the
Moduleinstance afterwards instead of this since the former takes care of running the registered hooks while the latter silently ignores them.
- get_buffer(target)#
Returns the buffer given by
targetif it exists, otherwise throws an error.See the docstring for
get_submodulefor a more detailed explanation of this method’s functionality as well as how to correctly specifytarget.- Parameters:
target (
str) – The fully-qualified string name of the buffer to look for. (Seeget_submodulefor how to specify a fully-qualified string.)- Return type:
Tensor- Returns:
torch.Tensor – The buffer referenced by
target- Raises:
AttributeError – If the target string references an invalid path or resolves to something that is not a buffer
- get_extra_state()#
Returns any extra state to include in the module’s state_dict. Implement this and a corresponding
set_extra_state()for your module if you need to store extra state. This function is called when building the module’s state_dict().Note that extra state should be pickleable to ensure working serialization of the state_dict. We only provide provide backwards compatibility guarantees for serializing Tensors; other objects may break backwards compatibility if their serialized pickled form changes.
- Return type:
- Returns:
object – Any extra state to store in the module’s state_dict
- get_parameter(target)#
Returns the parameter given by
targetif it exists, otherwise throws an error.See the docstring for
get_submodulefor a more detailed explanation of this method’s functionality as well as how to correctly specifytarget.- Parameters:
target (
str) – The fully-qualified string name of the Parameter to look for. (Seeget_submodulefor how to specify a fully-qualified string.)- Return type:
Parameter- Returns:
torch.nn.Parameter – The Parameter referenced by
target- Raises:
AttributeError – If the target string references an invalid path or resolves to something that is not an
nn.Parameter
- get_submodule(target)#
Returns the submodule given by
targetif it exists, otherwise throws an error.For example, let’s say you have an
nn.ModuleAthat looks like this:A( (net_b): Module( (net_c): Module( (conv): Conv2d(16, 33, kernel_size=(3, 3), stride=(2, 2)) ) (linear): Linear(in_features=100, out_features=200, bias=True) ) )(The diagram shows an
nn.ModuleA.Ahas a nested submodulenet_b, which itself has two submodulesnet_candlinear.net_cthen has a submoduleconv.)To check whether or not we have the
linearsubmodule, we would callget_submodule("net_b.linear"). To check whether we have theconvsubmodule, we would callget_submodule("net_b.net_c.conv").The runtime of
get_submoduleis bounded by the degree of module nesting intarget. A query againstnamed_modulesachieves the same result, but it is O(N) in the number of transitive modules. So, for a simple check to see if some submodule exists,get_submoduleshould always be used.- Parameters:
target (
str) – The fully-qualified string name of the submodule to look for. (See above example for how to specify a fully-qualified string.)- Return type:
Module- Returns:
torch.nn.Module – The submodule referenced by
target- Raises:
AttributeError – If the target string references an invalid path or resolves to something that is not an
nn.Module
- half()#
Casts all floating point parameters and buffers to
halfdatatype.Note
This method modifies the module in-place.
- Return type:
TypeVar(T, bound= Module)- Returns:
Module – self
- ipu(device=None)#
Moves all model parameters and buffers to the IPU.
This also makes associated parameters and buffers different objects. So it should be called before constructing optimizer if the module will live on IPU while being optimized.
Note
This method modifies the module in-place.
- load_state_dict(state_dict, strict=True)#
Copies parameters and buffers from
state_dictinto this module and its descendants. IfstrictisTrue, then the keys ofstate_dictmust exactly match the keys returned by this module’sstate_dict()function.- Parameters:
state_dict (dict) – a dict containing parameters and persistent buffers.
strict (bool, optional) – whether to strictly enforce that the keys in
state_dictmatch the keys returned by this module’sstate_dict()function. Default:True
- Returns:
NamedTuplewithmissing_keysandunexpected_keysfields – * missing_keys is a list of str containing the missing keys * unexpected_keys is a list of str containing the unexpected keys
Note
If a parameter or buffer is registered as
Noneand its corresponding key exists instate_dict,load_state_dict()will raise aRuntimeError.
- modules()#
Returns an iterator over all modules in the network.
- Yields:
Module – a module in the network
- Return type:
Iterator[Module]
Note
Duplicate modules are returned only once. In the following example,
lwill be returned only once.Example:
>>> l = nn.Linear(2, 2) >>> net = nn.Sequential(l, l) >>> for idx, m in enumerate(net.modules()): ... print(idx, '->', m) 0 -> Sequential( (0): Linear(in_features=2, out_features=2, bias=True) (1): Linear(in_features=2, out_features=2, bias=True) ) 1 -> Linear(in_features=2, out_features=2, bias=True)
- named_buffers(prefix='', recurse=True)#
Returns an iterator over module buffers, yielding both the name of the buffer as well as the buffer itself.
- Parameters:
- Yields:
(str, torch.Tensor) – Tuple containing the name and buffer
- Return type:
Example:
>>> # xdoctest: +SKIP("undefined vars") >>> for name, buf in self.named_buffers(): >>> if name in ['running_var']: >>> print(buf.size())
- named_children()#
Returns an iterator over immediate children modules, yielding both the name of the module as well as the module itself.
- Yields:
(str, Module) – Tuple containing a name and child module
Example:
>>> # xdoctest: +SKIP("undefined vars") >>> for name, module in model.named_children(): >>> if name in ['conv4', 'conv5']: >>> print(module)
- named_modules(memo=None, prefix='', remove_duplicate=True)#
Returns an iterator over all modules in the network, yielding both the name of the module as well as the module itself.
- Parameters:
- Yields:
(str, Module) – Tuple of name and module
Note
Duplicate modules are returned only once. In the following example,
lwill be returned only once.Example:
>>> l = nn.Linear(2, 2) >>> net = nn.Sequential(l, l) >>> for idx, m in enumerate(net.named_modules()): ... print(idx, '->', m) 0 -> ('', Sequential( (0): Linear(in_features=2, out_features=2, bias=True) (1): Linear(in_features=2, out_features=2, bias=True) )) 1 -> ('0', Linear(in_features=2, out_features=2, bias=True))
- named_parameters(prefix='', recurse=True)#
Returns an iterator over module parameters, yielding both the name of the parameter as well as the parameter itself.
- Parameters:
- Yields:
(str, Parameter) – Tuple containing the name and parameter
- Return type:
Example:
>>> # xdoctest: +SKIP("undefined vars") >>> for name, param in self.named_parameters(): >>> if name in ['bias']: >>> print(param.size())
- parameters(recurse=True)#
Returns an iterator over module parameters.
This is typically passed to an optimizer.
- Parameters:
recurse (bool) – if True, then yields parameters of this module and all submodules. Otherwise, yields only parameters that are direct members of this module.
- Yields:
Parameter – module parameter
- Return type:
Iterator[Parameter]
Example:
>>> # xdoctest: +SKIP("undefined vars") >>> for param in model.parameters(): >>> print(type(param), param.size()) <class 'torch.Tensor'> (20L,) <class 'torch.Tensor'> (20L, 1L, 5L, 5L)
- register_backward_hook(hook)#
Registers a backward hook on the module.
This function is deprecated in favor of
register_full_backward_hook()and the behavior of this function will change in future versions.- Return type:
RemovableHandle- Returns:
torch.utils.hooks.RemovableHandle– a handle that can be used to remove the added hook by callinghandle.remove()
- register_buffer(name, tensor, persistent=True)#
Adds a buffer to the module.
This is typically used to register a buffer that should not to be considered a model parameter. For example, BatchNorm’s
running_meanis not a parameter, but is part of the module’s state. Buffers, by default, are persistent and will be saved alongside parameters. This behavior can be changed by settingpersistenttoFalse. The only difference between a persistent buffer and a non-persistent buffer is that the latter will not be a part of this module’sstate_dict.Buffers can be accessed as attributes using given names.
- Parameters:
name (str) – name of the buffer. The buffer can be accessed from this module using the given name
tensor (Tensor or None) – buffer to be registered. If
None, then operations that run on buffers, such ascuda, are ignored. IfNone, the buffer is not included in the module’sstate_dict.persistent (bool) – whether the buffer is part of this module’s
state_dict.
- Return type:
Example:
>>> # xdoctest: +SKIP("undefined vars") >>> self.register_buffer('running_mean', torch.zeros(num_features))
- register_forward_hook(hook)#
Registers a forward hook on the module.
