pyg-nightly 2.7.0.dev20250606__py3-none-any.whl → 2.7.0.dev20250607__py3-none-any.whl

{pyg_nightly-2.7.0.dev20250606.dist-info → pyg_nightly-2.7.0.dev20250607.dist-info}/METADATA

@@ -1,6 +1,6 @@
 Metadata-Version: 2.4
 Name: pyg-nightly
-Version: 2.7.0.dev20250606
+Version: 2.7.0.dev20250607
 Summary: Graph Neural Network Library for PyTorch
 Keywords: deep-learning,pytorch,geometric-deep-learning,graph-neural-networks,graph-convolutional-networks
 Author-email: Matthias Fey <matthias@pyg.org>

{pyg_nightly-2.7.0.dev20250606.dist-info → pyg_nightly-2.7.0.dev20250607.dist-info}/RECORD

@@ -1,4 +1,4 @@
-torch_geometric/__init__.py,sha256=BD3Th7gs3RFBES0GFQ42zZ7rQwA2D8n5zYL1L0hvKFs,2255
+torch_geometric/__init__.py,sha256=vcnOn9baJjUaV0fXJtIVEa7ebjfVArxTYurNLSuDfo4,2255
 torch_geometric/_compile.py,sha256=f-WQeH4VLi5Hn9lrgztFUCSrN_FImjhQa6BxFzcYC38,1338
 torch_geometric/_onnx.py,sha256=V9ffrIKSqhDw6xUZ12lkuSfNs48cQp2EeJ6Z19GfnVw,349
 torch_geometric/backend.py,sha256=lVaf7aLoVaB3M-UcByUJ1G4T4FOK6LXAg0CF4W3E8jo,1575
@@ -250,7 +250,7 @@ torch_geometric/graphgym/models/transform.py,sha256=lbvGYQE0sRx-P5_eTgKbgx2PYWV1
 torch_geometric/graphgym/utils/LICENSE,sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU,0
 torch_geometric/graphgym/utils/__init__.py,sha256=an9dcDvVAgT3naLq5-Jv5gh2ZkuTlIvaullJIFMbprQ,641
 torch_geometric/graphgym/utils/agg_runs.py,sha256=TGuArA50WcCT8twMVTLyPDRvV3OX8lXMaOKVceGOkPM,9301
-torch_geometric/graphgym/utils/comp_budget.py,sha256=tU5QefRGl3Y9h6fTbnFeqNjJF_cHO_okhwd-bTjxIGY,3047
+torch_geometric/graphgym/utils/comp_budget.py,sha256=hZlCAU56eRa8n6dJ7-ypYtaPjGBwa6bMPHLewUPEKlg,3069
 torch_geometric/graphgym/utils/device.py,sha256=B5lgc3KizEHja3q3Fz22SOENAUXRE8ufCx3aNepBAGk,1342
 torch_geometric/graphgym/utils/epoch.py,sha256=cIlX0Oipx2s4Q8rPJgbLRFQbPqKKNeOynUtGyeyjoFI,690
 torch_geometric/graphgym/utils/io.py,sha256=gqcAXncTCcM9tJpai0LoCokHLoCftnpIgYTPBKARvFY,2049
@@ -350,7 +350,7 @@ torch_geometric/nn/conv/dir_gnn_conv.py,sha256=QWtmSDYKAHSlvRQF4XKhsIw7TFqUNTJS6
 torch_geometric/nn/conv/dna_conv.py,sha256=i4SiBRzZ9a_f1NF_43UCvxd881gfKX1rfxVRWqWWY-g,12242
 torch_geometric/nn/conv/edge_conv.py,sha256=HFcsyOYueRAkkoh6Ifvgj63XcXKkNE3lj4WmKvC9C54,5446
 torch_geometric/nn/conv/edge_updater.jinja,sha256=sCAQMr88Whl4qLqPJ2lGVnBFjllavbHx5N02In81mfk,2216
-torch_geometric/nn/conv/eg_conv.py,sha256=aOKw-ygu8WIhQywiS6tFeNrvPe1W67slhCHa93J3ChQ,10742
+torch_geometric/nn/conv/eg_conv.py,sha256=2MB3Q2qP16i4f0M6zbuzHLLo5z5T1rTzd6vexq-o1mA,10770
