pyg-nightly 2.7.0.dev20250519__py3-none-any.whl → 2.7.0.dev20250521__py3-none-any.whl

{pyg_nightly-2.7.0.dev20250519.dist-info → pyg_nightly-2.7.0.dev20250521.dist-info}/METADATA

@@ -1,13 +1,13 @@
 Metadata-Version: 2.4
 Name: pyg-nightly
-Version: 2.7.0.dev20250519
+Version: 2.7.0.dev20250521
 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>
 Requires-Python: >=3.9
 Description-Content-Type: text/markdown
+License-Expression: MIT
 Classifier: Development Status :: 5 - Production/Stable
-Classifier: License :: OSI Approved :: MIT License
 Classifier: Programming Language :: Python
 Classifier: Programming Language :: Python :: 3.9
 Classifier: Programming Language :: Python :: 3.10

{pyg_nightly-2.7.0.dev20250519.dist-info → pyg_nightly-2.7.0.dev20250521.dist-info}/RECORD

@@ -1,4 +1,4 @@
-torch_geometric/__init__.py,sha256=3MHwFxhxZiB-kZdMgs8c_3YJbedWx_rRNAEJe2DVcM4,2255
+torch_geometric/__init__.py,sha256=ABRQ7cUyuHSYpjKfHb96NZXDfgWhxwlkTdCh2eOTTA8,2255
 torch_geometric/_compile.py,sha256=f-WQeH4VLi5Hn9lrgztFUCSrN_FImjhQa6BxFzcYC38,1338
 torch_geometric/_onnx.py,sha256=V9ffrIKSqhDw6xUZ12lkuSfNs48cQp2EeJ6Z19GfnVw,349
 torch_geometric/backend.py,sha256=lVaf7aLoVaB3M-UcByUJ1G4T4FOK6LXAg0CF4W3E8jo,1575
@@ -20,7 +20,7 @@ torch_geometric/resolver.py,sha256=fn-_6mCpI2xv7eDZnIFcYrHOn0IrwbkWFLDb9laQrWI,1
 torch_geometric/seed.py,sha256=MJLbVwpb9i8mK3oi32sS__Cq-dRq_afTeoOL_HoA9ko,372
 torch_geometric/template.py,sha256=rqjDWgcSAgTCiV4bkOjWRPaO4PpUdC_RXigzxxBqAu8,1060
 torch_geometric/typing.py,sha256=Ryx6oGoOsEh8rJ3O0O6j8O18ZPHkrIv-7dr-suQZa6Q,15486
-torch_geometric/warnings.py,sha256=t114CbkrmiqkXaavx5g7OO52dLdktf-U__B5QqYIQvI,413
+torch_geometric/warnings.py,sha256=SB9dWGovX_KKcxqsOrdTDvSb_j0NoB5vPGnK2vg0jVw,727
 torch_geometric/contrib/__init__.py,sha256=0pWkmXfZtbdr-AKwlii5LTFggTEH-MCrSKpZxrtPlVs,352
 torch_geometric/contrib/datasets/__init__.py,sha256=lrGnWsEiJf5zsBRmshGZZFN_uYR2ezDjbj9n9nCpvtk,23
 torch_geometric/contrib/explain/__init__.py,sha256=Rs1y07BI6K8J2rmEw6eyrW6QW8y3faaSb3vzWMCoUac,396
@@ -114,7 +114,7 @@ torch_geometric/datasets/lastfm_asia.py,sha256=y9F34KoWsYKVIoKNCb2_ZulBseZaBAwfD
 torch_geometric/datasets/linkx_dataset.py,sha256=_DsF5d2-o79-WibEKojIJKCpCF3VVxSDbHLWrnCirTE,6907
 torch_geometric/datasets/lrgb.py,sha256=lOlzYCn9XbwQb3HK_wdufqjqK_aZbnoUqZu0NXZ6Oyw,11657
 torch_geometric/datasets/malnet_tiny.py,sha256=E_ymC7_XS8rgZelcdevZyCDVjX5Ov21G6vwrG0JgAP0,5271
-torch_geometric/datasets/md17.py,sha256=BD6LU2xm6_ycXVk6r4O0poNt5Sr_PJ2P1QjNqIOLDHY,16734
+torch_geometric/datasets/md17.py,sha256=Wv-Q75uUDrFjRur5nOvg2TSw68UxkdYDJvkf3YA-T70,16735
 torch_geometric/datasets/mixhop_synthetic_dataset.py,sha256=4NNvTHUvvV6pcqQCyVDS5XhppXUeF2H9GTfFoc49eyU,3951
 torch_geometric/datasets/mnist_superpixels.py,sha256=o2ArbZ0_OE0u8VCaHmWwvngESlOFr9oM9dSEP_tjAS4,3340
 torch_geometric/datasets/modelnet.py,sha256=-qmLjlQiKVWmtHefAIIE97dQxEcaBfetMJnvgYZuwkg,5347
@@ -201,7 +201,7 @@ torch_geometric/explain/algorithm/base.py,sha256=lXynh9wMAKWN9tuCkcmsmNPwSUExTtg
 torch_geometric/explain/algorithm/captum.py,sha256=k6hNgC5Kn9lVirOYVJzej8-hRuf5C2mPFUXFLd2wWsY,12857
 torch_geometric/explain/algorithm/captum_explainer.py,sha256=oz-c40hvdzii4_chEQPHzQo_dFjHr9HLuJhDLsqRIVU,7346
