pyg-nightly 2.7.0.dev20250407__tar.gz → 2.7.0.dev20250408__tar.gz

{pyg_nightly-2.7.0.dev20250407 → pyg_nightly-2.7.0.dev20250408}/PKG-INFO

@@ -1,6 +1,6 @@
 Metadata-Version: 2.4
 Name: pyg-nightly
-Version: 2.7.0.dev20250407
+Version: 2.7.0.dev20250408
 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>
@@ -413,18 +413,6 @@ These approaches have been implemented in PyG, and can benefit from the above GN
 
 PyG is available for Python 3.9 to Python 3.12.
 
-### Anaconda
-
-You can now install PyG via [Anaconda](https://anaconda.org/pyg/pyg) for all major OS/PyTorch/CUDA combinations 🤗
-If you have not yet installed PyTorch, install it via `conda` as described in the [official PyTorch documentation](https://pytorch.org/get-started/locally/).
-Given that you have PyTorch installed (`>=1.8.0`), simply run
-
-```
-conda install pyg -c pyg
-```
-
-### PyPi
-
 From **PyG 2.3** onwards, you can install and use PyG **without any external library** required except for PyTorch.
 For this, simply run
 
@@ -448,28 +436,28 @@ We recommend to start with a minimal installation, and install additional depend
 
 For ease of installation of these extensions, we provide `pip` wheels for all major OS/PyTorch/CUDA combinations, see [here](https://data.pyg.org/whl).
 
-#### PyTorch 2.5
+#### PyTorch 2.6
 
-To install the binaries for PyTorch 2.5.0, simply run
+To install the binaries for PyTorch 2.6.0, simply run
 
 ```
-pip install pyg_lib torch_scatter torch_sparse torch_cluster torch_spline_conv -f https://data.pyg.org/whl/torch-2.5.0+${CUDA}.html
+pip install pyg_lib torch_scatter torch_sparse torch_cluster torch_spline_conv -f https://data.pyg.org/whl/torch-2.6.0+${CUDA}.html
 ```
 
-where `${CUDA}` should be replaced by either `cpu`, `cu118`, `cu121`, or `cu124` depending on your PyTorch installation.
+where `${CUDA}` should be replaced by either `cpu`, `cu118`, `cu124`, or `cu126` depending on your PyTorch installation.
 
-|             | `cpu` | `cu118` | `cu121` | `cu124` |
+|             | `cpu` | `cu118` | `cu124` | `cu126` |
 | ----------- | ----- | ------- | ------- | ------- |
 | **Linux**   | ✅    | ✅      | ✅      | ✅      |
 | **Windows** | ✅    | ✅      | ✅      | ✅      |
 | **macOS**   | ✅    |         |         |         |
 
-#### PyTorch 2.4
+#### PyTorch 2.5
 
-To install the binaries for PyTorch 2.4.0, simply run
+To install the binaries for PyTorch 2.5.0/2.5.1, simply run
 
 ```
-pip install pyg_lib torch_scatter torch_sparse torch_cluster torch_spline_conv -f https://data.pyg.org/whl/torch-2.4.0+${CUDA}.html
+pip install pyg_lib torch_scatter torch_sparse torch_cluster torch_spline_conv -f https://data.pyg.org/whl/torch-2.5.0+${CUDA}.html
 ```
 
 where `${CUDA}` should be replaced by either `cpu`, `cu118`, `cu121`, or `cu124` depending on your PyTorch installation.
@@ -480,7 +468,7 @@ where `${CUDA}` should be replaced by either `cpu`, `cu118`, `cu121`, or `cu124`
 | **Windows** | ✅    | ✅      | ✅      | ✅      |
 | **macOS**   | ✅    |         |         |         |
 
-**Note:** Binaries of older versions are also provided for PyTorch 1.4.0, PyTorch 1.5.0, PyTorch 1.6.0, PyTorch 1.7.0/1.7.1, PyTorch 1.8.0/1.8.1, PyTorch 1.9.0, PyTorch 1.10.0/1.10.1/1.10.2, PyTorch 1.11.0, PyTorch 1.12.0/1.12.1, PyTorch 1.13.0/1.13.1, PyTorch 2.0.0/2.0.1, PyTorch 2.1.0/2.1.1/2.1.2, PyTorch 2.2.0/2.2.1/2.2.2, and PyTorch 2.3.0/2.3.1 (following the same procedure).
+**Note:** Binaries of older versions are also provided for PyTorch 1.4.0, PyTorch 1.5.0, PyTorch 1.6.0, PyTorch 1.7.0/1.7.1, PyTorch 1.8.0/1.8.1, PyTorch 1.9.0, PyTorch 1.10.0/1.10.1/1.10.2, PyTorch 1.11.0, PyTorch 1.12.0/1.12.1, PyTorch 1.13.0/1.13.1, PyTorch 2.0.0/2.0.1, PyTorch 2.1.0/2.1.1/2.1.2, PyTorch 2.2.0/2.2.1/2.2.2, PyTorch 2.3.0/2.3.1, and PyTorch 2.4.0/2.4.1 (following the same procedure).
 **For older versions, you might need to explicitly specify the latest supported version number** or install via `pip install --no-index` in order to prevent a manual installation from source.
 You can look up the latest supported version number [here](https://data.pyg.org/whl).
 

