torch_geometric.loader

DataLoader

A data loader which merges data objects from a torch_geometric.data.Dataset to a mini-batch.

NodeLoader

A data loader that performs neighbor sampling from node information, using a generic BaseSampler implementation that defines a sample_from_nodes() function and is supported on the provided input data object.

LinkLoader

A data loader that performs neighbor sampling from link information, using a generic BaseSampler implementation that defines a sample_from_edges() function and is supported on the provided input data object.

NeighborLoader

A data loader that performs neighbor sampling as introduced in the "Inductive Representation Learning on Large Graphs" paper.

LinkNeighborLoader

A link-based data loader derived as an extension of the node-based torch_geometric.loader.NeighborLoader.

HGTLoader

The Heterogeneous Graph Sampler from the "Heterogeneous Graph Transformer" paper.

ClusterData

Clusters/partitions a graph data object into multiple subgraphs, as motivated by the "Cluster-GCN: An Efficient Algorithm for Training Deep and Large Graph Convolutional Networks" paper.

ClusterLoader

The data loader scheme from the "Cluster-GCN: An Efficient Algorithm for Training Deep and Large Graph Convolutional Networks" paper which merges partioned subgraphs and their between-cluster links from a large-scale graph data object to form a mini-batch.

GraphSAINTSampler

The GraphSAINT sampler base class from the "GraphSAINT: Graph Sampling Based Inductive Learning Method" paper.

GraphSAINTNodeSampler

The GraphSAINT node sampler class (see GraphSAINTSampler).

GraphSAINTEdgeSampler

The GraphSAINT edge sampler class (see GraphSAINTSampler).

GraphSAINTRandomWalkSampler

The GraphSAINT random walk sampler class (see GraphSAINTSampler).

ShaDowKHopSampler

The ShaDow \(k\)-hop sampler from the "Decoupling the Depth and Scope of Graph Neural Networks" paper.

RandomNodeSampler

A data loader that randomly samples nodes within a graph and returns their induced subgraph.

DataListLoader

A data loader which batches data objects from a torch_geometric.data.dataset to a Python list.

DenseDataLoader

A data loader which batches data objects from a torch_geometric.data.dataset to a torch_geometric.data.Batch object by stacking all attributes in a new dimension.

TemporalDataLoader

A data loader which merges succesive events of a torch_geometric.data.TemporalData to a mini-batch.

NeighborSampler

The neighbor sampler from the "Inductive Representation Learning on Large Graphs" paper, which allows for mini-batch training of GNNs on large-scale graphs where full-batch training is not feasible.

ImbalancedSampler

A weighted random sampler that randomly samples elements according to class distribution.

DynamicBatchSampler

Dynamically adds samples to a mini-batch up to a maximum size (either based on number of nodes or number of edges).

class DataLoader(dataset: Union[Dataset, List[BaseData]], batch_size: int = 1, shuffle: bool = False, follow_batch: Optional[List[str]] = None, exclude_keys: Optional[List[str]] = None, **kwargs)[source]

A data loader which merges data objects from a torch_geometric.data.Dataset to a mini-batch. Data objects can be either of type Data or HeteroData.

Parameters
  • dataset (Dataset) – The dataset from which to load the data.

  • batch_size (int, optional) – How many samples per batch to load. (default: 1)

  • shuffle (bool, optional) – If set to True, the data will be reshuffled at every epoch. (default: False)

  • follow_batch (List[str], optional) – Creates assignment batch vectors for each key in the list. (default: None)

  • exclude_keys (List[str], optional) – Will exclude each key in the list. (default: None)

  • **kwargs (optional) – Additional arguments of torch.utils.data.DataLoader.

class NodeLoader(data: Union[Data, HeteroData, Tuple[FeatureStore, GraphStore]], node_sampler: BaseSampler, input_nodes: Union[Tensor, None, str, Tuple[str, Optional[Tensor]]] = None, transform: Optional[Callable] = None, filter_per_worker: bool = False, **kwargs)[source]

A data loader that performs neighbor sampling from node information, using a generic BaseSampler implementation that defines a sample_from_nodes() function and is supported on the provided input data object.

Parameters
  • data (torch_geometric.data.Data or torch_geometric.data.HeteroData) – The Data or HeteroData graph object.

  • node_sampler (torch_geometric.sampler.BaseSampler) – The sampler implementation to be used with this loader. Note that the sampler implementation must be compatible with the input data object.