The hook will be called every time after
forward()has computed an output. It should have the following signature:hook(module, input, output) -> None or modified output
The input contains only the positional arguments given to the module. Keyword arguments won’t be passed to the hooks and only to the
forward. The hook can modify the output. It can modify the input inplace but it will not have effect on forward since this is called afterforward()is called.- Return type:
RemovableHandle- Returns:
torch.utils.hooks.RemovableHandle– a handle that can be used to remove the added hook by callinghandle.remove()
- register_forward_pre_hook(hook)#
Registers a forward pre-hook on the module.
The hook will be called every time before
forward()is invoked. It should have the following signature:hook(module, input) -> None or modified input
The input contains only the positional arguments given to the module. Keyword arguments won’t be passed to the hooks and only to the
forward. The hook can modify the input. User can either return a tuple or a single modified value in the hook. We will wrap the value into a tuple if a single value is returned(unless that value is already a tuple).- Return type:
RemovableHandle- Returns:
torch.utils.hooks.RemovableHandle– a handle that can be used to remove the added hook by callinghandle.remove()
- register_full_backward_hook(hook)#
Registers a backward hook on the module.
The hook will be called every time the gradients with respect to module inputs are computed. The hook should have the following signature:
hook(module, grad_input, grad_output) -> tuple(Tensor) or None
The
grad_inputandgrad_outputare tuples that contain the gradients with respect to the inputs and outputs respectively. The hook should not modify its arguments, but it can optionally return a new gradient with respect to the input that will be used in place ofgrad_inputin subsequent computations.grad_inputwill only correspond to the inputs given as positional arguments and all kwarg arguments are ignored. Entries ingrad_inputandgrad_outputwill beNonefor all non-Tensor arguments.For technical reasons, when this hook is applied to a Module, its forward function will receive a view of each Tensor passed to the Module. Similarly the caller will receive a view of each Tensor returned by the Module’s forward function.
Warning
Modifying inputs or outputs inplace is not allowed when using backward hooks and will raise an error.
- Return type:
RemovableHandle- Returns:
torch.utils.hooks.RemovableHandle– a handle that can be used to remove the added hook by callinghandle.remove()
- register_load_state_dict_post_hook(hook)#
Registers a post hook to be run after module’s
load_state_dictis called.- It should have the following signature::
hook(module, incompatible_keys) -> None
The
moduleargument is the current module that this hook is registered on, and theincompatible_keysargument is aNamedTupleconsisting of attributesmissing_keysandunexpected_keys.missing_keysis alistofstrcontaining the missing keys andunexpected_keysis alistofstrcontaining the unexpected keys.The given incompatible_keys can be modified inplace if needed.
Note that the checks performed when calling
load_state_dict()withstrict=Trueare affected by modifications the hook makes tomissing_keysorunexpected_keys, as expected. Additions to either set of keys will result in an error being thrown whenstrict=True, and clearning out both missing and unexpected keys will avoid an error.- Returns:
torch.utils.hooks.RemovableHandle– a handle that can be used to remove the added hook by callinghandle.remove()
- register_module(name, module)#
Alias for
add_module().- Return type:
- register_parameter(name, param)#
Adds a parameter to the module.
The parameter can be accessed as an attribute using given name.
- Parameters:
name (str) – name of the parameter. The parameter can be accessed from this module using the given name
param (Parameter or None) – parameter to be added to the module. If
None, then operations that run on parameters, such ascuda, are ignored. IfNone, the parameter is not included in the module’sstate_dict.
- Return type:
- requires_grad_(requires_grad=True)#
Change if autograd should record operations on parameters in this module.
This method sets the parameters’
requires_gradattributes in-place.This method is helpful for freezing part of the module for finetuning or training parts of a model individually (e.g., GAN training).
See locally-disable-grad-doc for a comparison between .requires_grad_() and several similar mechanisms that may be confused with it.
- set_extra_state(state)#
This function is called from
load_state_dict()to handle any extra state found within the state_dict. Implement this function and a correspondingget_extra_state()for your module if you need to store extra state within its state_dict.- Parameters:
state (dict) – Extra state from the state_dict
See
torch.Tensor.share_memory_()- Return type:
TypeVar(T, bound= Module)
- state_dict(*args, destination=None, prefix='', keep_vars=False)#
Returns a dictionary containing references to the whole state of the module.
Both parameters and persistent buffers (e.g. running averages) are included. Keys are corresponding parameter and buffer names. Parameters and buffers set to
Noneare not included.Note
The returned object is a shallow copy. It contains references to the module’s parameters and buffers.
Warning
Currently
state_dict()also accepts positional arguments fordestination,prefixandkeep_varsin order. However, this is being deprecated and keyword arguments will be enforced in future releases.Warning
Please avoid the use of argument
destinationas it is not designed for end-users.- Parameters:
destination (dict, optional) – If provided, the state of module will be updated into the dict and the same object is returned. Otherwise, an
OrderedDictwill be created and returned. Default:None.prefix (str, optional) – a prefix added to parameter and buffer names to compose the keys in state_dict. Default:
''.keep_vars (bool, optional) – by default the
Tensors returned in the state dict are detached from autograd. If it’s set toTrue, detaching will not be performed. Default:False.
- Returns:
dict – a dictionary containing a whole state of the module
Example:
>>> # xdoctest: +SKIP("undefined vars") >>> module.state_dict().keys() ['bias', 'weight']
- to(*args, **kwargs)#
Moves and/or casts the parameters and buffers.
This can be called as
- to(device=None, dtype=None, non_blocking=False)
- to(dtype, non_blocking=False)
- to(tensor, non_blocking=False)
- to(memory_format=torch.channels_last)
Its signature is similar to
torch.Tensor.to(), but only accepts floating point or complexdtypes. In addition, this method will only cast the floating point or complex parameters and buffers todtype(if given). The integral parameters and buffers will be moveddevice, if that is given, but with dtypes unchanged. Whennon_blockingis set, it tries to convert/move asynchronously with respect to the host if possible, e.g., moving CPU Tensors with pinned memory to CUDA devices.See below for examples.
Note
This method modifies the module in-place.
- Parameters:
device (
torch.device) – the desired device of the parameters and buffers in this moduledtype (
torch.dtype) – the desired floating point or complex dtype of the parameters and buffers in this moduletensor (torch.Tensor) – Tensor whose dtype and device are the desired dtype and device for all parameters and buffers in this module
memory_format (
torch.memory_format) – the desired memory format for 4D parameters and buffers in this module (keyword only argument)
- Returns:
Module – self
Examples:
>>> # xdoctest: +IGNORE_WANT("non-deterministic") >>> linear = nn.Linear(2, 2) >>> linear.weight Parameter containing: tensor([[ 0.1913, -0.3420], [-0.5113, -0.2325]]) >>> linear.to(torch.double) Linear(in_features=2, out_features=2, bias=True) >>> linear.weight Parameter containing: tensor([[ 0.1913, -0.3420], [-0.5113, -0.2325]], dtype=torch.float64) >>> # xdoctest: +REQUIRES(env:TORCH_DOCTEST_CUDA1) >>> gpu1 = torch.device("cuda:1") >>> linear.to(gpu1, dtype=torch.half, non_blocking=True) Linear(in_features=2, out_features=2, bias=True) >>> linear.weight Parameter containing: tensor([[ 0.1914, -0.3420], [-0.5112, -0.2324]], dtype=torch.float16, device='cuda:1') >>> cpu = torch.device("cpu") >>> linear.to(cpu) Linear(in_features=2, out_features=2, bias=True) >>> linear.weight Parameter containing: tensor([[ 0.1914, -0.3420], [-0.5112, -0.2324]], dtype=torch.float16) >>> linear = nn.Linear(2, 2, bias=None).to(torch.cdouble) >>> linear.weight Parameter containing: tensor([[ 0.3741+0.j, 0.2382+0.j], [ 0.5593+0.j, -0.4443+0.j]], dtype=torch.complex128) >>> linear(torch.ones(3, 2, dtype=torch.cdouble)) tensor([[0.6122+0.j, 0.1150+0.j], [0.6122+0.j, 0.1150+0.j], [0.6122+0.j, 0.1150+0.j]], dtype=torch.complex128)
- to_empty(*, device)#
Moves the parameters and buffers to the specified device without copying storage.