{pyg_nightly-2.7.0.dev20250407 → pyg_nightly-2.7.0.dev20250408}/README.md

@@ -336,18 +336,6 @@ These approaches have been implemented in PyG, and can benefit from the above GN
 
 PyG is available for Python 3.9 to Python 3.12.
 
-### Anaconda
-
-You can now install PyG via [Anaconda](https://anaconda.org/pyg/pyg) for all major OS/PyTorch/CUDA combinations 🤗
-If you have not yet installed PyTorch, install it via `conda` as described in the [official PyTorch documentation](https://pytorch.org/get-started/locally/).
-Given that you have PyTorch installed (`>=1.8.0`), simply run
-
-```
-conda install pyg -c pyg
-```
-
-### PyPi
-
 From **PyG 2.3** onwards, you can install and use PyG **without any external library** required except for PyTorch.
 For this, simply run
 
@@ -371,28 +359,28 @@ We recommend to start with a minimal installation, and install additional depend
 
 For ease of installation of these extensions, we provide `pip` wheels for all major OS/PyTorch/CUDA combinations, see [here](https://data.pyg.org/whl).
 
-#### PyTorch 2.5
+#### PyTorch 2.6
 
-To install the binaries for PyTorch 2.5.0, simply run
+To install the binaries for PyTorch 2.6.0, simply run
 
 ```
-pip install pyg_lib torch_scatter torch_sparse torch_cluster torch_spline_conv -f https://data.pyg.org/whl/torch-2.5.0+${CUDA}.html
+pip install pyg_lib torch_scatter torch_sparse torch_cluster torch_spline_conv -f https://data.pyg.org/whl/torch-2.6.0+${CUDA}.html
 ```
 
-where `${CUDA}` should be replaced by either `cpu`, `cu118`, `cu121`, or `cu124` depending on your PyTorch installation.
+where `${CUDA}` should be replaced by either `cpu`, `cu118`, `cu124`, or `cu126` depending on your PyTorch installation.
 
-|             | `cpu` | `cu118` | `cu121` | `cu124` |
+|             | `cpu` | `cu118` | `cu124` | `cu126` |
 | ----------- | ----- | ------- | ------- | ------- |
 | **Linux**   | ✅    | ✅      | ✅      | ✅      |
 | **Windows** | ✅    | ✅      | ✅      | ✅      |
 | **macOS**   | ✅    |         |         |         |
 
-#### PyTorch 2.4
+#### PyTorch 2.5
 
-To install the binaries for PyTorch 2.4.0, simply run
+To install the binaries for PyTorch 2.5.0/2.5.1, simply run
 
 ```
-pip install pyg_lib torch_scatter torch_sparse torch_cluster torch_spline_conv -f https://data.pyg.org/whl/torch-2.4.0+${CUDA}.html
+pip install pyg_lib torch_scatter torch_sparse torch_cluster torch_spline_conv -f https://data.pyg.org/whl/torch-2.5.0+${CUDA}.html
 ```
 
 where `${CUDA}` should be replaced by either `cpu`, `cu118`, `cu121`, or `cu124` depending on your PyTorch installation.
@@ -403,7 +391,7 @@ where `${CUDA}` should be replaced by either `cpu`, `cu118`, `cu121`, or `cu124`
 | **Windows** | ✅    | ✅      | ✅      | ✅      |
 | **macOS**   | ✅    |         |         |         |
 