 torch_geometric/nn/conv/fa_conv.py,sha256=l7R0QbgG-GnET5wq7W45eaVL6VE0fh_U5VJJ1v-v5PY,9065
 torch_geometric/nn/conv/feast_conv.py,sha256=C5T2-t_3pDW07axRKWL-0WXvtPF6kY8RWBoeqlIKdaU,4430
 torch_geometric/nn/conv/film_conv.py,sha256=Bg9B35RiqK0cFKv6o2Tafm_o5m3NStTygwHmjw4DZjU,6314
@@ -444,7 +444,7 @@ torch_geometric/nn/models/g_retriever.py,sha256=tVibbqM_r-1LnA3R3oVyzp0bpuN3qPoY
 torch_geometric/nn/models/git_mol.py,sha256=Wc6Hx6RDDR7sDWRWHfA5eK9e9gFsrTZ9OLmpMfoj3pE,12676
 torch_geometric/nn/models/glem.py,sha256=1Tl9lb5i8-GwtYMiqFtRmgAC7esSr606ekd2RXXBX2Y,16449
 torch_geometric/nn/models/gnnff.py,sha256=15dkiLgy0LmH1hnUrpeoHioIp4BPTfjpVATpnGRt9E0,7860
-torch_geometric/nn/models/gpse.py,sha256=3tKzVPkvntAtj13qSPJO1rittr8X1Q_7OqVTOaSpp2s,41982
+torch_geometric/nn/models/gpse.py,sha256=jamaDD5chKka44c9O1-x6ytkgi53Og8YPZWV0Wjn5jQ,41999
 torch_geometric/nn/models/graph_mixer.py,sha256=mthMeCOikR8gseEsu4oJ3Cd9C35zHSv1p32ROwnG-6s,9246
 torch_geometric/nn/models/graph_unet.py,sha256=N8TSmJo8AlbZjjcame0xW_jZvMOirL5ahw6qv5Yjpbs,5586
 torch_geometric/nn/models/jumping_knowledge.py,sha256=9JR2EoViXKjcDSLb8tjJm-UHfv1mQCJvZAAEsYa0Ocw,5496
@@ -542,7 +542,7 @@ torch_geometric/transforms/face_to_edge.py,sha256=ohAWtpiCs_qHwrrYmz2eLvAcd_bhfP
 torch_geometric/transforms/feature_propagation.py,sha256=GPiKiGU7OuOpBBJeATlCtAtBUy_DSHUoBnJdDK8T81E,3056
 torch_geometric/transforms/fixed_points.py,sha256=sfcqHZSw542LIYmq1DrTJdyncDRa2Uxf5N50G5lYSfQ,2426
 torch_geometric/transforms/gcn_norm.py,sha256=INi8f8J3i2OXWgX5U4GNKROpcvJNW42qO39EdLPRPS8,1397
-torch_geometric/transforms/gdc.py,sha256=d2OGyNrwwOQM7U_C6vTmH6VXyQ1rh-Ig9jTMQN33s4w,20208
+torch_geometric/transforms/gdc.py,sha256=kivoZFHpTJ4Tf_w8fiolkSMP_tl31E-21NbuYRigVis,20245
 torch_geometric/transforms/generate_mesh_normals.py,sha256=eJsmdLPXID7M3xeyQsAjBVugPr4DeSTQ6isheAcoKQs,1028
 torch_geometric/transforms/grid_sampling.py,sha256=aM2NaogaG3XLiKcqZzsDXBnqlJM8tX02qDVaFwY5XmQ,2564
 torch_geometric/transforms/half_hop.py,sha256=xNnLO1J_b7AodwqkAxaZxDr9vScv92LTWLKdwqUQD8k,4102
@@ -555,7 +555,7 @@ torch_geometric/transforms/local_cartesian.py,sha256=oF18aDM4i38E8OSMJOgRrHFpalo
 torch_geometric/transforms/local_degree_profile.py,sha256=4haxPEyKKo4qK869jPW0bAwZNOFdlPzdUEjqY2ApKd0,1480
 torch_geometric/transforms/mask.py,sha256=acFjlAsaT-LyThyEM_S_8ghhqotNPjQrhkUAxXw5a9Q,4838
 torch_geometric/transforms/node_property_split.py,sha256=nwK8PT-xWBc4NDIc20ZAK1-S-2SHPvZ2LqIe6ISf-zc,6075
-torch_geometric/transforms/normalize_features.py,sha256=1TCoruyVNLbrD3xuZv4V98rwGPvp_C1xKTqCFnQS6R0,1028