- Parameters:
device (
torch.device) – The desired device of the parameters and buffers in this module.- Return type:
TypeVar(T, bound= Module)- Returns:
Module – self
- train(mode=True)#
Sets the module in training mode.
This has any effect only on certain modules. See documentations of particular modules for details of their behaviors in training/evaluation mode, if they are affected, e.g.
Dropout,BatchNorm, etc.
- type(dst_type)#
Casts all parameters and buffers to
dst_type.Note
This method modifies the module in-place.
- xpu(device=None)#
Moves all model parameters and buffers to the XPU.
This also makes associated parameters and buffers different objects. So it should be called before constructing optimizer if the module will live on XPU while being optimized.
Note
This method modifies the module in-place.
- class tart.representation.models.SubgraphEmbedder(input_dim, hidden_dim, args)[source]#
Bases:
ModuleModel for order embeddings. Uses a GNN (encoder) to embed graphs into a vector space, and then uses a MLP (classifier) to predict if queries are subgraphs of targets.
Initializes internal Module state, shared by both nn.Module and ScriptModule.
- add_module(name, module)#
Adds a child module to the current module.
The module can be accessed as an attribute using the given name.
- apply(fn)#
Applies
fnrecursively to every submodule (as returned by.children()) as well as self. Typical use includes initializing the parameters of a model (see also nn-init-doc).- Parameters:
fn (
Module-> None) – function to be applied to each submodule- Return type:
TypeVar(T, bound= Module)- Returns:
Module – self
Example:
>>> @torch.no_grad() >>> def init_weights(m): >>> print(m) >>> if type(m) == nn.Linear: >>> m.weight.fill_(1.0) >>> print(m.weight) >>> net = nn.Sequential(nn.Linear(2, 2), nn.Linear(2, 2)) >>> net.apply(init_weights) Linear(in_features=2, out_features=2, bias=True) Parameter containing: tensor([[1., 1.], [1., 1.]], requires_grad=True) Linear(in_features=2, out_features=2, bias=True) Parameter containing: tensor([[1., 1.], [1., 1.]], requires_grad=True) Sequential( (0): Linear(in_features=2, out_features=2, bias=True) (1): Linear(in_features=2, out_features=2, bias=True) )
- bfloat16()#
Casts all floating point parameters and buffers to
bfloat16datatype.Note
This method modifies the module in-place.
- Return type:
TypeVar(T, bound= Module)- Returns:
Module – self
- buffers(recurse=True)#
Returns an iterator over module buffers.
- Parameters:
recurse (bool) – if True, then yields buffers of this module and all submodules. Otherwise, yields only buffers that are direct members of this module.
- Yields:
torch.Tensor – module buffer
- Return type:
Iterator[Tensor]
Example:
>>> # xdoctest: +SKIP("undefined vars") >>> for buf in model.buffers(): >>> print(type(buf), buf.size()) <class 'torch.Tensor'> (20L,) <class 'torch.Tensor'> (20L, 1L, 5L, 5L)
- children()#
Returns an iterator over immediate children modules.
- Yields:
Module – a child module
- Return type:
Iterator[Module]
- cpu()#
Moves all model parameters and buffers to the CPU.
Note
This method modifies the module in-place.
- Return type:
TypeVar(T, bound= Module)- Returns:
Module – self
- criterion(pred, labels)[source]#
Loss function for subgraph ordering in embedding space. error = amount of violation (if b is a subgraph of a). For + examples, train to minimize error -> 0; For - examples, train to minimize error to be atleast self.margin
- cuda(device=None)#
Moves all model parameters and buffers to the GPU.
This also makes associated parameters and buffers different objects. So it should be called before constructing optimizer if the module will live on GPU while being optimized.
Note
This method modifies the module in-place.
- double()#
Casts all floating point parameters and buffers to
doubledatatype.Note
This method modifies the module in-place.
- Return type:
TypeVar(T, bound= Module)- Returns:
Module – self
- eval()#
Sets the module in evaluation mode.
This has any effect only on certain modules. See documentations of particular modules for details of their behaviors in training/evaluation mode, if they are affected, e.g.
Dropout,BatchNorm, etc.This is equivalent with
self.train(False).See locally-disable-grad-doc for a comparison between .eval() and several similar mechanisms that may be confused with it.
- Return type:
TypeVar(T, bound= Module)- Returns:
Module – self
- extra_repr()#
Set the extra representation of the module
To print customized extra information, you should re-implement this method in your own modules. Both single-line and multi-line strings are acceptable.
- Return type:
- float()#
Casts all floating point parameters and buffers to
floatdatatype.Note
This method modifies the module in-place.
- Return type:
TypeVar(T, bound= Module)- Returns:
Module – self
- forward(emb_targets, emb_queries)[source]#
Defines the computation performed at every call.
Should be overridden by all subclasses.
Note
Although the recipe for forward pass needs to be defined within this function, one should call the
Moduleinstance afterwards instead of this since the former takes care of running the registered hooks while the latter silently ignores them.
- get_buffer(target)#
Returns the buffer given by
targetif it exists, otherwise throws an error.See the docstring for
get_submodulefor a more detailed explanation of this method’s functionality as well as how to correctly specifytarget.- Parameters:
target (
str) – The fully-qualified string name of the buffer to look for. (Seeget_submodulefor how to specify a fully-qualified string.)- Return type:
Tensor- Returns:
torch.Tensor – The buffer referenced by
target- Raises:
AttributeError – If the target string references an invalid path or resolves to something that is not a buffer
- get_extra_state()#
Returns any extra state to include in the module’s state_dict. Implement this and a corresponding
set_extra_state()for your module if you need to store extra state. This function is called when building the module’s state_dict().Note that extra state should be pickleable to ensure working serialization of the state_dict. We only provide provide backwards compatibility guarantees for serializing Tensors; other objects may break backwards compatibility if their serialized pickled form changes.
- Return type:
- Returns:
object – Any extra state to store in the module’s state_dict
- get_parameter(target)#
Returns the parameter given by
targetif it exists, otherwise throws an error.See the docstring for
get_submodulefor a more detailed explanation of this method’s functionality as well as how to correctly specifytarget.- Parameters:
target (
str) – The fully-qualified string name of the Parameter to look for. (Seeget_submodulefor how to specify a fully-qualified string.)- Return type:
Parameter- Returns:
torch.nn.Parameter – The Parameter referenced by
target- Raises:
AttributeError – If the target string references an invalid path or resolves to something that is not an
nn.Parameter
- get_submodule(target)#
Returns the submodule given by
targetif it exists, otherwise throws an error.For example, let’s say you have an
nn.ModuleAthat looks like this:A( (net_b): Module( (net_c): Module( (conv): Conv2d(16, 33, kernel_size=(3, 3), stride=(2, 2)) ) (linear): Linear(in_features=100, out_features=200, bias=True) ) )(The diagram shows an
nn.ModuleA.Ahas a nested submodulenet_b, which itself has two submodulesnet_candlinear.net_cthen has a submoduleconv.)To check whether or not we have the
linearsubmodule, we would callget_submodule("net_b.linear"). To check whether we have theconvsubmodule, we would callget_submodule("net_b.net_c.conv").The runtime of
get_submoduleis bounded by the degree of module nesting intarget. A query againstnamed_modulesachieves the same result, but it is O(N) in the number of transitive modules. So, for a simple check to see if some submodule exists,get_submoduleshould always be used.- Parameters:
target (
str) – The fully-qualified string name of the submodule to look for. (See above example for how to specify a fully-qualified string.)- Return type:
Module- Returns:
torch.nn.Module – The submodule referenced by
target- Raises:
AttributeError – If the target string references an invalid path or resolves to something that is not an
nn.Module
- half()#
Casts all floating point parameters and buffers to
halfdatatype.Note
This method modifies the module in-place.
- Return type:
TypeVar(T, bound= Module)- Returns:
Module – self
- ipu(device=None)#
Moves all model parameters and buffers to the IPU.
This also makes associated parameters and buffers different objects. So it should be called before constructing optimizer if the module will live on IPU while being optimized.
Note
This method modifies the module in-place.