-**Note:** Binaries of older versions are also provided for PyTorch 1.4.0, PyTorch 1.5.0, PyTorch 1.6.0, PyTorch 1.7.0/1.7.1, PyTorch 1.8.0/1.8.1, PyTorch 1.9.0, PyTorch 1.10.0/1.10.1/1.10.2, PyTorch 1.11.0, PyTorch 1.12.0/1.12.1, PyTorch 1.13.0/1.13.1, PyTorch 2.0.0/2.0.1, PyTorch 2.1.0/2.1.1/2.1.2, PyTorch 2.2.0/2.2.1/2.2.2, and PyTorch 2.3.0/2.3.1 (following the same procedure).
+**Note:** Binaries of older versions are also provided for PyTorch 1.4.0, PyTorch 1.5.0, PyTorch 1.6.0, PyTorch 1.7.0/1.7.1, PyTorch 1.8.0/1.8.1, PyTorch 1.9.0, PyTorch 1.10.0/1.10.1/1.10.2, PyTorch 1.11.0, PyTorch 1.12.0/1.12.1, PyTorch 1.13.0/1.13.1, PyTorch 2.0.0/2.0.1, PyTorch 2.1.0/2.1.1/2.1.2, PyTorch 2.2.0/2.2.1/2.2.2, PyTorch 2.3.0/2.3.1, and PyTorch 2.4.0/2.4.1 (following the same procedure).
 **For older versions, you might need to explicitly specify the latest supported version number** or install via `pip install --no-index` in order to prevent a manual installation from source.
 You can look up the latest supported version number [here](https://data.pyg.org/whl).
 

{pyg_nightly-2.7.0.dev20250407 → pyg_nightly-2.7.0.dev20250408}/pyproject.toml

@@ -4,7 +4,7 @@ build-backend="flit_core.buildapi"
 
 [project]
 name="pyg-nightly"
-version="2.7.0.dev20250407"
+version="2.7.0.dev20250408"
 authors=[
     {name="Matthias Fey", email="matthias@pyg.org"},
 ]

{pyg_nightly-2.7.0.dev20250407 → pyg_nightly-2.7.0.dev20250408}/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.dev20250407'
+__version__ = '2.7.0.dev20250408'
 
 __all__ = [
     'Index',

{pyg_nightly-2.7.0.dev20250407 → pyg_nightly-2.7.0.dev20250408}/torch_geometric/distributed/rpc.py

@@ -144,7 +144,7 @@ _rpc_call_pool: Dict[int, RPCCallBase] = {}
 @rpc_require_initialized
 def rpc_register(call: RPCCallBase) -> int:
     r"""Registers a call for RPC requests."""
-    global _rpc_call_id, _rpc_call_pool
+    global _rpc_call_id
 
     with _rpc_call_lock:
         call_id = _rpc_call_id

{pyg_nightly-2.7.0.dev20250407 → pyg_nightly-2.7.0.dev20250408}/torch_geometric/metrics/link_pred.py

@@ -670,6 +670,9 @@ class LinkPredDiversity(_LinkPredMetric):
     def __init__(self, k: int, category: Tensor) -> None:
         super().__init__(k)
 
+        self.accum: Tensor
+        self.total: Tensor
+
         if WITH_TORCHMETRICS:
             self.add_state('accum', torch.tensor(0.), dist_reduce_fx='sum')
             self.add_state('total', torch.tensor(0), dist_reduce_fx='sum')
@@ -736,11 +739,14 @@ class LinkPredPersonalization(_LinkPredMetric):
         self.max_src_nodes = max_src_nodes
         self.batch_size = batch_size
 
+        self.preds: List[Tensor]
+        self.total: Tensor
+
         if WITH_TORCHMETRICS:
             self.add_state('preds', default=[], dist_reduce_fx='cat')
             self.add_state('total', torch.tensor(0), dist_reduce_fx='sum')
         else:
-            self.preds: List[Tensor] = []
+            self.preds = []
             self.register_buffer('total', torch.tensor(0), persistent=False)
 
     def update(
@@ -826,6 +832,9 @@ class LinkPredAveragePopularity(_LinkPredMetric):
     def __init__(self, k: int, popularity: Tensor) -> None:
         super().__init__(k)
 
+        self.accum: Tensor
+        self.total: Tensor
+
         if WITH_TORCHMETRICS:
             self.add_state('accum', torch.tensor(0.), dist_reduce_fx='sum')
             self.add_state('total', torch.tensor(0), dist_reduce_fx='sum')

{pyg_nightly-2.7.0.dev20250407 → pyg_nightly-2.7.0.dev20250408}/torch_geometric/nn/models/gpse.py

@@ -379,7 +379,7 @@ class GPSE(torch.nn.Module):
 
     .. code-block:: python
 
-        from torch_geometric.nn import GPSE, GPSENodeEncoder,
+        from torch_geometric.nn import GPSE, GPSENodeEncoder
         from torch_geometric.transforms import AddGPSE
         from torch_geometric.nn.models.gpse import precompute_GPSE
 
@@ -417,13 +417,11 @@ class GPSE(torch.nn.Module):
 
         encoder = GPSENodeEncoder(dim_emb=128, dim_pe_in=32, dim_pe_out=64,
                                   expand_x=False)
-        gnn = GNN(dim_in=128, dim_out=128, num_layers=4)
+        gnn = GNN(...)
 