+torch_geometric/transforms/normalize_features.py,sha256=RmljMqn7t9UC-n2CU9an7BnTlsgKWujpY5e9nz4mh9Q,1064
 torch_geometric/transforms/normalize_rotation.py,sha256=S_r1G5OtBlCjAmP8plM6m2qoM52J64tv7vGQPIvD8kY,1782
 torch_geometric/transforms/normalize_scale.py,sha256=Q_fKOdZzJ7bLlgraDeRuSAIw_BhsXNOrYqINqhvh6Cw,666
 torch_geometric/transforms/one_hot_degree.py,sha256=ITKs4QMaf6dx4e5GYup316kkYhCX0-U1XTZ9EAMec4U,1584
@@ -570,7 +570,7 @@ torch_geometric/transforms/random_node_split.py,sha256=1B9lEb_AKMpIWCe3l51FO8GKV
 torch_geometric/transforms/random_rotate.py,sha256=5DIHYmsu2FQuZnwsQMQYD1msMnJf_C1FWQHKSdkEsrA,1946
 torch_geometric/transforms/random_scale.py,sha256=Qc0ciXDKQ8CEqOnacePyT0WLtOO74L2ABsiGRWYAVmU,1261
 torch_geometric/transforms/random_shear.py,sha256=TXnxdrvLRNdsi9NIYev9941MvrW2SFdYs1FFfAjV26A,1365
-torch_geometric/transforms/remove_duplicated_edges.py,sha256=EMX6E1R_gXFoXwBqMqt6vA930mK0unqFu56-BQUf9aY,1929
+torch_geometric/transforms/remove_duplicated_edges.py,sha256=FpI6omjr_QWLFj7WCNMbhrJZXu0e0qp-dXH9e9xBNd8,1976
 torch_geometric/transforms/remove_isolated_nodes.py,sha256=Q89b73es1tPsAmTdS7tWTIM7JcPUpL37v3EZTAd25Fc,2449
 torch_geometric/transforms/remove_self_loops.py,sha256=JfoooSnTO2KPXXuC3KWGhLS0tqr4yiXOl3A0sVv2riM,1221
 torch_geometric/transforms/remove_training_classes.py,sha256=GMCZwI_LYo2ZF29DABZXeuM0Sn2i3twx_V3KBUGu2As,932
@@ -640,7 +640,7 @@ torch_geometric/utils/undirected.py,sha256=H_nfpI0_WluOG6VfjPyldvcjL4w5USAKWu2x5
 torch_geometric/visualization/__init__.py,sha256=b-HnVesXjyJ_L1N-DnjiRiRVf7lhwKaBQF_2i5YMVSU,208
 torch_geometric/visualization/graph.py,sha256=mfZHXYfiU-CWMtfawYc80IxVwVmtK9hbIkSKhM_j7oI,14311
 torch_geometric/visualization/influence.py,sha256=CWMvuNA_Nf1sfbJmQgn58yS4OFpeKXeZPe7kEuvkUBw,477
-pyg_nightly-2.7.0.dev20250606.dist-info/licenses/LICENSE,sha256=ic-27cMJc1kWoMEYncz3Ya3Ur2Bi3bNLWib2DT763-o,1067
-pyg_nightly-2.7.0.dev20250606.dist-info/WHEEL,sha256=G2gURzTEtmeR8nrdXUJfNiB3VYVxigPQ-bEQujpNiNs,82
-pyg_nightly-2.7.0.dev20250606.dist-info/METADATA,sha256=DZmmGP4X5ZCOarKh3B4kkaqENUf31OB0kSOV_zeizTI,62967
-pyg_nightly-2.7.0.dev20250606.dist-info/RECORD,,
+pyg_nightly-2.7.0.dev20250607.dist-info/licenses/LICENSE,sha256=ic-27cMJc1kWoMEYncz3Ya3Ur2Bi3bNLWib2DT763-o,1067
+pyg_nightly-2.7.0.dev20250607.dist-info/WHEEL,sha256=G2gURzTEtmeR8nrdXUJfNiB3VYVxigPQ-bEQujpNiNs,82
+pyg_nightly-2.7.0.dev20250607.dist-info/METADATA,sha256=EXeRSe9kFPGkT1eqa7TcyOPP1U78_Zu1hxrsgPLvkYo,62967
+pyg_nightly-2.7.0.dev20250607.dist-info/RECORD,,