  • input_nodes (torch.Tensor or str or Tuple[str, torch.Tensor]) – The indices of nodes for which neighbors are sampled to create mini-batches. Needs to be either given as a torch.LongTensor or torch.BoolTensor. If set to None, all nodes will be considered. In heterogeneous graphs, needs to be passed as a tuple that holds the node type and node indices. (default: None)

  • transform (Callable, optional) – A function/transform that takes in a sampled mini-batch and returns a transformed version. (default: None)

  • filter_per_worker (bool, optional) – If set to True, will filter the returning data in each worker’s subprocess rather than in the main process. Setting this to True is generally not recommended: (1) it may result in too many open file handles, (2) it may slown down data loading, (3) it requires operating on CPU tensors. (default: False)

  • **kwargs (optional) – Additional arguments of torch.utils.data.DataLoader, such as batch_size, shuffle, drop_last or num_workers.

filter_fn(out: Union[SamplerOutput, HeteroSamplerOutput]) Union[Data, HeteroData][source]

Joins the sampled nodes with their corresponding features, returning the resulting (Data or HeteroData) object to be used downstream.

collate_fn(index: Tensor) Any[source]

Samples a subgraph from a batch of input nodes.

class LinkLoader(data: Union[Data, HeteroData, Tuple[FeatureStore, GraphStore]], link_sampler: BaseSampler, edge_label_index: Union[Tensor, None, Tuple[str, str, str], Tuple[Tuple[str, str, str], Optional[Tensor]]] = None, edge_label: Optional[Tensor] = None, edge_label_time: Optional[Tensor] = None, neg_sampling_ratio: float = 0.0, transform: Optional[Callable] = None, filter_per_worker: bool = False, **kwargs)[source]

A data loader that performs neighbor sampling from link information, using a generic BaseSampler implementation that defines a sample_from_edges() function and is supported on the provided input data object.

Parameters
  • data (torch_geometric.data.Data or torch_geometric.data.HeteroData) – The Data or HeteroData graph object.

  • link_sampler (torch_geometric.sampler.BaseSampler) – The sampler implementation to be used with this loader. Note that the sampler implementation must be compatible with the input data object.

  • edge_label_index (Tensor or EdgeType or Tuple[EdgeType, Tensor]) – The edge indices for which neighbors are sampled to create mini-batches. If set to None, all edges will be considered. In heterogeneous graphs, needs to be passed as a tuple that holds the edge type and corresponding edge indices. (default: None)

  • edge_label (Tensor, optional) – The labels of edge indices for which neighbors are sampled. Must be the same length as the edge_label_index. If set to None its set to torch.zeros(…) internally. (default: None)

  • edge_label_time (Tensor, optional) – The timestamps for edge indices for which neighbors are sampled. Must be the same length as edge_label_index. If set, temporal sampling will be used such that neighbors are guaranteed to fulfill temporal constraints, i.e., neighbors have an earlier timestamp than the ouput edge. The time_attr needs to be set for this to work. (default: None)

  • neg_sampling_ratio (float, optional) – the number of negative samples to include as a ratio of the number of positive examples (default: 0).

  • transform (Callable, optional) – A function/transform that takes in a sampled mini-batch and returns a transformed version. (default: None)

  • filter_per_worker (bool, optional) – If set to True, will filter the returning data in each worker’s subprocess rather than in the main process. Setting this to True is generally not recommended: (1) it may result in too many open file handles, (2) it may slown down data loading, (3) it requires operating on CPU tensors. (default: False)

  • **kwargs (optional) – Additional arguments of torch.utils.data.DataLoader, such as batch_size, shuffle, drop_last or num_workers.

filter_fn(out: Union[SamplerOutput, HeteroSamplerOutput]) Union[Data, HeteroData][source]

Joins the sampled nodes with their corresponding features, returning the resulting (Data or HeteroData) object to be used downstream.

collate_fn(index: Tuple[Tensor, Tensor, Tensor, Optional[Tensor]]) Any[source]

Samples a subgraph from a batch of input nodes.

class NeighborLoader(data: Union[Data, HeteroData, Tuple[FeatureStore, GraphStore]], num_neighbors: Union[List[int], Dict[Tuple[str, str, str], List[int]]], input_nodes: Union[Tensor, None, str, Tuple[str, Optional[Tensor]]] = None, replace: bool = False, directed: bool = True, temporal_strategy: str = 'uniform', time_attr: Optional[str] = None, transform: Optional[Callable] = None, is_sorted: bool = False, filter_per_worker: bool = False, neighbor_sampler: Optional[NeighborSampler] = None, **kwargs)[source]

A data loader that performs neighbor sampling as introduced in the “Inductive Representation Learning on Large Graphs” paper. This loader allows for mini-batch training of GNNs on large-scale graphs where full-batch training is not feasible.