 torch_geometric/explain/algorithm/dummy_explainer.py,sha256=jvcVQmfngmUWgoKa5p7CXzju2HM5D5DfieJhZW3gbLc,2872
-torch_geometric/explain/algorithm/gnn_explainer.py,sha256=iu45fGWdd4c6wNczWEAT-29HCAz7ncuoaS6cpx-xDJM,24660
+torch_geometric/explain/algorithm/gnn_explainer.py,sha256=CmZZsJEK3PA14NND5CLHmyv37O8VrqHR8Q5faajShVY,24724
 torch_geometric/explain/algorithm/graphmask_explainer.py,sha256=6DisYN-dz2vhr1AlTPBIq6xSmpDdaNu306JKeLObNVI,21377
 torch_geometric/explain/algorithm/pg_explainer.py,sha256=LMlNcqSqtEP-IzYA7Xix6FoAogcrLUaEUAxDVyz2eyc,20162
 torch_geometric/explain/algorithm/utils.py,sha256=eh0ARPG41V7piVw5jdMYpV0p7WjTlpehnY-bWqPV_zg,2564
@@ -335,7 +335,7 @@ torch_geometric/nn/aggr/variance_preserving.py,sha256=fu-U_aGYpVLpgSFvVg0ONMe6nq
 torch_geometric/nn/attention/__init__.py,sha256=wLKTmlfP7qL9sZHy4cmDFHEtdwa-MEKE1dT51L1_w10,192
 torch_geometric/nn/attention/performer.py,sha256=2PCDn4_-oNTao2-DkXIaoi18anP01OxRELF2pvp-jk8,7357
 torch_geometric/nn/attention/qformer.py,sha256=7J-pWm_vpumK38IC-iCBz4oqL-BEIofEIxJ0wfjWq9A,2338
-torch_geometric/nn/attention/sgformer.py,sha256=U4R_tGF1IWyKDlV0t4jFNatW2-payc-hPGM3sFdiYBE,3812
+torch_geometric/nn/attention/sgformer.py,sha256=OBC5HQxbY289bPDtwN8UbPH46To2GRTeVN-najogD-o,3747
 torch_geometric/nn/conv/__init__.py,sha256=37zTdt0gfSAUPMtwXjZg5mWx_itojJVFNODYR1h1ch0,3515
 torch_geometric/nn/conv/agnn_conv.py,sha256=5nEPLx_BBHcDaO6HWzLuHfXc0Yd_reKynAOH0Iq09lU,3077
 torch_geometric/nn/conv/antisymmetric_conv.py,sha256=dhA6sCETy1jlXReYJZBSyToOcL_mZ1wL10fMIb8Ppuw,4387
@@ -621,7 +621,7 @@ torch_geometric/utils/hetero.py,sha256=ok4uAAOyMiaeEPmvyS4DNoDwdKnLS2gmgs5WVVklx
 torch_geometric/utils/isolated.py,sha256=nUxCfMY3q9IIFjelr4eyAJH4sYG9W3lGdpWidnp3dm4,3588
 torch_geometric/utils/laplacian.py,sha256=ludDil4yS1A27PEuYOjZtCtE3o-t0lnucJKfiqENhvM,3695
 torch_geometric/utils/loop.py,sha256=MUWUS7a5GxuxLKlCtRq95U1hc3MndybAhqKD5IAe2RY,23051
-torch_geometric/utils/map.py,sha256=Bioo-NrnH2LBcPsnBJEQjLl0hGnoJkIYgfoLd0ffP5Y,5926
+torch_geometric/utils/map.py,sha256=urEpmpf7SB4875nL7zR1Nc89wYMIcvzgBVfDgi3AHFc,6018
 torch_geometric/utils/mask.py,sha256=WOsfZLOMf1bunlwI6RH3evptbu0eOwNg19t6VOYboIo,2340
 torch_geometric/utils/mesh_laplacian.py,sha256=dqUEp7sOCBhWZPnUMAqa93OAj30dTDshcUpstt2iZDc,4387
 torch_geometric/utils/mixin.py,sha256=h4r5acaeEZ2azvwBcUbybevuoyhLE8qLBiERU7V9w20,699
@@ -637,7 +637,7 @@ 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.dev20250519.dist-info/licenses/LICENSE,sha256=ic-27cMJc1kWoMEYncz3Ya3Ur2Bi3bNLWib2DT763-o,1067
-pyg_nightly-2.7.0.dev20250519.dist-info/WHEEL,sha256=G2gURzTEtmeR8nrdXUJfNiB3VYVxigPQ-bEQujpNiNs,82
-pyg_nightly-2.7.0.dev20250519.dist-info/METADATA,sha256=IPUvzmMhGcvarsGCAU0k2E1051rjjURBJQkX1QpavlQ,62979
-pyg_nightly-2.7.0.dev20250519.dist-info/RECORD,,
+pyg_nightly-2.7.0.dev20250521.dist-info/licenses/LICENSE,sha256=ic-27cMJc1kWoMEYncz3Ya3Ur2Bi3bNLWib2DT763-o,1067
+pyg_nightly-2.7.0.dev20250521.dist-info/WHEEL,sha256=G2gURzTEtmeR8nrdXUJfNiB3VYVxigPQ-bEQujpNiNs,82
+pyg_nightly-2.7.0.dev20250521.dist-info/METADATA,sha256=TBjJORONYN_qTyeZPxfKdnHp84pDrSXqyQcWqPEi03M,62952
+pyg_nightly-2.7.0.dev20250521.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.dev20250519'
+__version__ = '2.7.0.dev20250521'
 