- load_state_dict(state_dict, strict=True)#
Copies parameters and buffers from
state_dictinto this module and its descendants. IfstrictisTrue, then the keys ofstate_dictmust exactly match the keys returned by this module’sstate_dict()function.- Parameters:
state_dict (dict) – a dict containing parameters and persistent buffers.
strict (bool, optional) – whether to strictly enforce that the keys in
state_dictmatch the keys returned by this module’sstate_dict()function. Default:True
- Returns:
NamedTuplewithmissing_keysandunexpected_keysfields – * missing_keys is a list of str containing the missing keys * unexpected_keys is a list of str containing the unexpected keys
Note
If a parameter or buffer is registered as
Noneand its corresponding key exists instate_dict,load_state_dict()will raise aRuntimeError.
- modules()#
Returns an iterator over all modules in the network.
- Yields:
Module – a module in the network
- Return type:
Iterator[Module]
Note
Duplicate modules are returned only once. In the following example,
lwill be returned only once.Example:
>>> l = nn.Linear(2, 2) >>> net = nn.Sequential(l, l) >>> for idx, m in enumerate(net.modules()): ... print(idx, '->', m) 0 -> Sequential( (0): Linear(in_features=2, out_features=2, bias=True) (1): Linear(in_features=2, out_features=2, bias=True) ) 1 -> Linear(in_features=2, out_features=2, bias=True)
- named_buffers(prefix='', recurse=True)#
Returns an iterator over module buffers, yielding both the name of the buffer as well as the buffer itself.
- Parameters:
- Yields:
(str, torch.Tensor) – Tuple containing the name and buffer
- Return type:
Example:
>>> # xdoctest: +SKIP("undefined vars") >>> for name, buf in self.named_buffers(): >>> if name in ['running_var']: >>> print(buf.size())
- named_children()#
Returns an iterator over immediate children modules, yielding both the name of the module as well as the module itself.
- Yields:
(str, Module) – Tuple containing a name and child module
Example:
>>> # xdoctest: +SKIP("undefined vars") >>> for name, module in model.named_children(): >>> if name in ['conv4', 'conv5']: >>> print(module)
- named_modules(memo=None, prefix='', remove_duplicate=True)#
Returns an iterator over all modules in the network, yielding both the name of the module as well as the module itself.
- Parameters:
- Yields:
(str, Module) – Tuple of name and module
Note
Duplicate modules are returned only once. In the following example,
lwill be returned only once.Example:
>>> l = nn.Linear(2, 2) >>> net = nn.Sequential(l, l) >>> for idx, m in enumerate(net.named_modules()): ... print(idx, '->', m) 0 -> ('', Sequential( (0): Linear(in_features=2, out_features=2, bias=True) (1): Linear(in_features=2, out_features=2, bias=True) )) 1 -> ('0', Linear(in_features=2, out_features=2, bias=True))
- named_parameters(prefix='', recurse=True)#
Returns an iterator over module parameters, yielding both the name of the parameter as well as the parameter itself.
- Parameters:
- Yields:
(str, Parameter) – Tuple containing the name and parameter
- Return type:
Example:
>>> # xdoctest: +SKIP("undefined vars") >>> for name, param in self.named_parameters(): >>> if name in ['bias']: >>> print(param.size())
- parameters(recurse=True)#
Returns an iterator over module parameters.
This is typically passed to an optimizer.
- Parameters:
recurse (bool) – if True, then yields parameters of this module and all submodules. Otherwise, yields only parameters that are direct members of this module.
- Yields:
Parameter – module parameter
- Return type:
Iterator[Parameter]
Example:
>>> # xdoctest: +SKIP("undefined vars") >>> for param in model.parameters(): >>> print(type(param), param.size()) <class 'torch.Tensor'> (20L,) <class 'torch.Tensor'> (20L, 1L, 5L, 5L)
- predict(pred)[source]#
Inference API: predict if queries are subgraphs of targets :type pred: :param pred: embeddings of pairs of graphs :type pred: List<emb_t, emb_q>
- predictv2(pred)[source]#
Inference API v2: predict if queries are subgraphs of targets :type pred: :param pred: embeddings of pairs of graphs :type pred: List<emb_t, emb_q>
- register_backward_hook(hook)#
Registers a backward hook on the module.
This function is deprecated in favor of
register_full_backward_hook()and the behavior of this function will change in future versions.- Return type:
RemovableHandle- Returns:
torch.utils.hooks.RemovableHandle– a handle that can be used to remove the added hook by callinghandle.remove()
- register_buffer(name, tensor, persistent=True)#
Adds a buffer to the module.
This is typically used to register a buffer that should not to be considered a model parameter. For example, BatchNorm’s
running_meanis not a parameter, but is part of the module’s state. Buffers, by default, are persistent and will be saved alongside parameters. This behavior can be changed by settingpersistenttoFalse. The only difference between a persistent buffer and a non-persistent buffer is that the latter will not be a part of this module’sstate_dict.Buffers can be accessed as attributes using given names.
- Parameters:
name (str) – name of the buffer. The buffer can be accessed from this module using the given name
tensor (Tensor or None) – buffer to be registered. If
None, then operations that run on buffers, such ascuda, are ignored. IfNone, the buffer is not included in the module’sstate_dict.persistent (bool) – whether the buffer is part of this module’s
state_dict.
- Return type:
Example:
>>> # xdoctest: +SKIP("undefined vars") >>> self.register_buffer('running_mean', torch.zeros(num_features))
- register_forward_hook(hook)#
Registers a forward hook on the module.
The hook will be called every time after
forward()has computed an output. It should have the following signature:hook(module, input, output) -> None or modified output
The input contains only the positional arguments given to the module. Keyword arguments won’t be passed to the hooks and only to the
forward. The hook can modify the output. It can modify the input inplace but it will not have effect on forward since this is called afterforward()is called.- Return type:
RemovableHandle- Returns:
torch.utils.hooks.RemovableHandle– a handle that can be used to remove the added hook by callinghandle.remove()
- register_forward_pre_hook(hook)#
Registers a forward pre-hook on the module.
The hook will be called every time before
forward()is invoked. It should have the following signature:hook(module, input) -> None or modified input
The input contains only the positional arguments given to the module. Keyword arguments won’t be passed to the hooks and only to the
forward. The hook can modify the input. User can either return a tuple or a single modified value in the hook. We will wrap the value into a tuple if a single value is returned(unless that value is already a tuple).- Return type:
RemovableHandle- Returns:
torch.utils.hooks.RemovableHandle– a handle that can be used to remove the added hook by callinghandle.remove()
- register_full_backward_hook(hook)#
Registers a backward hook on the module.
The hook will be called every time the gradients with respect to module inputs are computed. The hook should have the following signature:
hook(module, grad_input, grad_output) -> tuple(Tensor) or None
The
grad_inputandgrad_outputare tuples that contain the gradients with respect to the inputs and outputs respectively. The hook should not modify its arguments, but it can optionally return a new gradient with respect to the input that will be used in place ofgrad_inputin subsequent computations.grad_inputwill only correspond to the inputs given as positional arguments and all kwarg arguments are ignored. Entries ingrad_inputandgrad_outputwill beNonefor all non-Tensor arguments.For technical reasons, when this hook is applied to a Module, its forward function will receive a view of each Tensor passed to the Module. Similarly the caller will receive a view of each Tensor returned by the Module’s forward function.
Warning
Modifying inputs or outputs inplace is not allowed when using backward hooks and will raise an error.
- Return type:
RemovableHandle- Returns:
torch.utils.hooks.RemovableHandle– a handle that can be used to remove the added hook by callinghandle.remove()
- register_load_state_dict_post_hook(hook)#
Registers a post hook to be run after module’s
load_state_dictis called.- It should have the following signature::
hook(module, incompatible_keys) -> None
The
moduleargument is the current module that this hook is registered on, and theincompatible_keysargument is aNamedTupleconsisting of attributesmissing_keysandunexpected_keys.missing_keysis alistofstrcontaining the missing keys andunexpected_keysis alistofstrcontaining the unexpected keys.The given incompatible_keys can be modified inplace if needed.
Note that the checks performed when calling
load_state_dict()withstrict=Trueare affected by modifications the hook makes tomissing_keysorunexpected_keys, as expected. Additions to either set of keys will result in an error being thrown whenstrict=True, and clearning out both missing and unexpected keys will avoid an error.- Returns:
torch.utils.hooks.RemovableHandle– a handle that can be used to remove the added hook by callinghandle.remove()
- register_module(name, module)#
Alias for
add_module().- Return type:
- register_parameter(name, param)#
Adds a parameter to the module.