More specifically, num_neighbors denotes how much neighbors are sampled for each node in each iteration. NeighborLoader takes in this list of num_neighbors and iteratively samples num_neighbors[i] for each node involved in iteration i - 1.

Sampled nodes are sorted based on the order in which they were sampled. In particular, the first batch_size nodes represent the set of original mini-batch nodes.

from torch_geometric.datasets import Planetoid
from torch_geometric.loader import NeighborLoader

data = Planetoid(path, name='Cora')[0]

loader = NeighborLoader(
    data,
    # Sample 30 neighbors for each node for 2 iterations
    num_neighbors=[30] * 2,
    # Use a batch size of 128 for sampling training nodes
    batch_size=128,
    input_nodes=data.train_mask,
)

sampled_data = next(iter(loader))
print(sampled_data.batch_size)
>>> 128

By default, the data loader will only include the edges that were originally sampled (directed = True). This option should only be used in case the number of hops is equivalent to the number of GNN layers. In case the number of GNN layers is greater than the number of hops, consider setting directed = False, which will include all edges between all sampled nodes (but is slightly slower as a result).

Furthermore, NeighborLoader works for both homogeneous graphs stored via Data as well as heterogeneous graphs stored via HeteroData. When operating in heterogeneous graphs, up to num_neighbors neighbors will be sampled for each edge_type. However, more fine-grained control over the amount of sampled neighbors of individual edge types is possible:

from torch_geometric.datasets import OGB_MAG
from torch_geometric.loader import NeighborLoader

hetero_data = OGB_MAG(path)[0]

loader = NeighborLoader(
    hetero_data,
    # Sample 30 neighbors for each node and edge type for 2 iterations
    num_neighbors={key: [30] * 2 for key in hetero_data.edge_types},
    # Use a batch size of 128 for sampling training nodes of type paper
    batch_size=128,
    input_nodes=('paper', hetero_data['paper'].train_mask),
)

sampled_hetero_data = next(iter(loader))
print(sampled_hetero_data['paper'].batch_size)
>>> 128

Note

For an example of using NeighborLoader, see examples/hetero/to_hetero_mag.py.

The NeighborLoader will return subgraphs where global node indices are mapped to local indices corresponding to this specific subgraph. However, often times it is desired to map the nodes of the current subgraph back to the global node indices. A simple trick to achieve this is to include this mapping as part of the data object:

# Assign each node its global node index:
data.n_id = torch.arange(data.num_nodes)

loader = NeighborLoader(data, ...)
sampled_data = next(iter(loader))
print(sampled_data.n_id)
Parameters
  • data (torch_geometric.data.Data or torch_geometric.data.HeteroData) – The Data or HeteroData graph object.

  • num_neighbors (List[int] or Dict[Tuple[str, str, str], List[int]]) – The number of neighbors to sample for each node in each iteration. In heterogeneous graphs, may also take in a dictionary denoting the amount of neighbors to sample for each individual edge type. If an entry is set to -1, all neighbors will be included.

  • input_nodes (torch.Tensor or str or Tuple[str, torch.Tensor]) – The indices of nodes for which neighbors are sampled to create mini-batches. Needs to be either given as a torch.LongTensor or torch.BoolTensor. If set to None, all nodes will be considered. In heterogeneous graphs, needs to be passed as a tuple that holds the node type and node indices. (default: None)

  • replace (bool, optional) – If set to True, will sample with replacement. (default: False)

  • directed (bool, optional) – If set to False, will include all edges between all sampled nodes. (default: True)

  • temporal_strategy (string, optional) – The sampling strategy when using temporal sampling ("uniform", "last"). If set to "uniform", will sample uniformly across neighbors that fulfill temporal constraints. If set to "last", will sample the last num_neighbors that fulfill temporal constraints. (default: "uniform")

  • time_attr (str, optional) – The name of the attribute that denotes timestamps for the nodes in the graph. If set, temporal sampling will be used such that neighbors are guaranteed to fulfill temporal constraints, i.e. neighbors have an earlier timestamp than the center node. (default: None)

  • transform (Callable, optional) – A function/transform that takes in a sampled mini-batch and returns a transformed version. (default: None)

  • is_sorted (bool, optional) – If set to True, assumes that edge_index is sorted by column. If time_attr is set, additionally requires that rows are sorted according to time within individual neighborhoods. This avoids internal re-sorting of the data and can improve runtime and memory efficiency. (default: False)