 __all__ = [
     'Index',

torch_geometric/datasets/md17.py

@@ -57,7 +57,7 @@ class MD17(InMemoryDataset):
     +--------------------+--------------------+-------------------------------+-----------+
     | Uracil             | DFT                | :obj:`uracil`                 | 133,770   |
     +--------------------+--------------------+-------------------------------+-----------+
-    | Naphthalene        | DFT                | :obj:`napthalene`             | 326,250   |
+    | Naphthalene        | DFT                | :obj:`naphthalene`            | 326,250   |
     +--------------------+--------------------+-------------------------------+-----------+
     | Aspirin            | DFT                | :obj:`aspirin`                | 211,762   |
     +--------------------+--------------------+-------------------------------+-----------+
@@ -77,7 +77,7 @@ class MD17(InMemoryDataset):
     +--------------------+--------------------+-------------------------------+-----------+
     | Uracil (R)         | DFT (PBE/def2-SVP) | :obj:`revised uracil`         | 100,000   |
     +--------------------+--------------------+-------------------------------+-----------+
-    | Naphthalene (R)    | DFT (PBE/def2-SVP) | :obj:`revised napthalene`     | 100,000   |
+    | Naphthalene (R)    | DFT (PBE/def2-SVP) | :obj:`revised naphthalene`    | 100,000   |
     +--------------------+--------------------+-------------------------------+-----------+
     | Aspirin (R)        | DFT (PBE/def2-SVP) | :obj:`revised aspirin`        | 100,000   |
     +--------------------+--------------------+-------------------------------+-----------+
@@ -309,7 +309,7 @@ class MD17(InMemoryDataset):
     file_names = {
         'benzene': 'md17_benzene2017.npz',
         'uracil': 'md17_uracil.npz',
-        'naphtalene': 'md17_naphthalene.npz',
+        'naphthalene': 'md17_naphthalene.npz',
         'aspirin': 'md17_aspirin.npz',
         'salicylic acid': 'md17_salicylic.npz',
         'malonaldehyde': 'md17_malonaldehyde.npz',

