refactor(sampler): consolidate sampling interface, part 1

CHANGELOG.md

@@ -5,6 +5,8 @@ The format is based on [Keep a Changelog](http://keepachangelog.com/en/1.0.0/).
 
 ## [2.2.0] - 2022-MM-DD
 ### Added
+- Consolidated sampler routines behind `torch_geometric.sampler`, enabling ease of extensibility in the future ([#5312](https://github.com/pyg-team/pytorch_geometric/pull/5312))
+- Enabled `bf16` support in benchmark scripts ([#5293](https://github.com/pyg-team/pytorch_geometric/pull/5293))
 - Added `pyg_lib.segment_matmul` integration within `HeteroLinear` ([#5330](https://github.com/pyg-team/pytorch_geometric/pull/5330), [#5347](https://github.com/pyg-team/pytorch_geometric/pull/5347)))
 - Enabled `bf16` support in benchmark scripts ([#5293](https://github.com/pyg-team/pytorch_geometric/pull/5293), [#5341](https://github.com/pyg-team/pytorch_geometric/pull/5341))
 - Added `Aggregation.set_validate_args` option to skip validation of `dim_size` ([#5290](https://github.com/pyg-team/pytorch_geometric/pull/5290))

torch_geometric/data/graph_store.py

@@ -424,7 +424,7 @@ def to_csc(
                 f"Edge {edge_attr.edge_type} cannot be converted "
                 f"to a different type without specifying 'size' for "
                 f"the source and destination node types (got {size}). "
-                f"Please specify these parameters for successful execution. ")
+                f"Please specify these parameters for successful execution.")
         (row, col) = adj
         if not is_sorted:
             perm = (col * size[0]).add_(row).argsort()

torch_geometric/loader/hgt_loader.py

@@ -5,7 +5,8 @@
 
 from torch_geometric.data import HeteroData
 from torch_geometric.loader.base import DataLoaderIterator
-from torch_geometric.loader.utils import filter_hetero_data, to_hetero_csc
+from torch_geometric.loader.utils import filter_hetero_data
+from torch_geometric.sampler.utils import to_hetero_csc
 from torch_geometric.typing import NodeType
 
 

torch_geometric/loader/link_neighbor_loader.py

@@ -9,15 +9,17 @@
 from torch_geometric.data.feature_store import FeatureStore
 from torch_geometric.data.graph_store import GraphStore
 from torch_geometric.loader.base import DataLoaderIterator
-from torch_geometric.loader.neighbor_loader import NeighborSampler
 from torch_geometric.loader.utils import (
     filter_custom_store,
     filter_data,
     filter_hetero_data,
 )
+from torch_geometric.sampler import NeighborSampler
 from torch_geometric.typing import InputEdges, NumNeighbors, OptTensor
 
 
+# TODO(manan) clean this up, align with NeighborSampler interface and
+# implementation:
 class LinkNeighborSampler(NeighborSampler):
     def __init__(
         self,
@@ -93,6 +95,10 @@ def update_time_(node_time_dict, index, node_type, num_nodes):
                      self.num_dst_nodes)
         return node_time_dict
 
+    def sample(self, index):
+        # TODO(manan): remove after proper integration with interface
+        pass
+
     def __call__(self, query: List[Tuple[Tensor]]):
         query = [torch.stack(s, dim=0) for s in zip(*query)]
         edge_label_index = torch.stack(query[:2], dim=0)

torch_geometric/loader/neighbor_loader.py

@@ -1,5 +1,5 @@
 from collections.abc import Sequence
-from typing import Any, Callable, Dict, Iterator, List, Optional, Tuple, Union
+from typing import Any, Callable, Iterator, List, Optional, Tuple, Union
 
 import torch
 from torch import Tensor
@@ -9,208 +9,14 @@
 from torch_geometric.data.graph_store import GraphStore
 from torch_geometric.loader.base import DataLoaderIterator
 from torch_geometric.loader.utils import (
-    edge_type_to_str,
     filter_custom_store,
     filter_data,
     filter_hetero_data,
-    to_csc,
-    to_hetero_csc,
 )
+from torch_geometric.sampler import NeighborSampler
 from torch_geometric.typing import InputNodes, NumNeighbors
 
