Let Data and HeteroData implement FeatureStore (#4807)

CHANGELOG.md

@@ -5,6 +5,7 @@ The format is based on [Keep a Changelog](http://keepachangelog.com/en/1.0.0/).
 
 ## [2.0.5] - 2022-MM-DD
 ### Added
+- Added `FeatureStore` support to `Data` and `HeteroData` ([#4807](https://github.com/pyg-team/pytorch_geometric/pull/4807))
 - Added support for dense aggregations in `global_*_pool` ([#4827](https://github.com/pyg-team/pytorch_geometric/pull/4827))
 - Added Python version requirement ([#4825](https://github.com/pyg-team/pytorch_geometric/pull/4825))
 - Added TorchScript support to `JumpingKnowledge` module ([#4805](https://github.com/pyg-team/pytorch_geometric/pull/4805))

test/data/test_data.py

@@ -239,3 +239,28 @@ def my_attr1(self, value):
     data.my_attr1 = 2
     assert 'my_attr1' not in data._store
     assert data.my_attr1 == 2
+
+
+# Feature Store ###############################################################
+
+
+def test_basic_feature_store():
+    data = Data()
+    x = torch.randn(20, 20)
+
+    # Put tensor:
+    assert data.put_tensor(copy.deepcopy(x), attr_name='x', index=None)
+    assert torch.equal(data.x, x)
+
+    # Put (modify) tensor slice:
+    x[15:] = 0
+    data.put_tensor(0, attr_name='x', index=slice(15, None, None))
+
+    # Get tensor:
+    out = data.get_tensor(attr_name='x', index=None)
+    assert torch.equal(x, out)
+
+    # Remove tensor:
+    assert 'x' in data.__dict__['_store']
+    data.remove_tensor(attr_name='x', index=None)
+    assert 'x' not in data.__dict__['_store']

test/data/test_hetero_data.py

@@ -400,3 +400,30 @@ def test_hetero_data_to_canonical():
 
     with pytest.raises(TypeError, match="missing 1 required"):
         data['user', 'product']
+
+
+# Feature Store ###############################################################
+
+
+def test_basic_feature_store():
+    data = HeteroData()
+    x = torch.randn(20, 20)
+
+    # Put tensor:
+    assert data.put_tensor(copy.deepcopy(x), group_name='paper', attr_name='x',
+                           index=None)
+    assert torch.equal(data['paper'].x, x)
+
+    # Put (modify) tensor slice:
+    x[15:] = 0
+    data.put_tensor(0, group_name='paper', attr_name='x',
+                    index=slice(15, None, None))
+
+    # Get tensor:
+    out = data.get_tensor(group_name='paper', attr_name='x', index=None)
+    assert torch.equal(x, out)
+
+    # Remove tensor:
+    assert 'x' in data['paper'].__dict__['_mapping']
+    data.remove_tensor(group_name='paper', attr_name='x', index=None)
+    assert 'x' not in data['paper'].__dict__['_mapping']

torch_geometric/data/batch.py

@@ -23,8 +23,16 @@ def __call__(cls, *args, **kwargs):
             new_cls = base_cls
         else:
             name = f'{base_cls.__name__}{cls.__name__}'
+
+            # NOTE `MetaResolver` is necessary to resolve metaclass conflict
+            # problems between `DynamicInheritance` and the metaclass of
+            # `base_cls`. In particular, it creates a new common metaclass
+            # from the defined metaclasses.
+            class MetaResolver(type(cls), type(base_cls)):
+                pass
+
             if name not in globals():
-                globals()[name] = type(name, (cls, base_cls), {})
+                globals()[name] = MetaResolver(name, (cls, base_cls), {})
             new_cls = globals()[name]
 
         params = list(inspect.signature(base_cls.__init__).parameters.items())

torch_geometric/data/data.py

@@ -1,5 +1,6 @@
 import copy
 from collections.abc import Mapping, Sequence
+from dataclasses import dataclass
 from typing import (
     Any,
     Callable,
@@ -17,6 +18,12 @@
 from torch import Tensor
 from torch_sparse import SparseTensor
 
+from torch_geometric.data.feature_store import (
+    FeatureStore,
+    FeatureTensorType,
+    TensorAttr,
+    _field_status,
+)
 from torch_geometric.data.storage import (
     BaseStorage,
     EdgeStorage,
@@ -300,7 +307,16 @@ def contains_self_loops(self) -> bool:
 ###############################################################################
 
 
-class Data(BaseData):
+@dataclass
+class DataTensorAttr(TensorAttr):
+    r"""Attribute class for `Data`, which does not require a `group_name`."""
+    def __init__(self, attr_name=_field_status.UNSET,
+                 index=_field_status.UNSET):
+        # Treat group_name as optional, and move it to the end
+        super().__init__(None, attr_name, index)
+
+
+class Data(BaseData, FeatureStore):
     r"""A data object describing a homogeneous graph.
     The data object can hold node-level, link-level and graph-level attributes.
     In general, :class:`~torch_geometric.data.Data` tries to mimic the
@@ -348,7 +364,10 @@ class Data(BaseData):
     def __init__(self, x: OptTensor = None, edge_index: OptTensor = None,
                  edge_attr: OptTensor = None, y: OptTensor = None,
                  pos: OptTensor = None, **kwargs):
-        super().__init__()
+        # `Data` doesn't support group_name, so we need to adjust `TensorAttr`
+        # accordingly here to avoid requiring `group_name` to be set:
+        super().__init__(attr_cls=DataTensorAttr)
+
         self.__dict__['_store'] = GlobalStorage(_parent=self)
 
         if x is not None:
@@ -384,6 +403,9 @@ def __setattr__(self, key: str, value: Any):
     def __delattr__(self, key: str):
         delattr(self._store, key)
 
+    # TODO consider supporting the feature store interface for
+    # __getitem__, __setitem__, and __delitem__ so, for example, we
+    # can accept key: Union[str, TensorAttr] in __getitem__.
     def __getitem__(self, key: str) -> Any:
         return self._store[key]
 
@@ -692,6 +714,47 @@ def num_faces(self) -> Optional[int]:
             return self.face.size(self.__cat_dim__('face', self.face))
         return None
 
+    # FeatureStore interface ###########################################
+
+    def items(self):
+        r"""Returns an `ItemsView` over the stored attributes in the `Data`
+        object."""
+        return self._store.items()
+
+    def _put_tensor(self, tensor: FeatureTensorType, attr: TensorAttr) -> bool:
+        r"""Stores a feature tensor in node storage."""
+        out = getattr(self, attr.attr_name, None)
+        if out is not None and attr.index is not None:
+            # Attr name exists, handle index:
+            out[attr.index] = tensor
+        else:
+            # No attr name (or None index), just store tensor:
+            setattr(self, attr.attr_name, tensor)
+        return True
+
+    def _get_tensor(self, attr: TensorAttr) -> Optional[FeatureTensorType]:
+        r"""Obtains a feature tensor from node storage."""
+        # Retrieve tensor and index accordingly:
+        tensor = getattr(self, attr.attr_name, None)
+        if tensor is not None:
+            # TODO this behavior is a bit odd, since TensorAttr requires that
+            # we set `index`. So, we assume here that indexing by `None` is
+            # equivalent to not indexing at all, which is not in line with
+            # Python semantics.
+            return tensor[attr.index] if attr.index is not None else tensor
+        return None
+
+    def _remove_tensor(self, attr: TensorAttr) -> bool:
+        r"""Deletes a feature tensor from node storage."""
+        # Remove tensor entirely:
+        if hasattr(self, attr.attr_name):
+            delattr(self, attr.attr_name)
+            return True
+        return False
+
+    def __len__(self) -> int:
+        return BaseData.__len__(self)
+
 
 ###############################################################################
 

torch_geometric/data/feature_store.py

@@ -245,7 +245,7 @@ def __init__(self, attr_cls: Any = TensorAttr):
         attributes by subclassing :class:`TensorAttr` and passing the subclass
         as :obj:`attr_cls`."""
         super().__init__()
-        self._attr_cls = attr_cls
+        self.__dict__['_attr_cls'] = attr_cls
 
     # Core (CRUD) #############################################################
 

torch_geometric/data/hetero_data.py

@@ -10,6 +10,11 @@
 from torch_sparse import SparseTensor
 
 from torch_geometric.data.data import BaseData, Data, size_repr
+from torch_geometric.data.feature_store import (
+    FeatureStore,
+    FeatureTensorType,
+    TensorAttr,
+)
 from torch_geometric.data.storage import BaseStorage, EdgeStorage, NodeStorage
 from torch_geometric.typing import EdgeType, NodeType, QueryType
 from torch_geometric.utils import bipartite_subgraph, is_undirected
@@ -18,7 +23,7 @@
 NodeOrEdgeStorage = Union[NodeStorage, EdgeStorage]
 
 
-class HeteroData(BaseData):
+class HeteroData(BaseData, FeatureStore):
     r"""A data object describing a heterogeneous graph, holding multiple node
     and/or edge types in disjunct storage objects.
     Storage objects can hold either node-level, link-level or graph-level
@@ -92,6 +97,8 @@ class HeteroData(BaseData):
     DEFAULT_REL = 'to'
 
     def __init__(self, _mapping: Optional[Dict[str, Any]] = None, **kwargs):
+        super().__init__()
+
         self.__dict__['_global_store'] = BaseStorage(_parent=self)
         self.__dict__['_node_store_dict'] = {}
         self.__dict__['_edge_store_dict'] = {}
@@ -616,6 +623,52 @@ def _consistent_size(stores: List[BaseStorage]) -> List[str]:
 
         return data
 
+    # :obj:`FeatureStore` interface ###########################################
+
+    def _put_tensor(self, tensor: FeatureTensorType, attr: TensorAttr) -> bool:
+        r"""Stores a feature tensor in node storage."""
+        if not attr.is_set('index'):
+            attr.index = None
+
+        out = self._node_store_dict.get(attr.group_name, None)
+        if out:
+            # Group name exists, handle index or create new attribute name:
+            val = getattr(out, attr.attr_name)
+            if val is not None:
+                val[attr.index] = tensor
+            else:
+                setattr(self[attr.group_name], attr.attr_name, tensor)
+        else:
+            # No node storage found, just store tensor in new one:
+            setattr(self[attr.group_name], attr.attr_name, tensor)
+        return True
+
+    def _get_tensor(self, attr: TensorAttr) -> Optional[FeatureTensorType]:
+        r"""Obtains a feature tensor from node storage."""
+        # Retrieve tensor and index accordingly:
+        tensor = getattr(self[attr.group_name], attr.attr_name, None)
+        if tensor is not None:
+            # TODO this behavior is a bit odd, since TensorAttr requires that
+            # we set `index`. So, we assume here that indexing by `None` is
+            # equivalent to not indexing at all, which is not in line with
+            # Python semantics.
+            return tensor[attr.index] if attr.index is not None else tensor
+        return None
+
+    def _remove_tensor(self, attr: TensorAttr) -> bool:
+        r"""Deletes a feature tensor from node storage."""
+        # Remove tensor entirely:
+        if hasattr(self[attr.group_name], attr.attr_name):
+            delattr(self[attr.group_name], attr.attr_name)
+            return True
+        return False
+
+    def __len__(self) -> int:
+        return BaseData.__len__(self)
+
+    def __iter__(self):
+        raise NotImplementedError
+
 
 # Helper functions ############################################################