torch_geometric/__init__.py

@@ -31,7 +31,7 @@ from .lazy_loader import LazyLoader
 contrib = LazyLoader('contrib', globals(), 'torch_geometric.contrib')
 graphgym = LazyLoader('graphgym', globals(), 'torch_geometric.graphgym')
 
-__version__ = '2.7.0.dev20250606'
+__version__ = '2.7.0.dev20250607'
 
 __all__ = [
     'Index',

torch_geometric/graphgym/utils/comp_budget.py

@@ -18,8 +18,9 @@ def get_stats():
     return params_count(model)
 
 
-def match_computation(stats_baseline, key=['gnn', 'dim_inner'], mode='sqrt'):
+def match_computation(stats_baseline, key=None, mode='sqrt'):
     """Match computation budget by modifying :obj:`cfg.gnn.dim_inner`."""
+    key = key or ['gnn', 'dim_inner']
     stats = get_stats()
     if stats != stats_baseline:
         # Phase 1: fast approximation

torch_geometric/nn/conv/eg_conv.py

@@ -81,7 +81,7 @@ class EGConv(MessagePassing):
         self,
         in_channels: int,
         out_channels: int,
-        aggregators: List[str] = ['symnorm'],
+        aggregators: Optional[List[str]] = None,
         num_heads: int = 8,
         num_bases: int = 4,
         cached: bool = False,
@@ -96,23 +96,23 @@ class EGConv(MessagePassing):
                              f"divisible by the number of heads "
                              f"(got {num_heads})")
 
-        for a in aggregators:
-            if a not in ['sum', 'mean', 'symnorm', 'min', 'max', 'var', 'std']:
-                raise ValueError(f"Unsupported aggregator: '{a}'")
-
         self.in_channels = in_channels
         self.out_channels = out_channels
         self.num_heads = num_heads
         self.num_bases = num_bases
         self.cached = cached
         self.add_self_loops = add_self_loops
-        self.aggregators = aggregators
+        self.aggregators = aggregators or ['symnorm']
+
+        for a in self.aggregators:
+            if a not in ['sum', 'mean', 'symnorm', 'min', 'max', 'var', 'std']:
+                raise ValueError(f"Unsupported aggregator: '{a}'")
 
         self.bases_lin = Linear(in_channels,
                                 (out_channels // num_heads) * num_bases,
                                 bias=False, weight_initializer='glorot')
         self.comb_lin = Linear(in_channels,
-                               num_heads * num_bases * len(aggregators))
+                               num_heads * num_bases * len(self.aggregators))
 
         if bias:
             self.bias = Parameter(torch.empty(out_channels))

torch_geometric/nn/models/gpse.py

@@ -716,11 +716,18 @@ class GPSENodeEncoder(torch.nn.Module):
 
 
 @torch.no_grad()
-def gpse_process(model: Module, data: Data, rand_type: str,
-                 use_vn: bool = True, bernoulli_thresh: float = 0.5,
-                 neighbor_loader: bool = False,
-                 num_neighbors: List[int] = [30, 20, 10], fillval: int = 5,
-                 layers_mp: int = None, **kwargs) -> torch.Tensor:
+def gpse_process(
+    model: Module,
+    data: Data,
+    rand_type: str,
+    use_vn: bool = True,
+    bernoulli_thresh: float = 0.5,
+    neighbor_loader: bool = False,
+    num_neighbors: Optional[List[int]] = None,
+    fillval: int = 5,
+    layers_mp: int = None,
+    **kwargs,
+) -> torch.Tensor:
     r"""Processes the data using the :class:`GPSE` model to generate and append
     GPSE encodings. Identical to :obj:`gpse_process_batch`, but operates on a
     single :class:`~torch_geometric.data.Dataset` object.
@@ -784,6 +791,8 @@ def gpse_process(model: Module, data: Data, rand_type: str,
         if layers_mp is None:
             raise ValueError('Please provide the number of message-passing '
                              'layers as "layers_mp".')
+
+        num_neighbors = num_neighbors or [30, 20, 10]
         diff = layers_mp - len(num_neighbors)
         if fillval > 0 and diff > 0:
             num_neighbors += [fillval] * diff
@@ -806,12 +815,18 @@ def gpse_process(model: Module, data: Data, rand_type: str,
 