 
-class NeighborSampler:
-    def __init__(
-        self,
-        data: Union[Data, HeteroData, Tuple[FeatureStore, GraphStore]],
-        num_neighbors: NumNeighbors,
-        replace: bool = False,
-        directed: bool = True,
-        input_type: Optional[Any] = None,
-        time_attr: Optional[str] = None,
-        is_sorted: bool = False,
-        share_memory: bool = False,
-    ):
-        self.data_cls = data.__class__ if isinstance(
-            data, (Data, HeteroData)) else 'custom'
-        self.num_neighbors = num_neighbors
-        self.replace = replace
-        self.directed = directed
-        self.node_time = None
-
-        # TODO Unify the following conditionals behind the `FeatureStore`
-        # and `GraphStore` API
-
-        # If we are working with a `Data` object, convert the edge_index to
-        # CSC and store it:
-        if isinstance(data, Data):
-            if time_attr is not None:
-                # TODO `time_attr` support for homogeneous graphs
-                raise ValueError(
-                    f"'time_attr' attribute not yet supported for "
-                    f"'{data.__class__.__name__}' object")
-
-            # Convert the graph data into a suitable format for sampling.
-            out = to_csc(data, device='cpu', share_memory=share_memory,
-                         is_sorted=is_sorted)
-            self.colptr, self.row, self.perm = out
-            assert isinstance(num_neighbors, (list, tuple))
-
-        # If we are working with a `HeteroData` object, convert each edge
-        # type's edge_index to CSC and store it:
-        elif isinstance(data, HeteroData):
-            if time_attr is not None:
-                self.node_time_dict = data.collect(time_attr)
-            else:
-                self.node_time_dict = None
-
-            # Convert the graph data into a suitable format for sampling.
-            # NOTE: Since C++ cannot take dictionaries with tuples as key as
-            # input, edge type triplets are converted into single strings.
-            out = to_hetero_csc(data, device='cpu', share_memory=share_memory,
-                                is_sorted=is_sorted)
-            self.colptr_dict, self.row_dict, self.perm_dict = out
-
-            self.node_types, self.edge_types = data.metadata()
-            self._set_num_neighbors_and_num_hops(num_neighbors)
-
-            assert input_type is not None
-            self.input_type = input_type
-
-        # If we are working with a `Tuple[FeatureStore, GraphStore]` object,
-        # obtain edges from GraphStore and convert them to CSC if necessary,
-        # storing the resulting representations:
-        elif isinstance(data, tuple):
-            # TODO support `FeatureStore` with no edge types (e.g. `Data`)
-            feature_store, graph_store = data
-
-            # TODO support `collect` on `FeatureStore`
-            self.node_time_dict = None
-            if time_attr is not None:
-                # We need to obtain all features with 'attr_name=time_attr'
-                # from the feature store and store them in node_time_dict. To
-                # do so, we make an explicit feature store GET call here with
-                # the relevant 'TensorAttr's
-                time_attrs = [
-                    attr for attr in feature_store.get_all_tensor_attrs()
-                    if attr.attr_name == time_attr
-                ]
-                for attr in time_attrs:
-                    attr.index = None
-                time_tensors = feature_store.multi_get_tensor(time_attrs)
-                self.node_time_dict = {
-                    time_attr.group_name: time_tensor
-                    for time_attr, time_tensor in zip(time_attrs, time_tensors)
-                }
-
-            # Obtain all node and edge metadata:
-            node_attrs = feature_store.get_all_tensor_attrs()
-            edge_attrs = graph_store.get_all_edge_attrs()
-
-            self.node_types = list(
-                set(node_attr.group_name for node_attr in node_attrs))
-            self.edge_types = list(
-                set(edge_attr.edge_type for edge_attr in edge_attrs))
-
-            # Set other required parameters:
-            self._set_num_neighbors_and_num_hops(num_neighbors)
-