  • filter_per_worker (bool, optional) – If set to True, will filter the returning data in each worker’s subprocess rather than in the main process. Setting this to True is generally not recommended: (1) it may result in too many open file handles, (2) it may slown down data loading, (3) it requires operating on CPU tensors. (default: False)

  • **kwargs (optional) – Additional arguments of torch.utils.data.DataLoader, such as batch_size, shuffle, drop_last or num_workers.

class LinkNeighborLoader(data: Union[Data, HeteroData, Tuple[FeatureStore, GraphStore]], num_neighbors: Union[List[int], Dict[Tuple[str, str, str], List[int]]], edge_label_index: Union[Tensor, None, Tuple[str, str, str], Tuple[Tuple[str, str, str], Optional[Tensor]]] = None, edge_label: Optional[Tensor] = None, edge_label_time: Optional[Tensor] = None, replace: bool = False, directed: bool = True, temporal_strategy: str = 'uniform', neg_sampling_ratio: float = 0.0, time_attr: Optional[str] = None, transform: Optional[Callable] = None, is_sorted: bool = False, filter_per_worker: bool = False, neighbor_sampler: Optional[NeighborSampler] = None, **kwargs)[source]

A link-based data loader derived as an extension of the node-based torch_geometric.loader.NeighborLoader. This loader allows for mini-batch training of GNNs on large-scale graphs where full-batch training is not feasible.

More specifically, this loader first selects a sample of edges from the set of input edges edge_label_index (which may or not be edges in the original graph) and then constructs a subgraph from all the nodes present in this list by sampling num_neighbors neighbors in each iteration.

from torch_geometric.datasets import Planetoid
from torch_geometric.loader import LinkNeighborLoader

data = Planetoid(path, name='Cora')[0]

loader = LinkNeighborLoader(
    data,
    # Sample 30 neighbors for each node for 2 iterations
    num_neighbors=[30] * 2,
    # Use a batch size of 128 for sampling training nodes
    batch_size=128,
    edge_label_index=data.edge_index,
)

sampled_data = next(iter(loader))
print(sampled_data)
>>> Data(x=[1368, 1433], edge_index=[2, 3103], y=[1368],
         train_mask=[1368], val_mask=[1368], test_mask=[1368],
         edge_label_index=[2, 128])

It is additionally possible to provide edge labels for sampled edges, which are then added to the batch:

loader = LinkNeighborLoader(
    data,
    num_neighbors=[30] * 2,
    batch_size=128,
    edge_label_index=data.edge_index,
    edge_label=torch.ones(data.edge_index.size(1))
)

sampled_data = next(iter(loader))
print(sampled_data)
>>> Data(x=[1368, 1433], edge_index=[2, 3103], y=[1368],
         train_mask=[1368], val_mask=[1368], test_mask=[1368],
         edge_label_index=[2, 128], edge_label=[128])

The rest of the functionality mirrors that of NeighborLoader, including support for heterogenous graphs.

Note

neg_sampling_ratio is currently implemented in an approximate way, i.e. negative edges may contain false negatives.

Parameters
  • data (torch_geometric.data.Data or torch_geometric.data.HeteroData) – The Data or HeteroData graph object.

  • num_neighbors (List[int] or Dict[Tuple[str, str, str], List[int]]) – The number of neighbors to sample for each node in each iteration. In heterogeneous graphs, may also take in a dictionary denoting the amount of neighbors to sample for each individual edge type. If an entry is set to -1, all neighbors will be included.

  • edge_label_index (Tensor or EdgeType or Tuple[EdgeType, Tensor]) – The edge indices for which neighbors are sampled to create mini-batches. If set to None, all edges will be considered. In heterogeneous graphs, needs to be passed as a tuple that holds the edge type and corresponding edge indices. (default: None)

  • edge_label (Tensor, optional) – The labels of edge indices for which neighbors are sampled. Must be the same length as the edge_label_index. If set to None its set to torch.zeros(…) internally. (default: None)

  • edge_label_time (Tensor, optional) – The timestamps for edge indices for which neighbors are sampled. Must be the same length as edge_label_index. If set, temporal sampling will be used such that neighbors are guaranteed to fulfill temporal constraints, i.e., neighbors have an earlier timestamp than the ouput edge. The time_attr needs to be set for this to work. (default: None)

  • replace (bool, optional) – If set to True, will sample with replacement. (default: False)

  • directed (bool, optional) – If set to False, will include all edges between all sampled nodes. (default: True)