The parameter can be accessed as an attribute using given name.
- Parameters:
name (str) – name of the parameter. The parameter can be accessed from this module using the given name
param (Parameter or None) – parameter to be added to the module. If
None, then operations that run on parameters, such ascuda, are ignored. IfNone, the parameter is not included in the module’sstate_dict.
- Return type:
- requires_grad_(requires_grad=True)#
Change if autograd should record operations on parameters in this module.
This method sets the parameters’
requires_gradattributes in-place.This method is helpful for freezing part of the module for finetuning or training parts of a model individually (e.g., GAN training).
See locally-disable-grad-doc for a comparison between .requires_grad_() and several similar mechanisms that may be confused with it.
- set_extra_state(state)#
This function is called from
load_state_dict()to handle any extra state found within the state_dict. Implement this function and a correspondingget_extra_state()for your module if you need to store extra state within its state_dict.- Parameters:
state (dict) – Extra state from the state_dict
See
torch.Tensor.share_memory_()- Return type:
TypeVar(T, bound= Module)
- state_dict(*args, destination=None, prefix='', keep_vars=False)#
Returns a dictionary containing references to the whole state of the module.
Both parameters and persistent buffers (e.g. running averages) are included. Keys are corresponding parameter and buffer names. Parameters and buffers set to
Noneare not included.Note
The returned object is a shallow copy. It contains references to the module’s parameters and buffers.
Warning
Currently
state_dict()also accepts positional arguments fordestination,prefixandkeep_varsin order. However, this is being deprecated and keyword arguments will be enforced in future releases.Warning
Please avoid the use of argument
destinationas it is not designed for end-users.- Parameters:
destination (dict, optional) – If provided, the state of module will be updated into the dict and the same object is returned. Otherwise, an
OrderedDictwill be created and returned. Default:None.prefix (str, optional) – a prefix added to parameter and buffer names to compose the keys in state_dict. Default:
''.keep_vars (bool, optional) – by default the
Tensors returned in the state dict are detached from autograd. If it’s set toTrue, detaching will not be performed. Default:False.
- Returns:
dict – a dictionary containing a whole state of the module
Example:
>>> # xdoctest: +SKIP("undefined vars") >>> module.state_dict().keys() ['bias', 'weight']
- to(*args, **kwargs)#
Moves and/or casts the parameters and buffers.
This can be called as
- to(device=None, dtype=None, non_blocking=False)
- to(dtype, non_blocking=False)
- to(tensor, non_blocking=False)
- to(memory_format=torch.channels_last)
Its signature is similar to
torch.Tensor.to(), but only accepts floating point or complexdtypes. In addition, this method will only cast the floating point or complex parameters and buffers todtype(if given). The integral parameters and buffers will be moveddevice, if that is given, but with dtypes unchanged. Whennon_blockingis set, it tries to convert/move asynchronously with respect to the host if possible, e.g., moving CPU Tensors with pinned memory to CUDA devices.See below for examples.
Note
This method modifies the module in-place.
- Parameters:
device (
torch.device) – the desired device of the parameters and buffers in this moduledtype (
torch.dtype) – the desired floating point or complex dtype of the parameters and buffers in this moduletensor (torch.Tensor) – Tensor whose dtype and device are the desired dtype and device for all parameters and buffers in this module
memory_format (
torch.memory_format) – the desired memory format for 4D parameters and buffers in this module (keyword only argument)
- Returns:
Module – self
Examples:
>>> # xdoctest: +IGNORE_WANT("non-deterministic") >>> linear = nn.Linear(2, 2) >>> linear.weight Parameter containing: tensor([[ 0.1913, -0.3420], [-0.5113, -0.2325]]) >>> linear.to(torch.double) Linear(in_features=2, out_features=2, bias=True) >>> linear.weight Parameter containing: tensor([[ 0.1913, -0.3420], [-0.5113, -0.2325]], dtype=torch.float64) >>> # xdoctest: +REQUIRES(env:TORCH_DOCTEST_CUDA1) >>> gpu1 = torch.device("cuda:1") >>> linear.to(gpu1, dtype=torch.half, non_blocking=True) Linear(in_features=2, out_features=2, bias=True) >>> linear.weight Parameter containing: tensor([[ 0.1914, -0.3420], [-0.5112, -0.2324]], dtype=torch.float16, device='cuda:1') >>> cpu = torch.device("cpu") >>> linear.to(cpu) Linear(in_features=2, out_features=2, bias=True) >>> linear.weight Parameter containing: tensor([[ 0.1914, -0.3420], [-0.5112, -0.2324]], dtype=torch.float16) >>> linear = nn.Linear(2, 2, bias=None).to(torch.cdouble) >>> linear.weight Parameter containing: tensor([[ 0.3741+0.j, 0.2382+0.j], [ 0.5593+0.j, -0.4443+0.j]], dtype=torch.complex128) >>> linear(torch.ones(3, 2, dtype=torch.cdouble)) tensor([[0.6122+0.j, 0.1150+0.j], [0.6122+0.j, 0.1150+0.j], [0.6122+0.j, 0.1150+0.j]], dtype=torch.complex128)
- to_empty(*, device)#
Moves the parameters and buffers to the specified device without copying storage.
- Parameters:
device (
torch.device) – The desired device of the parameters and buffers in this module.- Return type:
TypeVar(T, bound= Module)- Returns:
Module – self
- train(mode=True)#
Sets the module in training mode.
This has any effect only on certain modules. See documentations of particular modules for details of their behaviors in training/evaluation mode, if they are affected, e.g.
Dropout,BatchNorm, etc.
- type(dst_type)#
Casts all parameters and buffers to
dst_type.Note
This method modifies the module in-place.
- xpu(device=None)#
Moves all model parameters and buffers to the XPU.
This also makes associated parameters and buffers different objects. So it should be called before constructing optimizer if the module will live on XPU while being optimized.
Note
This method modifies the module in-place.
- class tart.representation.models.WeightedGINConv(nn, eps=0, train_eps=False, **kwargs)[source]#
Bases:
MessagePassingWeightedGINConv implementation for PyG.
Initializes internal Module state, shared by both nn.Module and ScriptModule.
- add_module(name, module)#
Adds a child module to the current module.
The module can be accessed as an attribute using the given name.
- aggregate(inputs, index, ptr=None, dim_size=None)#
Aggregates messages from neighbors as \(\bigoplus_{j \in \mathcal{N}(i)}\).
Takes in the output of message computation as first argument and any argument which was initially passed to
propagate().By default, this function will delegate its call to the underlying
Aggregationmodule to reduce messages as specified in__init__()by theaggrargument.- Return type:
Tensor
- apply(fn)#
Applies
fnrecursively to every submodule (as returned by.children()) as well as self. Typical use includes initializing the parameters of a model (see also nn-init-doc).- Parameters:
fn (
Module-> None) – function to be applied to each submodule- Return type:
TypeVar(T, bound= Module)- Returns:
Module – self
Example:
>>> @torch.no_grad() >>> def init_weights(m): >>> print(m) >>> if type(m) == nn.Linear: >>> m.weight.fill_(1.0) >>> print(m.weight) >>> net = nn.Sequential(nn.Linear(2, 2), nn.Linear(2, 2)) >>> net.apply(init_weights) Linear(in_features=2, out_features=2, bias=True) Parameter containing: tensor([[1., 1.], [1., 1.]], requires_grad=True) Linear(in_features=2, out_features=2, bias=True) Parameter containing: tensor([[1., 1.], [1., 1.]], requires_grad=True) Sequential( (0): Linear(in_features=2, out_features=2, bias=True) (1): Linear(in_features=2, out_features=2, bias=True) )
- bfloat16()#
Casts all floating point parameters and buffers to
bfloat16datatype.Note
This method modifies the module in-place.
- Return type:
TypeVar(T, bound= Module)- Returns:
Module – self
- buffers(recurse=True)#
Returns an iterator over module buffers.
- Parameters:
recurse (bool) – if True, then yields buffers of this module and all submodules. Otherwise, yields only buffers that are direct members of this module.