-            assert input_type is not None
-            self.input_type = input_type
-
-            # Obtain CSC representations for in-memory sampling:
-            row_dict, colptr_dict, perm_dict = graph_store.csc()
-            self.row_dict = {
-                edge_type_to_str(k): v
-                for k, v in row_dict.items()
-            }
-            self.colptr_dict = {
-                edge_type_to_str(k): v
-                for k, v in colptr_dict.items()
-            }
-            self.perm_dict = {
-                edge_type_to_str(k): v
-                for k, v in perm_dict.items()
-            }
-
-        else:
-            raise TypeError(f'NeighborLoader found invalid type: {type(data)}')
-
-    def _set_num_neighbors_and_num_hops(self, num_neighbors):
-        if isinstance(num_neighbors, (list, tuple)):
-            num_neighbors = {key: num_neighbors for key in self.edge_types}
-        assert isinstance(num_neighbors, dict)
-        self.num_neighbors = {
-            edge_type_to_str(key): value
-            for key, value in num_neighbors.items()
-        }
-        # Add at least one element to the list to ensure `max` is well-defined
-        self.num_hops = max([0] + [len(v) for v in num_neighbors.values()])
-
-    def _sparse_neighbor_sample(self, index: Tensor):
-        fn = torch.ops.torch_sparse.neighbor_sample
-        node, row, col, edge = fn(
-            self.colptr,
-            self.row,
-            index,
-            self.num_neighbors,
-            self.replace,
-            self.directed,
-        )
-        return node, row, col, edge
-
-    def _hetero_sparse_neighbor_sample(self, index_dict: Dict[str, Tensor],
-                                       **kwargs):
-        if self.node_time_dict is None:
-            fn = torch.ops.torch_sparse.hetero_neighbor_sample
-            node_dict, row_dict, col_dict, edge_dict = fn(
-                self.node_types,
-                self.edge_types,
-                self.colptr_dict,
-                self.row_dict,
-                index_dict,
-                self.num_neighbors,
-                self.num_hops,
-                self.replace,
-                self.directed,
-            )
-        else:
-            try:
-                fn = torch.ops.torch_sparse.hetero_temporal_neighbor_sample
-            except RuntimeError as e:
-                raise RuntimeError(
-                    "'torch_sparse' operator "
-                    "'hetero_temporal_neighbor_sample' not "
-                    "found. Currently requires building "
-                    "'torch_sparse' from master.", e)
-
-            node_dict, row_dict, col_dict, edge_dict = fn(
-                self.node_types,
-                self.edge_types,
-                self.colptr_dict,
-                self.row_dict,
-                index_dict,
-                self.num_neighbors,
-                kwargs.get('node_time_dict', self.node_time_dict),
-                self.num_hops,
-                self.replace,
-                self.directed,
-            )
-        return node_dict, row_dict, col_dict, edge_dict
-
-    def __call__(self, index: Union[List[int], Tensor]):
-        if not isinstance(index, torch.LongTensor):
-            index = torch.LongTensor(index)
-
-        if self.data_cls != 'custom' and issubclass(self.data_cls, Data):
-            return self._sparse_neighbor_sample(index) + (index.numel(), )
-
-        elif self.data_cls == 'custom' or issubclass(self.data_cls,
-                                                     HeteroData):
-            return self._hetero_sparse_neighbor_sample(
-                {self.input_type: index}) + (index.numel(), )
-
-
 class NeighborLoader(torch.utils.data.DataLoader):
     r"""A data loader that performs neighbor sampling as introduced in the
     `"Inductive Representation Learning on Large Graphs"
@@ -400,6 +206,7 @@ def __init__(
         super().__init__(input_nodes, collate_fn=self.collate_fn, **kwargs)
 
     def filter_fn(self, out: Any) -> Union[Data, HeteroData]:
+        # TODO(manan): remove special access of input_type and perm_dict here:
         if isinstance(self.data, Data):
             node, row, col, edge, batch_size = out
             data = filter_data(self.data, node, row, col, edge,