  • temporal_strategy (string, optional) – The sampling strategy when using temporal sampling ("uniform", "last"). If set to "uniform", will sample uniformly across neighbors that fulfill temporal constraints. If set to "last", will sample the last num_neighbors that fulfill temporal constraints. (default: "uniform")

  • neg_sampling_ratio (float, optional) – The ratio of sampled negative edges to the number of positive edges. If neg_sampling_ratio > 0 and in case edge_label does not exist, it will be automatically created and represents a binary classification task (1 = edge, 0 = no edge). If neg_sampling_ratio > 0 and in case edge_label exists, it has to be a categorical label from 0 to num_classes - 1. After negative sampling, label 0 represents negative edges, and labels 1 to num_classes represent the labels of positive edges. Note that returned labels are of type torch.float for binary classification (to facilitate the ease-of-use of F.binary_cross_entropy()) and of type torch.long for multi-class classification (to facilitate the ease-of-use of F.cross_entropy()). (default: 0.0).

  • time_attr (str, optional) – The name of the attribute that denotes timestamps for the nodes in the graph. Only used if edge_label_time is set. (default: None)

  • transform (Callable, optional) – A function/transform that takes in a sampled mini-batch and returns a transformed version. (default: None)

  • is_sorted (bool, optional) – If set to True, assumes that edge_index is sorted by column. If time_attr is set, additionally requires that rows are sorted according to time within individual neighborhoods. This avoids internal re-sorting of the data and can improve runtime and memory efficiency. (default: False)

  • filter_per_worker (bool, optional) – If set to True, will filter the returning data in each worker’s subprocess rather than in the main process. Setting this to True is generally not recommended: (1) it may result in too many open file handles, (2) it may slown down data loading, (3) it requires operating on CPU tensors. (default: False)

  • **kwargs (optional) – Additional arguments of torch.utils.data.DataLoader, such as batch_size, shuffle, drop_last or num_workers.

class HGTLoader(data: HeteroData, num_samples: Union[List[int], Dict[str, List[int]]], input_nodes: Union[str, Tuple[str, Optional[Tensor]]], is_sorted: bool = False, transform: Optional[Callable] = None, filter_per_worker: bool = False, **kwargs)[source]

The Heterogeneous Graph Sampler from the “Heterogeneous Graph Transformer” paper. This loader allows for mini-batch training of GNNs on large-scale graphs where full-batch training is not feasible.

HGTLoader tries to (1) keep a similar number of nodes and edges for each type and (2) keep the sampled sub-graph dense to minimize the information loss and reduce the sample variance.

Methodically, HGTLoader keeps track of a node budget for each node type, which is then used to determine the sampling probability of a node. In particular, the probability of sampling a node is determined by the number of connections to already sampled nodes and their node degrees. With this, HGTLoader will sample a fixed amount of neighbors for each node type in each iteration, as given by the num_samples argument.

Sampled nodes are sorted based on the order in which they were sampled. In particular, the first batch_size nodes represent the set of original mini-batch nodes.

Note

For an example of using HGTLoader, see examples/hetero/to_hetero_mag.py.

from torch_geometric.loader import HGTLoader
from torch_geometric.datasets import OGB_MAG

hetero_data = OGB_MAG(path)[0]

loader = HGTLoader(
    hetero_data,
    # Sample 512 nodes per type and per iteration for 4 iterations
    num_samples={key: [512] * 4 for key in hetero_data.node_types},
    # Use a batch size of 128 for sampling training nodes of type paper
    batch_size=128,
    input_nodes=('paper', hetero_data['paper'].train_mask),
)

sampled_hetero_data = next(iter(loader))
print(sampled_data.batch_size)
>>> 128
Parameters
  • data (torch_geometric.data.HeteroData) – The HeteroData graph data object.

  • num_samples (List[int] or Dict[str, List[int]]) – The number of nodes to sample in each iteration and for each node type. If given as a list, will sample the same amount of nodes for each node type.

  • input_nodes (str or Tuple[str, torch.Tensor]) – The indices of nodes for which neighbors are sampled to create mini-batches. Needs to be passed as a tuple that holds the node type and corresponding node indices. Node indices need to be either given as a torch.LongTensor or torch.BoolTensor. If node indices are set to None, all nodes of this specific type will be considered.