- Yields:
torch.Tensor – module buffer
- Return type:
Iterator[Tensor]
Example:
>>> # xdoctest: +SKIP("undefined vars") >>> for buf in model.buffers(): >>> print(type(buf), buf.size()) <class 'torch.Tensor'> (20L,) <class 'torch.Tensor'> (20L, 1L, 5L, 5L)
- children()#
Returns an iterator over immediate children modules.
- Yields:
Module – a child module
- Return type:
Iterator[Module]
- cpu()#
Moves all model parameters and buffers to the CPU.
Note
This method modifies the module in-place.
- Return type:
TypeVar(T, bound= Module)- Returns:
Module – self
- cuda(device=None)#
Moves all model parameters and buffers to the GPU.
This also makes associated parameters and buffers different objects. So it should be called before constructing optimizer if the module will live on GPU while being optimized.
Note
This method modifies the module in-place.
- double()#
Casts all floating point parameters and buffers to
doubledatatype.Note
This method modifies the module in-place.
- Return type:
TypeVar(T, bound= Module)- Returns:
Module – self
- edge_update()#
Computes or updates features for each edge in the graph. This function can take any argument as input which was initially passed to
edge_updater(). Furthermore, tensors passed toedge_updater()can be mapped to the respective nodes \(i\) and \(j\) by appending_ior_jto the variable name, .e.g.x_iandx_j.- Return type:
Tensor
- edge_updater(edge_index, **kwargs)#
The initial call to compute or update features for each edge in the graph.
- Parameters:
edge_index (torch.Tensor or SparseTensor) – A
torch.Tensor, atorch_sparse.SparseTensoror atorch.sparse.Tensorthat defines the underlying graph connectivity/message passing flow. Seepropagate()for more information.**kwargs – Any additional data which is needed to compute or update features for each edge in the graph.
- eval()#
Sets the module in evaluation mode.
This has any effect only on certain modules. See documentations of particular modules for details of their behaviors in training/evaluation mode, if they are affected, e.g.
Dropout,BatchNorm, etc.This is equivalent with
self.train(False).See locally-disable-grad-doc for a comparison between .eval() and several similar mechanisms that may be confused with it.
- Return type:
TypeVar(T, bound= Module)- Returns:
Module – self
- extra_repr()#
Set the extra representation of the module
To print customized extra information, you should re-implement this method in your own modules. Both single-line and multi-line strings are acceptable.
- Return type:
- float()#
Casts all floating point parameters and buffers to
floatdatatype.Note
This method modifies the module in-place.
- Return type:
TypeVar(T, bound= Module)- Returns:
Module – self
- get_buffer(target)#
Returns the buffer given by
targetif it exists, otherwise throws an error.See the docstring for
get_submodulefor a more detailed explanation of this method’s functionality as well as how to correctly specifytarget.- Parameters:
target (
str) – The fully-qualified string name of the buffer to look for. (Seeget_submodulefor how to specify a fully-qualified string.)- Return type:
Tensor- Returns:
torch.Tensor – The buffer referenced by
target- Raises:
AttributeError – If the target string references an invalid path or resolves to something that is not a buffer
- get_extra_state()#
Returns any extra state to include in the module’s state_dict. Implement this and a corresponding
set_extra_state()for your module if you need to store extra state. This function is called when building the module’s state_dict().Note that extra state should be pickleable to ensure working serialization of the state_dict. We only provide provide backwards compatibility guarantees for serializing Tensors; other objects may break backwards compatibility if their serialized pickled form changes.
- Return type:
- Returns:
object – Any extra state to store in the module’s state_dict
- get_parameter(target)#
Returns the parameter given by
targetif it exists, otherwise throws an error.See the docstring for
get_submodulefor a more detailed explanation of this method’s functionality as well as how to correctly specifytarget.- Parameters:
target (
str) – The fully-qualified string name of the Parameter to look for. (Seeget_submodulefor how to specify a fully-qualified string.)- Return type:
Parameter- Returns:
torch.nn.Parameter – The Parameter referenced by
target- Raises:
AttributeError – If the target string references an invalid path or resolves to something that is not an
nn.Parameter
- get_submodule(target)#
Returns the submodule given by
targetif it exists, otherwise throws an error.For example, let’s say you have an
nn.ModuleAthat looks like this:A( (net_b): Module( (net_c): Module( (conv): Conv2d(16, 33, kernel_size=(3, 3), stride=(2, 2)) ) (linear): Linear(in_features=100, out_features=200, bias=True) ) )(The diagram shows an
nn.ModuleA.Ahas a nested submodulenet_b, which itself has two submodulesnet_candlinear.net_cthen has a submoduleconv.)To check whether or not we have the
linearsubmodule, we would callget_submodule("net_b.linear"). To check whether we have theconvsubmodule, we would callget_submodule("net_b.net_c.conv").The runtime of
get_submoduleis bounded by the degree of module nesting intarget. A query againstnamed_modulesachieves the same result, but it is O(N) in the number of transitive modules. So, for a simple check to see if some submodule exists,get_submoduleshould always be used.- Parameters:
target (
str) – The fully-qualified string name of the submodule to look for. (See above example for how to specify a fully-qualified string.)- Return type:
Module- Returns:
torch.nn.Module – The submodule referenced by
target- Raises:
AttributeError – If the target string references an invalid path or resolves to something that is not an
nn.Module
- half()#
Casts all floating point parameters and buffers to
halfdatatype.Note
This method modifies the module in-place.
- Return type:
TypeVar(T, bound= Module)- Returns:
Module – self
- ipu(device=None)#
Moves all model parameters and buffers to the IPU.
This also makes associated parameters and buffers different objects. So it should be called before constructing optimizer if the module will live on IPU while being optimized.
Note
This method modifies the module in-place.
- jittable(typing=None)#
Analyzes the
MessagePassinginstance and produces a new jittable module.
- load_state_dict(state_dict, strict=True)#
Copies parameters and buffers from
state_dictinto this module and its descendants. IfstrictisTrue, then the keys ofstate_dictmust exactly match the keys returned by this module’sstate_dict()function.- Parameters:
state_dict (dict) – a dict containing parameters and persistent buffers.
strict (bool, optional) – whether to strictly enforce that the keys in
state_dictmatch the keys returned by this module’sstate_dict()function. Default:True
- Returns:
NamedTuplewithmissing_keysandunexpected_keysfields – * missing_keys is a list of str containing the missing keys * unexpected_keys is a list of str containing the unexpected keys
Note
If a parameter or buffer is registered as
Noneand its corresponding key exists instate_dict,load_state_dict()will raise aRuntimeError.
- message(x_j, edge_weight)[source]#
Constructs messages from node \(j\) to node \(i\) in analogy to \(\phi_{\mathbf{\Theta}}\) for each edge in
edge_index. This function can take any argument as input which was initially passed topropagate(). Furthermore, tensors passed topropagate()can be mapped to the respective nodes \(i\) and \(j\) by appending_ior_jto the variable name, .e.g.x_iandx_j.
- message_and_aggregate(adj_t)#
Fuses computations of
message()andaggregate()into a single function. If applicable, this saves both time and memory since messages do not explicitly need to be materialized. This function will only gets called in case it is implemented and propagation takes place based on atorch_sparse.SparseTensoror atorch.sparse.Tensor.- Return type:
Tensor
- modules()#
Returns an iterator over all modules in the network.
- Yields:
Module – a module in the network
- Return type:
Iterator[Module]
Note
Duplicate modules are returned only once. In the following example,
lwill be returned only once.Example:
>>> l = nn.Linear(2, 2) >>> net = nn.Sequential(l, l) >>> for idx, m in enumerate(net.modules()): ... print(idx, '->', m) 0 -> Sequential( (0): Linear(in_features=2, out_features=2, bias=True) (1): Linear(in_features=2, out_features=2, bias=True) ) 1 -> Linear(in_features=2, out_features=2, bias=True)
- named_buffers(prefix='', recurse=True)#
Returns an iterator over module buffers, yielding both the name of the buffer as well as the buffer itself.
- Parameters:
- Yields:
(str, torch.Tensor) – Tuple containing the name and buffer
- Return type:
Example:
>>> # xdoctest: +SKIP("undefined vars") >>> for name, buf in self.named_buffers(): >>> if name in ['running_var']: >>> print(buf.size())
- named_children()#
Returns an iterator over immediate children modules, yielding both the name of the module as well as the module itself.