         for batch in loader:
-            batch = encoder(batch)
-            batch = gnn(batch)
-            # Do something with the batch, which now includes 128-dimensional
-            # node representations
+            x = encoder(batch.x, batch.pestat_GPSE)
+            out = gnn(x, batch.edge_index)
 
 
     Args:
@@ -571,8 +569,7 @@ class GPSE(torch.nn.Module):
         self.reset_parameters()
 
     def reset_parameters(self):
-        from torch_geometric.graphgym.init import init_weights
-        self.apply(init_weights)
+        pass
 
     @classmethod
     def from_pretrained(cls, name: str, root: str = 'GPSE_pretrained'):
@@ -608,6 +605,7 @@ class GPSE(torch.nn.Module):
         return model
 
     def forward(self, batch):
+        batch = batch.clone()
         for module in self.children():
             batch = module(batch)
         return batch
@@ -635,13 +633,11 @@ class GPSENodeEncoder(torch.nn.Module):
 
         encoder = GPSENodeEncoder(dim_emb=128, dim_pe_in=32, dim_pe_out=64,
                                   expand_x=False)
-        gnn = GNN(dim_in=128, dim_out=128, num_layers=4)
+        gnn = GNN(...)
 
         for batch in loader:
-            batch = encoder(batch)
-            batch = gnn(batch)
-            # Do something with the batch, which now includes 128-dimensional
-            # node representations
+            x = encoder(batch.x, batch.pestat_GPSE)
+            batch = gnn(x, batch.edge_index)
 
     Args:
         dim_emb (int): Size of final node embedding.
@@ -705,28 +701,17 @@ class GPSENodeEncoder(torch.nn.Module):
             raise ValueError(f"{self.__class__.__name__}: Does not support "
                              f"'{model_type}' encoder model.")
 
-    def forward(self, batch):
-        if not hasattr(batch, 'pestat_GPSE'):
-            raise ValueError('Precomputed "pestat_GPSE" variable is required '
-                             'for GNNNodeEncoder; either run '
-                             '`precompute_GPSE(gpse_model, dataset)` on your '
-                             'dataset or add `AddGPSE(gpse_model)` as a (pre) '
-                             'transform.')
-
-        pos_enc = batch.pestat_GPSE
-
+    def forward(self, x, pos_enc):
         pos_enc = self.dropout_be(pos_enc)
         pos_enc = self.raw_norm(pos_enc) if self.raw_norm else pos_enc
         pos_enc = self.pe_encoder(pos_enc)  # (Num nodes) x dim_pe
         pos_enc = self.dropout_ae(pos_enc)
 
         # Expand node features if needed
-        h = self.linear_x(batch.x) if self.expand_x else batch.x
+        h = self.linear_x(x) if self.expand_x else x
 
         # Concatenate final PEs to input embedding
-        batch.x = torch.cat((h, pos_enc), 1)
-
-        return batch
+        return torch.cat((h, pos_enc), 1)
 
 
 @torch.no_grad()

{pyg_nightly-2.7.0.dev20250407 → pyg_nightly-2.7.0.dev20250408}/torch_geometric/transforms/rooted_subgraph.py

@@ -94,7 +94,7 @@ class RootedSubgraph(BaseTransform, ABC):
         arange = torch.arange(n_id.size(0), device=data.edge_index.device)
         node_map = data.edge_index.new_ones(num_nodes, num_nodes)
         node_map[n_sub_batch, n_id] = arange
-        sub_edge_index += (arange * data.num_nodes)[e_sub_batch]
+        sub_edge_index += (arange * num_nodes)[e_sub_batch]
         sub_edge_index = node_map.view(-1)[sub_edge_index]
 
         return sub_edge_index, n_id, e_id, n_sub_batch, e_sub_batch

{pyg_nightly-2.7.0.dev20250407 → pyg_nightly-2.7.0.dev20250408}/torch_geometric/utils/_negative_sampling.py

@@ -109,10 +109,9 @@ def negative_sampling(
         idx = idx.to('cpu')
         for _ in range(3):  # Number of tries to sample negative indices.
             rnd = sample(population, sample_size, device='cpu')
-            mask = np.isin(rnd.numpy(), idx.numpy())  # type: ignore
+            mask = torch.from_numpy(np.isin(rnd.numpy(), idx.numpy())).bool()
             if neg_idx is not None:
-                mask |= np.isin(rnd, neg_idx.to('cpu'))
-            mask = torch.from_numpy(mask).to(torch.bool)
+                mask |= torch.from_numpy(np.isin(rnd, neg_idx.cpu())).bool()
             rnd = rnd[~mask].to(edge_index.device)
             neg_idx = rnd if neg_idx is None else torch.cat([neg_idx, rnd])
             if neg_idx.numel() >= num_neg_samples: