[Type Hints] utils.is_undirected and utils.to_undirected

CHANGELOG.md

@@ -46,7 +46,7 @@ The format is based on [Keep a Changelog](http://keepachangelog.com/en/1.0.0/).
 - Support `in_channels` with `tuple` in `GENConv` for bipartite message passing ([#5627](https://github.com/pyg-team/pytorch_geometric/pull/5627), [#5641](https://github.com/pyg-team/pytorch_geometric/pull/5641))
 - Handle cases of not having enough possible negative edges in `RandomLinkSplit` ([#5642](https://github.com/pyg-team/pytorch_geometric/pull/5642))
 - Fix `RGCN+pyg-lib` for `LongTensor` input ([#5610](https://github.com/pyg-team/pytorch_geometric/pull/5610))
-- Improved type hint support ([#5603](https://github.com/pyg-team/pytorch_geometric/pull/5603), [#5659](https://github.com/pyg-team/pytorch_geometric/pull/5659), [#5664](https://github.com/pyg-team/pytorch_geometric/pull/5664), [#5665](https://github.com/pyg-team/pytorch_geometric/pull/5665), [#5666](https://github.com/pyg-team/pytorch_geometric/pull/5666), [#5667](https://github.com/pyg-team/pytorch_geometric/pull/5667), [#5668](https://github.com/pyg-team/pytorch_geometric/pull/5668), [#5669](https://github.com/pyg-team/pytorch_geometric/pull/5669), [#5673](https://github.com/pyg-team/pytorch_geometric/pull/5673), [#5675](https://github.com/pyg-team/pytorch_geometric/pull/5675), [#5673](https://github.com/pyg-team/pytorch_geometric/pull/5676), [#5678](https://github.com/pyg-team/pytorch_geometric/pull/5678), [#5682](https://github.com/pyg-team/pytorch_geometric/pull/5682), [#5683](https://github.com/pyg-team/pytorch_geometric/pull/5683), [#5684](https://github.com/pyg-team/pytorch_geometric/pull/5684), [#5685](https://github.com/pyg-team/pytorch_geometric/pull/5685), [#5687](https://github.com/pyg-team/pytorch_geometric/pull/5687), [#5688](https://github.com/pyg-team/pytorch_geometric/pull/5688), [#5695](https://github.com/pyg-team/pytorch_geometric/pull/5695), [#5699](https://github.com/pyg-team/pytorch_geometric/pull/5699), [#5701](https://github.com/pyg-team/pytorch_geometric/pull/5701), [#5702](https://github.com/pyg-team/pytorch_geometric/pull/5702), [#5703](https://github.com/pyg-team/pytorch_geometric/pull/5703), [#5706](https://github.com/pyg-team/pytorch_geometric/pull/5706), [#5707](https://github.com/pyg-team/pytorch_geometric/pull/5707), [#5710](https://github.com/pyg-team/pytorch_geometric/pull/5710), [#5714](https://github.com/pyg-team/pytorch_geometric/pull/5714), [#5715](https://github.com/pyg-team/pytorch_geometric/pull/5715), [#5722](https://github.com/pyg-team/pytorch_geometric/pull/5722), [#5724](https://github.com/pyg-team/pytorch_geometric/pull/5724), [#5725](https://github.com/pyg-team/pytorch_geometric/pull/5725), [#5726](https://github.com/pyg-team/pytorch_geometric/pull/5726), [#5729](https://github.com/pyg-team/pytorch_geometric/pull/5729), [#5730](https://github.com/pyg-team/pytorch_geometric/pull/5730), [#5732](https://github.com/pyg-team/pytorch_geometric/pull/5732), [#5733](https://github.com/pyg-team/pytorch_geometric/pull/5733), [#5743](https://github.com/pyg-team/pytorch_geometric/pull/5743), [#5734](https://github.com/pyg-team/pytorch_geometric/pull/5734), [#5735](https://github.com/pyg-team/pytorch_geometric/pull/5735), [#5736](https://github.com/pyg-team/pytorch_geometric/pull/5736), [#5737](https://github.com/pyg-team/pytorch_geometric/pull/5737), [#5747](https://github.com/pyg-team/pytorch_geometric/pull/5747), [#5752](https://github.com/pyg-team/pytorch_geometric/pull/5752), [#5753](https://github.com/pyg-team/pytorch_geometric/pull/5753), [#5760](https://github.com/pyg-team/pytorch_geometric/pull/5760), [#5754](https://github.com/pyg-team/pytorch_geometric/pull/5754), [#5757](https://github.com/pyg-team/pytorch_geometric/pull/5757))
+- Improved type hint support ([#5603](https://github.com/pyg-team/pytorch_geometric/pull/5603), [#5659](https://github.com/pyg-team/pytorch_geometric/pull/5659), [#5664](https://github.com/pyg-team/pytorch_geometric/pull/5664), [#5665](https://github.com/pyg-team/pytorch_geometric/pull/5665), [#5666](https://github.com/pyg-team/pytorch_geometric/pull/5666), [#5667](https://github.com/pyg-team/pytorch_geometric/pull/5667), [#5668](https://github.com/pyg-team/pytorch_geometric/pull/5668), [#5669](https://github.com/pyg-team/pytorch_geometric/pull/5669), [#5673](https://github.com/pyg-team/pytorch_geometric/pull/5673), [#5675](https://github.com/pyg-team/pytorch_geometric/pull/5675), [#5673](https://github.com/pyg-team/pytorch_geometric/pull/5676), [#5678](https://github.com/pyg-team/pytorch_geometric/pull/5678), [#5682](https://github.com/pyg-team/pytorch_geometric/pull/5682), [#5683](https://github.com/pyg-team/pytorch_geometric/pull/5683), [#5684](https://github.com/pyg-team/pytorch_geometric/pull/5684), [#5685](https://github.com/pyg-team/pytorch_geometric/pull/5685), [#5687](https://github.com/pyg-team/pytorch_geometric/pull/5687), [#5688](https://github.com/pyg-team/pytorch_geometric/pull/5688), [#5695](https://github.com/pyg-team/pytorch_geometric/pull/5695), [#5699](https://github.com/pyg-team/pytorch_geometric/pull/5699), [#5701](https://github.com/pyg-team/pytorch_geometric/pull/5701), [#5702](https://github.com/pyg-team/pytorch_geometric/pull/5702), [#5703](https://github.com/pyg-team/pytorch_geometric/pull/5703), [#5706](https://github.com/pyg-team/pytorch_geometric/pull/5706), [#5707](https://github.com/pyg-team/pytorch_geometric/pull/5707), [#5710](https://github.com/pyg-team/pytorch_geometric/pull/5710), [#5714](https://github.com/pyg-team/pytorch_geometric/pull/5714), [#5715](https://github.com/pyg-team/pytorch_geometric/pull/5715), [#5722](https://github.com/pyg-team/pytorch_geometric/pull/5722), [#5724](https://github.com/pyg-team/pytorch_geometric/pull/5724), [#5725](https://github.com/pyg-team/pytorch_geometric/pull/5725), [#5726](https://github.com/pyg-team/pytorch_geometric/pull/5726), [#5729](https://github.com/pyg-team/pytorch_geometric/pull/5729), [#5730](https://github.com/pyg-team/pytorch_geometric/pull/5730), [#5732](https://github.com/pyg-team/pytorch_geometric/pull/5732), [#5733](https://github.com/pyg-team/pytorch_geometric/pull/5733), [#5743](https://github.com/pyg-team/pytorch_geometric/pull/5743), [#5734](https://github.com/pyg-team/pytorch_geometric/pull/5734), [#5735](https://github.com/pyg-team/pytorch_geometric/pull/5735), [#5736](https://github.com/pyg-team/pytorch_geometric/pull/5736), [#5737](https://github.com/pyg-team/pytorch_geometric/pull/5737), [#5747](https://github.com/pyg-team/pytorch_geometric/pull/5747), [#5752](https://github.com/pyg-team/pytorch_geometric/pull/5752), [#5753](https://github.com/pyg-team/pytorch_geometric/pull/5753), [#5760](https://github.com/pyg-team/pytorch_geometric/pull/5760), [#5754](https://github.com/pyg-team/pytorch_geometric/pull/5754), [#5757](https://github.com/pyg-team/pytorch_geometric/pull/5757), [#5767](https://github.com/pyg-team/pytorch_geometric/pull/5767))
 - Avoid modifying `mode_kwargs` in `MultiAggregation` ([#5601](https://github.com/pyg-team/pytorch_geometric/pull/5601))
 - Changed `BatchNorm` to allow for batches of size one during training ([#5530](https://github.com/pyg-team/pytorch_geometric/pull/5530), [#5614](https://github.com/pyg-team/pytorch_geometric/pull/5614))
 - Integrated better temporal sampling support by requiring that local neighborhoods are sorted according to time ([#5516](https://github.com/pyg-team/pytorch_geometric/issues/5516), [#5602](https://github.com/pyg-team/pytorch_geometric/issues/5602))

test/utils/test_undirected.py

@@ -1,5 +1,7 @@
 import torch
+from torch import Tensor
 
+from torch_geometric.testing import is_full_test
 from torch_geometric.utils import is_undirected, to_undirected
 