  • transform (Callable, optional) – A function/transform that takes in an a sampled mini-batch and returns a transformed version. (default: None)

  • is_sorted (bool, optional) – If set to True, assumes that edge_index is sorted by column. This avoids internal re-sorting of the data and can improve runtime and memory efficiency. (default: False)

  • filter_per_worker (bool, optional) – If set to True, will filter the returning data in each worker’s subprocess rather than in the main process. Setting this to True is generally not recommended: (1) it may result in too many open file handles, (2) it may slown down data loading, (3) it requires operating on CPU tensors. (default: False)

  • **kwargs (optional) – Additional arguments of torch.utils.data.DataLoader, such as batch_size, shuffle, drop_last or num_workers.

class ClusterData(data, num_parts: int, recursive: bool = False, save_dir: Optional[str] = None, log: bool = True)[source]

Clusters/partitions a graph data object into multiple subgraphs, as motivated by the “Cluster-GCN: An Efficient Algorithm for Training Deep and Large Graph Convolutional Networks” paper.

Note

The underlying METIS algorithm requires undirected graphs as input.

Parameters
  • data (torch_geometric.data.Data) – The graph data object.

  • num_parts (int) – The number of partitions.

  • recursive (bool, optional) – If set to True, will use multilevel recursive bisection instead of multilevel k-way partitioning. (default: False)

  • save_dir (string, optional) – If set, will save the partitioned data to the save_dir directory for faster re-use. (default: None)

  • log (bool, optional) – If set to False, will not log any progress. (default: True)

class ClusterLoader(cluster_data, **kwargs)[source]

The data loader scheme from the “Cluster-GCN: An Efficient Algorithm for Training Deep and Large Graph Convolutional Networks” paper which merges partioned subgraphs and their between-cluster links from a large-scale graph data object to form a mini-batch.

Note

Use ClusterData and ClusterLoader in conjunction to form mini-batches of clusters. For an example of using Cluster-GCN, see examples/cluster_gcn_reddit.py or examples/cluster_gcn_ppi.py.

Parameters
class GraphSAINTSampler(data, batch_size: int, num_steps: int = 1, sample_coverage: int = 0, save_dir: Optional[str] = None, log: bool = True, **kwargs)[source]

The GraphSAINT sampler base class from the “GraphSAINT: Graph Sampling Based Inductive Learning Method” paper. Given a graph in a data object, this class samples nodes and constructs subgraphs that can be processed in a mini-batch fashion. Normalization coefficients for each mini-batch are given via node_norm and edge_norm data attributes.

Note

See GraphSAINTNodeSampler, GraphSAINTEdgeSampler and GraphSAINTRandomWalkSampler for currently supported samplers. For an example of using GraphSAINT sampling, see examples/graph_saint.py.

Parameters
  • data (torch_geometric.data.Data) – The graph data object.

  • batch_size (int) – The approximate number of samples per batch.

  • num_steps (int, optional) – The number of iterations per epoch. (default: 1)

  • sample_coverage (int) – How many samples per node should be used to compute normalization statistics. (default: 0)

  • save_dir (string, optional) – If set, will save normalization statistics to the save_dir directory for faster re-use. (default: None)

  • log (bool, optional) – If set to False, will not log any pre-processing progress. (default: True)

  • **kwargs (optional) – Additional arguments of torch.utils.data.DataLoader, such as batch_size or num_workers.

class GraphSAINTNodeSampler(data, batch_size: int, num_steps: int = 1, sample_coverage: int = 0, save_dir: Optional[str] = None, log: bool = True, **kwargs)[source]

The GraphSAINT node sampler class (see GraphSAINTSampler).

class GraphSAINTEdgeSampler(data, batch_size: int, num_steps: int = 1, sample_coverage: int = 0, save_dir: Optional[str] = None, log: bool = True, **kwargs)[source]

The GraphSAINT edge sampler class (see GraphSAINTSampler).

class GraphSAINTRandomWalkSampler(data, batch_size: int, walk_length: int, num_steps: int = 1, sample_coverage: int = 0, save_dir: Optional[str] = None, log: bool = True, **kwargs)[source]

The GraphSAINT random walk sampler class (see GraphSAINTSampler).

Parameters

walk_length (int) – The length of each random walk.

class ShaDowKHopSampler(data: Data, depth: int, num_neighbors: int, node_idx: Optional[Tensor] = None, replace: bool = False, **kwargs)[source]

The ShaDow \(k\)-hop sampler from the “Decoupling the Depth and Scope of Graph Neural Networks” paper. Given a graph in a data object, the sampler will create shallow, localized subgraphs. A deep GNN on this local graph then smooths the informative local signals.

Note

For an example of using ShaDowKHopSampler, see examples/shadow.py.