torch_geometric/explain/algorithm/gnn_explainer.py

@@ -61,7 +61,7 @@ class GNNExplainer(ExplainerAlgorithm):
             :attr:`~torch_geometric.explain.algorithm.GNNExplainer.coeffs`.
     """
 
-    coeffs = {
+    default_coeffs = {
         'edge_size': 0.005,
         'edge_reduction': 'sum',
         'node_feat_size': 1.0,
@@ -75,6 +75,7 @@ class GNNExplainer(ExplainerAlgorithm):
         super().__init__()
         self.epochs = epochs
         self.lr = lr
+        self.coeffs = dict(self.default_coeffs)
         self.coeffs.update(kwargs)
 
         self.node_mask = self.hard_node_mask = None
@@ -559,7 +560,7 @@ class GNNExplainer(ExplainerAlgorithm):
 class GNNExplainer_:
     r"""Deprecated version for :class:`GNNExplainer`."""
 
-    coeffs = GNNExplainer.coeffs
+    coeffs = GNNExplainer.default_coeffs
 
     conversion_node_mask_type = {
         'feature': 'common_attributes',

torch_geometric/nn/attention/sgformer.py

@@ -28,7 +28,6 @@ class SGFormerAttention(torch.nn.Module):
     ) -> None:
         super().__init__()
         assert channels % heads == 0
-        assert heads == 1, 'The number of heads are fixed as 1.'
         if head_channels is None:
             head_channels = channels // heads
 

torch_geometric/utils/map.py

@@ -1,4 +1,3 @@
-import warnings
 from typing import Optional, Tuple, Union
 
 import numpy as np
@@ -6,6 +5,10 @@ import torch
 from torch import Tensor
 from torch.utils.dlpack import from_dlpack
 
+from torch_geometric.warnings import WarningCache
+
+_warning_cache = WarningCache()
+
 
 def map_index(
     src: Tensor,
@@ -93,10 +96,10 @@ def map_index(
             WITH_CUDF = True
         except ImportError:
             import pandas as pd
-            warnings.warn("Using CPU-based processing within 'map_index' "
-                          "which may cause slowdowns and device "
-                          "synchronization. Consider installing 'cudf' to "
-                          "accelerate computation")
+            _warning_cache.warn("Using CPU-based processing within "
+                                "'map_index' which may cause slowdowns and "
+                                "device synchronization. Consider installing "
+                                "'cudf' to accelerate computation")
     else:
         import pandas as pd
 

torch_geometric/warnings.py

@@ -4,11 +4,11 @@ from typing import Literal
 import torch_geometric
 
 
-def warn(message: str) -> None:
+def warn(message: str, stacklevel: int = 5) -> None:
     if torch_geometric.is_compiling():
         return
 
-    warnings.warn(message)
+    warnings.warn(message, stacklevel=stacklevel)
 
 
 def filterwarnings(
@@ -19,3 +19,12 @@ def filterwarnings(
         return
 
     warnings.filterwarnings(action, message)
+
+
+class WarningCache(set):
+    """Cache for warnings."""
+    def warn(self, message: str, stacklevel: int = 5) -> None:
+        """Trigger warning message."""
+        if message not in self:
+            self.add(message)
+            warn(message, stacklevel=stacklevel)