- Yields:
(str, Module) – Tuple containing a name and child module
Example:
>>> # xdoctest: +SKIP("undefined vars") >>> for name, module in model.named_children(): >>> if name in ['conv4', 'conv5']: >>> print(module)
- named_modules(memo=None, prefix='', remove_duplicate=True)#
Returns an iterator over all modules in the network, yielding both the name of the module as well as the module itself.
- Parameters:
- Yields:
(str, Module) – Tuple of name and module
Note
Duplicate modules are returned only once. In the following example,
lwill be returned only once.Example:
>>> l = nn.Linear(2, 2) >>> net = nn.Sequential(l, l) >>> for idx, m in enumerate(net.named_modules()): ... print(idx, '->', m) 0 -> ('', Sequential( (0): Linear(in_features=2, out_features=2, bias=True) (1): Linear(in_features=2, out_features=2, bias=True) )) 1 -> ('0', Linear(in_features=2, out_features=2, bias=True))
- named_parameters(prefix='', recurse=True)#
Returns an iterator over module parameters, yielding both the name of the parameter as well as the parameter itself.
- Parameters:
- Yields:
(str, Parameter) – Tuple containing the name and parameter
- Return type:
Example:
>>> # xdoctest: +SKIP("undefined vars") >>> for name, param in self.named_parameters(): >>> if name in ['bias']: >>> print(param.size())
- parameters(recurse=True)#
Returns an iterator over module parameters.
This is typically passed to an optimizer.
- Parameters:
recurse (bool) – if True, then yields parameters of this module and all submodules. Otherwise, yields only parameters that are direct members of this module.
- Yields:
Parameter – module parameter
- Return type:
Iterator[Parameter]
Example:
>>> # xdoctest: +SKIP("undefined vars") >>> for param in model.parameters(): >>> print(type(param), param.size()) <class 'torch.Tensor'> (20L,) <class 'torch.Tensor'> (20L, 1L, 5L, 5L)
- propagate(edge_index, size=None, **kwargs)#
The initial call to start propagating messages.
- Parameters:
edge_index (torch.Tensor or SparseTensor) – A
torch.Tensor, atorch_sparse.SparseTensoror atorch.sparse.Tensorthat defines the underlying graph connectivity/message passing flow.edge_indexholds the indices of a general (sparse) assignment matrix of shape[N, M]. Ifedge_indexis atorch.Tensor, itsdtypeshould betorch.longand its shape needs to be defined as[2, num_messages]where messages from nodes inedge_index[0]are sent to nodes inedge_index[1](in caseflow="source_to_target"). Ifedge_indexis atorch_sparse.SparseTensoror atorch.sparse.Tensor, its sparse indices(row, col)should relate torow = edge_index[1]andcol = edge_index[0]. The major difference between both formats is that we need to input the transposed sparse adjacency matrix intopropagate().size ((int, int), optional) – The size
(N, M)of the assignment matrix in caseedge_indexis atorch.Tensor. If set toNone, the size will be automatically inferred and assumed to be quadratic. This argument is ignored in caseedge_indexis atorch_sparse.SparseTensoror atorch.sparse.Tensor. (default:None)**kwargs – Any additional data which is needed to construct and aggregate messages, and to update node embeddings.
- register_aggregate_forward_hook(hook)#
Registers a forward hook on the module. The hook will be called every time after
aggregate()has computed an output. Seeregister_propagate_forward_hook()for more information.- Return type:
RemovableHandle
- register_aggregate_forward_pre_hook(hook)#
Registers a forward pre-hook on the module. The hook will be called every time before
aggregate()is invoked. Seeregister_propagate_forward_pre_hook()for more information.- Return type:
RemovableHandle
- register_backward_hook(hook)#
Registers a backward hook on the module.
This function is deprecated in favor of
register_full_backward_hook()and the behavior of this function will change in future versions.- Return type:
RemovableHandle- Returns:
torch.utils.hooks.RemovableHandle– a handle that can be used to remove the added hook by callinghandle.remove()
- register_buffer(name, tensor, persistent=True)#
Adds a buffer to the module.
This is typically used to register a buffer that should not to be considered a model parameter. For example, BatchNorm’s
running_meanis not a parameter, but is part of the module’s state. Buffers, by default, are persistent and will be saved alongside parameters. This behavior can be changed by settingpersistenttoFalse. The only difference between a persistent buffer and a non-persistent buffer is that the latter will not be a part of this module’sstate_dict.Buffers can be accessed as attributes using given names.
- Parameters:
name (str) – name of the buffer. The buffer can be accessed from this module using the given name
tensor (Tensor or None) – buffer to be registered. If
None, then operations that run on buffers, such ascuda, are ignored. IfNone, the buffer is not included in the module’sstate_dict.persistent (bool) – whether the buffer is part of this module’s
state_dict.
- Return type:
Example:
>>> # xdoctest: +SKIP("undefined vars") >>> self.register_buffer('running_mean', torch.zeros(num_features))
- register_edge_update_forward_hook(hook)#
Registers a forward hook on the module. The hook will be called every time after
edge_update()has computed an output. Seeregister_propagate_forward_hook()for more information.- Return type:
RemovableHandle
- register_edge_update_forward_pre_hook(hook)#
Registers a forward pre-hook on the module. The hook will be called every time before
edge_update()is invoked. Seeregister_propagate_forward_pre_hook()for more information.- Return type:
RemovableHandle
- register_forward_hook(hook)#
Registers a forward hook on the module.
The hook will be called every time after
forward()has computed an output. It should have the following signature:hook(module, input, output) -> None or modified output
The input contains only the positional arguments given to the module. Keyword arguments won’t be passed to the hooks and only to the
forward. The hook can modify the output. It can modify the input inplace but it will not have effect on forward since this is called afterforward()is called.- Return type:
RemovableHandle- Returns:
torch.utils.hooks.RemovableHandle– a handle that can be used to remove the added hook by callinghandle.remove()
- register_forward_pre_hook(hook)#
Registers a forward pre-hook on the module.
The hook will be called every time before
forward()is invoked. It should have the following signature:hook(module, input) -> None or modified input
The input contains only the positional arguments given to the module. Keyword arguments won’t be passed to the hooks and only to the
forward. The hook can modify the input. User can either return a tuple or a single modified value in the hook. We will wrap the value into a tuple if a single value is returned(unless that value is already a tuple).- Return type:
RemovableHandle- Returns:
torch.utils.hooks.RemovableHandle– a handle that can be used to remove the added hook by callinghandle.remove()
- register_full_backward_hook(hook)#
Registers a backward hook on the module.
The hook will be called every time the gradients with respect to module inputs are computed. The hook should have the following signature:
hook(module, grad_input, grad_output) -> tuple(Tensor) or None
The
grad_inputandgrad_outputare tuples that contain the gradients with respect to the inputs and outputs respectively. The hook should not modify its arguments, but it can optionally return a new gradient with respect to the input that will be used in place ofgrad_inputin subsequent computations.grad_inputwill only correspond to the inputs given as positional arguments and all kwarg arguments are ignored. Entries ingrad_inputandgrad_outputwill beNonefor all non-Tensor arguments.For technical reasons, when this hook is applied to a Module, its forward function will receive a view of each Tensor passed to the Module. Similarly the caller will receive a view of each Tensor returned by the Module’s forward function.
Warning
Modifying inputs or outputs inplace is not allowed when using backward hooks and will raise an error.
- Return type:
RemovableHandle- Returns:
torch.utils.hooks.RemovableHandle– a handle that can be used to remove the added hook by callinghandle.remove()
- register_load_state_dict_post_hook(hook)#
Registers a post hook to be run after module’s
load_state_dictis called.- It should have the following signature::
hook(module, incompatible_keys) -> None
The
moduleargument is the current module that this hook is registered on, and theincompatible_keysargument is aNamedTupleconsisting of attributesmissing_keysandunexpected_keys.missing_keysis alistofstrcontaining the missing keys andunexpected_keysis alistofstrcontaining the unexpected keys.The given incompatible_keys can be modified inplace if needed.