 
@@ -18,10 +20,26 @@ def test_is_undirected():
 
     assert not is_undirected(torch.stack([row, col], dim=0))
 
+    if is_full_test():
+
+        @torch.jit.script
+        def jit(edge_index: Tensor) -> bool:
+            return is_undirected(edge_index)
+
+        assert not jit(torch.stack([row, col], dim=0))
+
 
 def test_to_undirected():
     row = torch.tensor([0, 1, 1])
     col = torch.tensor([1, 0, 2])
 
     edge_index = to_undirected(torch.stack([row, col], dim=0))
     assert edge_index.tolist() == [[0, 1, 1, 2], [1, 0, 2, 1]]
+
+    if is_full_test():
+
+        @torch.jit.script
+        def jit(edge_index: Tensor) -> Tensor:
+            return to_undirected(edge_index)
+
+        assert torch.equal(jit(torch.stack([row, col], dim=0)), edge_index)

torch_geometric/nn/dense/diff_pool.py

@@ -5,8 +5,11 @@
 
 
 def dense_diff_pool(
-        x: Tensor, adj: Tensor, s: Tensor, mask: Optional[Tensor] = None,
-        normalize: Optional[bool] = True
+    x: Tensor,
+    adj: Tensor,
+    s: Tensor,
+    mask: Optional[Tensor] = None,
+    normalize: bool = True,
 ) -> Tuple[Tensor, Tensor, Tensor, Tensor]:
     r"""The differentiable pooling operator from the `"Hierarchical Graph
     Representation Learning with Differentiable Pooling"
@@ -76,8 +79,6 @@ def dense_diff_pool(
     if normalize is True:
         link_loss = link_loss / adj.numel()
 
-    # Moved EPS from global to local variable for TorchScript support
-    EPS = 1e-15
-    ent_loss = (-s * torch.log(s + EPS)).sum(dim=-1).mean()
+    ent_loss = (-s * torch.log(s + 1e-15)).sum(dim=-1).mean()
 
     return out, out_adj, link_loss, ent_loss

torch_geometric/utils/sort_edge_index.py

@@ -1,13 +1,35 @@
 from typing import List, Optional, Tuple, Union
 
+import torch
 from torch import Tensor
 
 from .num_nodes import maybe_num_nodes
 
 
+@torch.jit._overload
+def sort_edge_index(edge_index, edge_attr=None, num_nodes=None,
+                    sort_by_row=True):
+    # type: (Tensor, Optional[bool], Optional[int], bool) -> Tensor  # noqa
+    pass
+
+
+@torch.jit._overload
+def sort_edge_index(edge_index, edge_attr=None, num_nodes=None,
+                    sort_by_row=True):
+    # type: (Tensor, Tensor, Optional[int], bool) -> Tuple[Tensor, Tensor]  # noqa
+    pass
+
+
+@torch.jit._overload
+def sort_edge_index(edge_index, edge_attr=None, num_nodes=None,
+                    sort_by_row=True):
+    # type: (Tensor, List[Tensor], Optional[int], bool) -> Tuple[Tensor, List[Tensor]]  # noqa
+    pass
+
+
 def sort_edge_index(
     edge_index: Tensor,
-    edge_attr: Optional[Union[Tensor, List[Tensor]]] = None,
+    edge_attr: Union[Optional[Tensor], List[Tensor]] = None,
     num_nodes: Optional[int] = None,
     sort_by_row: bool = True,
 ) -> Union[Tensor, Tuple[Tensor, Tensor], Tuple[Tensor, List[Tensor]]]:
@@ -53,9 +75,9 @@ def sort_edge_index(
 
     edge_index = edge_index[:, perm]
 