Parameters
  • data (torch_geometric.data.Data) – The graph data object.

  • depth (int) – The depth/number of hops of the localized subgraph.

  • num_neighbors (int) – The number of neighbors to sample for each node in each hop.

  • node_idx (LongTensor or BoolTensor, optional) – The nodes that should be considered for creating mini-batches. If set to None, all nodes will be considered.

  • replace (bool, optional) – If set to True, will sample neighbors with replacement. (default: False)

  • **kwargs (optional) – Additional arguments of torch.utils.data.DataLoader, such as batch_size or num_workers.

class RandomNodeSampler(data, num_parts: int, shuffle: bool = False, **kwargs)[source]

A data loader that randomly samples nodes within a graph and returns their induced subgraph.

Note

For an example of using RandomNodeSampler, see examples/ogbn_proteins_deepgcn.py.

Parameters
class DataListLoader(dataset: Union[Dataset, List[BaseData]], batch_size: int = 1, shuffle: bool = False, **kwargs)[source]

A data loader which batches data objects from a torch_geometric.data.dataset to a Python list. Data objects can be either of type Data or HeteroData.

Note

This data loader should be used for multi-GPU support via torch_geometric.nn.DataParallel.

Parameters
  • dataset (Dataset) – The dataset from which to load the data.

  • batch_size (int, optional) – How many samples per batch to load. (default: 1)

  • shuffle (bool, optional) – If set to True, the data will be reshuffled at every epoch. (default: False)

  • **kwargs (optional) – Additional arguments of torch.utils.data.DataLoader, such as drop_last or num_workers.

class DenseDataLoader(dataset: Union[Dataset, List[Data]], batch_size: int = 1, shuffle: bool = False, **kwargs)[source]

A data loader which batches data objects from a torch_geometric.data.dataset to a torch_geometric.data.Batch object by stacking all attributes in a new dimension.

Note

To make use of this data loader, all graph attributes in the dataset need to have the same shape. In particular, this data loader should only be used when working with dense adjacency matrices.

Parameters
  • dataset (Dataset) – The dataset from which to load the data.

  • batch_size (int, optional) – How many samples per batch to load. (default: 1)

  • shuffle (bool, optional) – If set to True, the data will be reshuffled at every epoch. (default: False)

  • **kwargs (optional) – Additional arguments of torch.utils.data.DataLoader, such as drop_last or num_workers.

class TemporalDataLoader(data: TemporalData, batch_size: int = 1, **kwargs)[source]

A data loader which merges succesive events of a torch_geometric.data.TemporalData to a mini-batch.

Parameters
class NeighborSampler(edge_index: Union[Tensor, SparseTensor], sizes: List[int], node_idx: Optional[Tensor] = None, num_nodes: Optional[int] = None, return_e_id: bool = True, transform: Optional[Callable] = None, **kwargs)[source]

The neighbor sampler from the “Inductive Representation Learning on Large Graphs” paper, which allows for mini-batch training of GNNs on large-scale graphs where full-batch training is not feasible.

Given a GNN with \(L\) layers and a specific mini-batch of nodes node_idx for which we want to compute embeddings, this module iteratively samples neighbors and constructs bipartite graphs that simulate the actual computation flow of GNNs.

More specifically, sizes denotes how much neighbors we want to sample for each node in each layer. This module then takes in these sizes and iteratively samples sizes[l] for each node involved in layer l. In the next layer, sampling is repeated for the union of nodes that were already encountered. The actual computation graphs are then returned in reverse-mode, meaning that we pass messages from a larger set of nodes to a smaller one, until we reach the nodes for which we originally wanted to compute embeddings.

Hence, an item returned by NeighborSampler holds the current batch_size, the IDs n_id of all nodes involved in the computation, and a list of bipartite graph objects via the tuple (edge_index, e_id, size), where edge_index represents the bipartite edges between source and target nodes, e_id denotes the IDs of original edges in the full graph, and size holds the shape of the bipartite graph. For each bipartite graph, target nodes are also included at the beginning of the list of source nodes so that one can easily apply skip-connections or add self-loops.

Warning

NeighborSampler is deprecated and will be removed in a future release. Use torch_geometric.loader.NeighborLoader instead.

Note

For an example of using NeighborSampler, see examples/reddit.py or examples/ogbn_products_sage.py.