Note that the checks performed when calling
load_state_dict()withstrict=Trueare affected by modifications the hook makes tomissing_keysorunexpected_keys, as expected. Additions to either set of keys will result in an error being thrown whenstrict=True, and clearning out both missing and unexpected keys will avoid an error.- Returns:
torch.utils.hooks.RemovableHandle– a handle that can be used to remove the added hook by callinghandle.remove()
- register_message_and_aggregate_forward_hook(hook)#
Registers a forward hook on the module. The hook will be called every time after
message_and_aggregate()has computed an output. Seeregister_propagate_forward_hook()for more information.- Return type:
RemovableHandle
- register_message_and_aggregate_forward_pre_hook(hook)#
Registers a forward pre-hook on the module. The hook will be called every time before
message_and_aggregate()is invoked. Seeregister_propagate_forward_pre_hook()for more information.- Return type:
RemovableHandle
- register_message_forward_hook(hook)#
Registers a forward hook on the module. The hook will be called every time after
message()has computed an output. Seeregister_propagate_forward_hook()for more information.- Return type:
RemovableHandle
- register_message_forward_pre_hook(hook)#
Registers a forward pre-hook on the module. The hook will be called every time before
message()is invoked. Seeregister_propagate_forward_pre_hook()for more information.- Return type:
RemovableHandle
- register_module(name, module)#
Alias for
add_module().- Return type:
- register_parameter(name, param)#
Adds a parameter to the module.
The parameter can be accessed as an attribute using given name.
- Parameters:
name (str) – name of the parameter. The parameter can be accessed from this module using the given name
param (Parameter or None) – parameter to be added to the module. If
None, then operations that run on parameters, such ascuda, are ignored. IfNone, the parameter is not included in the module’sstate_dict.
- Return type:
- register_propagate_forward_hook(hook)#
Registers a forward hook on the module. The hook will be called every time after
propagate()has computed an output. It should have the following signature:hook(module, inputs, output) -> None or modified output
The hook can modify the output. Input keyword arguments are passed to the hook as a dictionary in
inputs[-1].Returns a
torch.utils.hooks.RemovableHandlethat can be used to remove the added hook by callinghandle.remove().- Return type:
RemovableHandle
- register_propagate_forward_pre_hook(hook)#
Registers a forward pre-hook on the module. The hook will be called every time before
propagate()is invoked. It should have the following signature:hook(module, inputs) -> None or modified input
The hook can modify the input. Input keyword arguments are passed to the hook as a dictionary in
inputs[-1].Returns a
torch.utils.hooks.RemovableHandlethat can be used to remove the added hook by callinghandle.remove().- Return type:
RemovableHandle
- requires_grad_(requires_grad=True)#
Change if autograd should record operations on parameters in this module.
This method sets the parameters’
requires_gradattributes in-place.This method is helpful for freezing part of the module for finetuning or training parts of a model individually (e.g., GAN training).
See locally-disable-grad-doc for a comparison between .requires_grad_() and several similar mechanisms that may be confused with it.
- set_extra_state(state)#
This function is called from
load_state_dict()to handle any extra state found within the state_dict. Implement this function and a correspondingget_extra_state()for your module if you need to store extra state within its state_dict.- Parameters:
state (dict) – Extra state from the state_dict
See
torch.Tensor.share_memory_()- Return type:
TypeVar(T, bound= Module)
- state_dict(*args, destination=None, prefix='', keep_vars=False)#
Returns a dictionary containing references to the whole state of the module.
Both parameters and persistent buffers (e.g. running averages) are included. Keys are corresponding parameter and buffer names. Parameters and buffers set to
Noneare not included.Note
The returned object is a shallow copy. It contains references to the module’s parameters and buffers.
Warning
Currently
state_dict()also accepts positional arguments fordestination,prefixandkeep_varsin order. However, this is being deprecated and keyword arguments will be enforced in future releases.Warning
Please avoid the use of argument
destinationas it is not designed for end-users.- Parameters:
destination (dict, optional) – If provided, the state of module will be updated into the dict and the same object is returned. Otherwise, an
OrderedDictwill be created and returned. Default:None.prefix (str, optional) – a prefix added to parameter and buffer names to compose the keys in state_dict. Default:
''.keep_vars (bool, optional) – by default the
Tensors returned in the state dict are detached from autograd. If it’s set toTrue, detaching will not be performed. Default:False.
- Returns:
dict – a dictionary containing a whole state of the module
Example:
>>> # xdoctest: +SKIP("undefined vars") >>> module.state_dict().keys() ['bias', 'weight']
- to(*args, **kwargs)#
Moves and/or casts the parameters and buffers.
This can be called as
- to(device=None, dtype=None, non_blocking=False)
- to(dtype, non_blocking=False)
- to(tensor, non_blocking=False)
- to(memory_format=torch.channels_last)
Its signature is similar to
torch.Tensor.to(), but only accepts floating point or complexdtypes. In addition, this method will only cast the floating point or complex parameters and buffers todtype(if given). The integral parameters and buffers will be moveddevice, if that is given, but with dtypes unchanged. Whennon_blockingis set, it tries to convert/move asynchronously with respect to the host if possible, e.g., moving CPU Tensors with pinned memory to CUDA devices.See below for examples.
Note
This method modifies the module in-place.
- Parameters:
device (
torch.device) – the desired device of the parameters and buffers in this moduledtype (
torch.dtype) – the desired floating point or complex dtype of the parameters and buffers in this moduletensor (torch.Tensor) – Tensor whose dtype and device are the desired dtype and device for all parameters and buffers in this module
memory_format (
torch.memory_format) – the desired memory format for 4D parameters and buffers in this module (keyword only argument)
- Returns:
Module – self
Examples:
>>> # xdoctest: +IGNORE_WANT("non-deterministic") >>> linear = nn.Linear(2, 2) >>> linear.weight Parameter containing: tensor([[ 0.1913, -0.3420], [-0.5113, -0.2325]]) >>> linear.to(torch.double) Linear(in_features=2, out_features=2, bias=True) >>> linear.weight Parameter containing: tensor([[ 0.1913, -0.3420], [-0.5113, -0.2325]], dtype=torch.float64) >>> # xdoctest: +REQUIRES(env:TORCH_DOCTEST_CUDA1) >>> gpu1 = torch.device("cuda:1") >>> linear.to(gpu1, dtype=torch.half, non_blocking=True) Linear(in_features=2, out_features=2, bias=True) >>> linear.weight Parameter containing: tensor([[ 0.1914, -0.3420], [-0.5112, -0.2324]], dtype=torch.float16, device='cuda:1') >>> cpu = torch.device("cpu") >>> linear.to(cpu) Linear(in_features=2, out_features=2, bias=True) >>> linear.weight Parameter containing: tensor([[ 0.1914, -0.3420], [-0.5112, -0.2324]], dtype=torch.float16) >>> linear = nn.Linear(2, 2, bias=None).to(torch.cdouble) >>> linear.weight Parameter containing: tensor([[ 0.3741+0.j, 0.2382+0.j], [ 0.5593+0.j, -0.4443+0.j]], dtype=torch.complex128) >>> linear(torch.ones(3, 2, dtype=torch.cdouble)) tensor([[0.6122+0.j, 0.1150+0.j], [0.6122+0.j, 0.1150+0.j], [0.6122+0.j, 0.1150+0.j]], dtype=torch.complex128)
- to_empty(*, device)#
Moves the parameters and buffers to the specified device without copying storage.
- Parameters:
device (
torch.device) – The desired device of the parameters and buffers in this module.- Return type:
TypeVar(T, bound= Module)- Returns:
Module – self
- train(mode=True)#
Sets the module in training mode.
This has any effect only on certain modules. See documentations of particular modules for details of their behaviors in training/evaluation mode, if they are affected, e.g.
Dropout,BatchNorm, etc.
- type(dst_type)#
Casts all parameters and buffers to
dst_type.Note
This method modifies the module in-place.
- update(inputs)#
Updates node embeddings in analogy to \(\gamma_{\mathbf{\Theta}}\) for each node \(i \in \mathcal{V}\). Takes in the output of aggregation as first argument and any argument which was initially passed to
propagate().- Return type:
Tensor
- xpu(device=None)#
Moves all model parameters and buffers to the XPU.
This also makes associated parameters and buffers different objects. So it should be called before constructing optimizer if the module will live on XPU while being optimized.
Note
This method modifies the module in-place.