-    if edge_attr is None:
-        return edge_index
-    elif isinstance(edge_attr, Tensor):
+    if isinstance(edge_attr, Tensor):
         return edge_index, edge_attr[perm]
-    else:
+    elif isinstance(edge_attr, (list, tuple)):
         return edge_index, [e[perm] for e in edge_attr]
+    else:
+        return edge_index

torch_geometric/utils/undirected.py

@@ -8,9 +8,21 @@
 from .num_nodes import maybe_num_nodes
 
 
+@torch.jit._overload
+def is_undirected(edge_index, edge_attr=None, num_nodes=None):
+    # type: (Tensor, Optional[Tensor], Optional[int]) -> bool  # noqa
+    pass
+
+
+@torch.jit._overload
+def is_undirected(edge_index, edge_attr=None, num_nodes=None):
+    # type: (Tensor, List[Tensor], Optional[int]) -> bool  # noqa
+    pass
+
+
 def is_undirected(
     edge_index: Tensor,
-    edge_attr: Optional[Union[Tensor, List[Tensor]]] = None,
+    edge_attr: Union[Optional[Tensor], List[Tensor]] = None,
     num_nodes: Optional[int] = None,
 ) -> bool:
     r"""Returns :obj:`True` if the graph given by :attr:`edge_index` is
@@ -42,31 +54,56 @@ def is_undirected(
     """
     num_nodes = maybe_num_nodes(edge_index, num_nodes)
 
-    edge_attr = [] if edge_attr is None else edge_attr
-    edge_attr = [edge_attr] if isinstance(edge_attr, Tensor) else edge_attr
+    edge_attrs: List[Tensor] = []
+    if isinstance(edge_attr, Tensor):
+        edge_attrs.append(edge_attr)
+    elif isinstance(edge_attr, (list, tuple)):
+        edge_attrs = edge_attr
 
-    edge_index1, edge_attr1 = sort_edge_index(
+    edge_index1, edge_attrs1 = sort_edge_index(
         edge_index,
-        edge_attr,
+        edge_attrs,
         num_nodes=num_nodes,
         sort_by_row=True,
     )
-    edge_index2, edge_attr2 = sort_edge_index(
-        edge_index1,
-        edge_attr1,
+    edge_index2, edge_attrs2 = sort_edge_index(
+        edge_index,
+        edge_attrs,
         num_nodes=num_nodes,
         sort_by_row=False,
     )
 
-    return (bool(torch.all(edge_index1[0] == edge_index2[1]))
-            and bool(torch.all(edge_index1[1] == edge_index2[0])) and all([
-                torch.all(e == e_T) for e, e_T in zip(edge_attr1, edge_attr2)
-            ]))
+    if not torch.equal(edge_index1[0], edge_index2[1]):
+        return False
+    if not torch.equal(edge_index1[1], edge_index2[0]):
+        return False
+    for edge_attr1, edge_attr2 in zip(edge_attrs1, edge_attrs2):
+        if not torch.equal(edge_attr1, edge_attr2):
+            return False
+    return True
+
+
+@torch.jit._overload
+def to_undirected(edge_index, edge_attr=None, num_nodes=None, reduce="add"):
+    # type: (Tensor, Optional[bool], Optional[int], str) -> Tensor  # noqa
+    pass
+
+
+@torch.jit._overload
+def to_undirected(edge_index, edge_attr=None, num_nodes=None, reduce="add"):
+    # type: (Tensor, Tensor, Optional[int], str) -> Tuple[Tensor, Tensor]  # noqa
+    pass
+
+
+@torch.jit._overload
+def to_undirected(edge_index, edge_attr=None, num_nodes=None, reduce="add"):
+    # type: (Tensor, List[Tensor], Optional[int], str) -> Tuple[Tensor, List[Tensor]]  # noqa
+    pass
 
 
 def to_undirected(
     edge_index: Tensor,
-    edge_attr: Optional[Union[Tensor, List[Tensor]]] = None,
+    edge_attr: Union[Optional[Tensor], List[Tensor]] = None,
     num_nodes: Optional[int] = None,
     reduce: str = "add",
 ) -> Union[Tensor, Tuple[Tensor, Tensor], Tuple[Tensor, List[Tensor]]]:
@@ -116,13 +153,13 @@ def to_undirected(
         edge_attr = None
         num_nodes = edge_attr
 
-    row, col = edge_index
+    row, col = edge_index[0], edge_index[1]
     row, col = torch.cat([row, col], dim=0), torch.cat([col, row], dim=0)
     edge_index = torch.stack([row, col], dim=0)
 
-    if edge_attr is not None and isinstance(edge_attr, Tensor):
+    if isinstance(edge_attr, Tensor):
         edge_attr = torch.cat([edge_attr, edge_attr], dim=0)
-    elif edge_attr is not None:
+    elif isinstance(edge_attr, (list, tuple)):
         edge_attr = [torch.cat([e, e], dim=0) for e in edge_attr]
 
     return coalesce(edge_index, edge_attr, num_nodes, reduce)