Parameters
  • edge_index (Tensor or SparseTensor) – A torch.LongTensor or a torch_sparse.SparseTensor that defines the underlying graph connectivity/message passing flow. edge_index holds the indices of a (sparse) symmetric adjacency matrix. If edge_index is of type torch.LongTensor, its shape must be defined as [2, num_edges], where messages from nodes edge_index[0] are sent to nodes in edge_index[1] (in case flow="source_to_target"). If edge_index is of type torch_sparse.SparseTensor, its sparse indices (row, col) should relate to row = edge_index[1] and col = edge_index[0]. The major difference between both formats is that we need to input the transposed sparse adjacency matrix.

  • sizes ([int]) – The number of neighbors to sample for each node in each layer. If set to sizes[l] = -1, all neighbors are included in layer l.

  • node_idx (LongTensor, optional) – The nodes that should be considered for creating mini-batches. If set to None, all nodes will be considered.

  • num_nodes (int, optional) – The number of nodes in the graph. (default: None)

  • return_e_id (bool, optional) – If set to False, will not return original edge indices of sampled edges. This is only useful in case when operating on graphs without edge features to save memory. (default: True)

  • transform (callable, optional) – A function/transform that takes in a sampled mini-batch and returns a transformed version. (default: None)

  • **kwargs (optional) – Additional arguments of torch.utils.data.DataLoader, such as batch_size, shuffle, drop_last or num_workers.

class ImbalancedSampler(dataset: Union[Dataset, Data, List[Data], Tensor], input_nodes: Optional[Tensor] = None, num_samples: Optional[int] = None)[source]

A weighted random sampler that randomly samples elements according to class distribution. As such, it will either remove samples from the majority class (under-sampling) or add more examples from the minority class (over-sampling).

Graph-level sampling:

from torch_geometric.loader import DataLoader, ImbalancedSampler

sampler = ImbalancedSampler(dataset)
loader = DataLoader(dataset, batch_size=64, sampler=sampler, ...)

Node-level sampling:

from torch_geometric.loader import NeighborLoader, ImbalancedSampler

sampler = ImbalancedSampler(data, input_nodes=data.train_mask)
loader = NeighborLoader(data, input_nodes=data.train_mask,
                        batch_size=64, num_neighbors=[-1, -1],
                        sampler=sampler, ...)

You can also pass in the class labels directly as a torch.Tensor:

from torch_geometric.loader import NeighborLoader, ImbalancedSampler

sampler = ImbalancedSampler(data.y)
loader = NeighborLoader(data, input_nodes=data.train_mask,
                        batch_size=64, num_neighbors=[-1, -1],
                        sampler=sampler, ...)
Parameters
  • dataset (Dataset or Data or Tensor) – The dataset or class distribution from which to sample the data, given either as a Dataset, Data, or torch.Tensor object.

  • input_nodes (Tensor, optional) – The indices of nodes that are used by the corresponding loader, e.g., by NeighborLoader. If set to None, all nodes will be considered. This argument should only be set for node-level loaders and does not have any effect when operating on a set of graphs as given by Dataset. (default: None)

  • num_samples (int, optional) – The number of samples to draw for a single epoch. If set to None, will sample as much elements as there exists in the underlying data. (default: None)

class DynamicBatchSampler(dataset: Dataset, max_num: int, mode: str = 'node', shuffle: bool = False, skip_too_big: bool = False, num_steps: Optional[int] = None)[source]

Dynamically adds samples to a mini-batch up to a maximum size (either based on number of nodes or number of edges). When data samples have a wide range in sizes, specifying a mini-batch size in terms of number of samples is not ideal and can cause CUDA OOM errors.

Within the DynamicBatchSampler, the number of steps per epoch is ambiguous, depending on the order of the samples. By default the __len__() will be undefined. This is fine for most cases but progress bars will be infinite. Alternatively, num_steps can be supplied to cap the number of mini-batches produced by the sampler.

from torch_geometric.loader import DataLoader, DynamicBatchSampler

sampler = DynamicBatchSampler(dataset, max_num=10000, mode="node")
loader = DataLoader(dataset, batch_sampler=sampler, ...)
Parameters
  • dataset (Dataset) – Dataset to sample from.

  • max_num (int) – Size of mini-batch to aim for in number of nodes or edges.

  • mode (str, optional) – "node" or "edge" to measure batch size. (default: "node")

  • shuffle (bool, optional) – If set to True, will have the data reshuffled at every epoch. (default: False)

  • skip_too_big (bool, optional) – If set to True, skip samples which cannot fit in a batch by itself. (default: False)

  • num_steps (int, optional) – The number of mini-batches to draw for a single epoch. If set to None, will iterate through all the underlying examples, but __len__() will be None since it is be ambiguous. (default: None)