 
 @torch.no_grad()
-def gpse_process_batch(model: GPSE, batch, rand_type: str, use_vn: bool = True,
-                       bernoulli_thresh: float = 0.5,
-                       neighbor_loader: bool = False,
-                       num_neighbors: List[int] = [30, 20, 10],
-                       fillval: int = 5, layers_mp: int = None,
-                       **kwargs) -> Tuple[torch.Tensor, torch.Tensor]:
+def gpse_process_batch(
+    model: GPSE,
+    batch,
+    rand_type: str,
+    use_vn: bool = True,
+    bernoulli_thresh: float = 0.5,
+    neighbor_loader: bool = False,
+    num_neighbors: Optional[List[int]] = None,
+    fillval: int = 5,
+    layers_mp: int = None,
+    **kwargs,
+) -> Tuple[torch.Tensor, torch.Tensor]:
     r"""Process a batch of data using the :class:`GPSE` model to generate and
     append :class:`GPSE` encodings. Identical to `gpse_process`, but operates
     on a batch of :class:`~torch_geometric.data.Data` objects.
@@ -881,6 +896,8 @@ def gpse_process_batch(model: GPSE, batch, rand_type: str, use_vn: bool = True,
         if layers_mp is None:
             raise ValueError('Please provide the number of message-passing '
                              'layers as "layers_mp".')
+
+        num_neighbors = num_neighbors or [30, 20, 10]
         diff = layers_mp - len(num_neighbors)
         if fillval > 0 and diff > 0:
             num_neighbors += [fillval] * diff

torch_geometric/transforms/gdc.py

@@ -1,4 +1,4 @@
-from typing import Any, Dict, Tuple
+from typing import Any, Dict, Optional, Tuple
 
 import numpy as np
 import torch
@@ -78,18 +78,17 @@ class GDC(BaseTransform):
         self_loop_weight: float = 1.,
         normalization_in: str = 'sym',
         normalization_out: str = 'col',
-        diffusion_kwargs: Dict[str, Any] = dict(method='ppr', alpha=0.15),
-        sparsification_kwargs: Dict[str, Any] = dict(
-            method='threshold',
-            avg_degree=64,
-        ),
+        diffusion_kwargs: Optional[Dict[str, Any]] = None,
+        sparsification_kwargs: Optional[Dict[str, Any]] = None,
         exact: bool = True,
     ) -> None:
         self.self_loop_weight = self_loop_weight
         self.normalization_in = normalization_in
         self.normalization_out = normalization_out
-        self.diffusion_kwargs = diffusion_kwargs
-        self.sparsification_kwargs = sparsification_kwargs
+        self.diffusion_kwargs = diffusion_kwargs or dict(
+            method='ppr', alpha=0.15)
+        self.sparsification_kwargs = sparsification_kwargs or dict(
+            method='threshold', avg_degree=64)
         self.exact = exact
 
         if self_loop_weight:

torch_geometric/transforms/normalize_features.py

@@ -1,4 +1,4 @@
-from typing import List, Union
+from typing import List, Optional, Union
 
 from torch_geometric.data import Data, HeteroData
 from torch_geometric.data.datapipes import functional_transform
@@ -14,8 +14,8 @@ class NormalizeFeatures(BaseTransform):
         attrs (List[str]): The names of attributes to normalize.
             (default: :obj:`["x"]`)
     """
-    def __init__(self, attrs: List[str] = ["x"]):
-        self.attrs = attrs
+    def __init__(self, attrs: Optional[List[str]] = None) -> None:
+        self.attrs = attrs or ["x"]
 
     def forward(
         self,

torch_geometric/transforms/remove_duplicated_edges.py

@@ -1,4 +1,4 @@
-from typing import List, Union
+from typing import List, Optional, Union
 
 from torch_geometric.data import Data, HeteroData
 from torch_geometric.data.datapipes import functional_transform
@@ -22,9 +22,11 @@ class RemoveDuplicatedEdges(BaseTransform):
     """
     def __init__(
         self,
-        key: Union[str, List[str]] = ['edge_attr', 'edge_weight'],
+        key: Optional[Union[str, List[str]]] = None,
         reduce: str = "add",
     ) -> None:
+        key = key or ['edge_attr', 'edge_weight']
+
         if isinstance(key, str):
             key = [key]