pyg-nightly 2.6.0.dev20240406__tar.gz → 2.7.0.dev20250114__tar.gz

{pyg_nightly-2.6.0.dev20240406 → pyg_nightly-2.7.0.dev20250114}/PKG-INFO

@@ -1,15 +1,14 @@
-Metadata-Version: 2.1
+Metadata-Version: 2.3
 Name: pyg-nightly
-Version: 2.6.0.dev20240406
+Version: 2.7.0.dev20250114
 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: >=3.8
+Requires-Python: >=3.9
 Description-Content-Type: text/markdown
 Classifier: Development Status :: 5 - Production/Stable
 Classifier: License :: OSI Approved :: MIT License
 Classifier: Programming Language :: Python
-Classifier: Programming Language :: Python :: 3.8
 Classifier: Programming Language :: Python :: 3.9
 Classifier: Programming Language :: Python :: 3.10
 Classifier: Programming Language :: Python :: 3.11
@@ -22,8 +21,6 @@ Requires-Dist: numpy
 Requires-Dist: psutil>=5.8.0
 Requires-Dist: pyparsing
 Requires-Dist: requests
-Requires-Dist: scikit-learn
-Requires-Dist: scipy
 Requires-Dist: tqdm
 Requires-Dist: matplotlib ; extra == "benchmark"
 Requires-Dist: networkx ; extra == "benchmark"
@@ -34,13 +31,15 @@ Requires-Dist: ipython ; extra == "dev"
 Requires-Dist: matplotlib-inline ; extra == "dev"
 Requires-Dist: pre-commit ; extra == "dev"
 Requires-Dist: torch_geometric[test] ; extra == "dev"
+Requires-Dist: scipy ; extra == "full"
+Requires-Dist: scikit-learn ; extra == "full"
 Requires-Dist: ase ; extra == "full"
 Requires-Dist: captum<0.7.0 ; extra == "full"
 Requires-Dist: graphviz ; extra == "full"
 Requires-Dist: h5py ; extra == "full"
 Requires-Dist: matplotlib ; extra == "full"
 Requires-Dist: networkx ; extra == "full"
-Requires-Dist: numba ; extra == "full"
+Requires-Dist: numba<0.60.0 ; extra == "full"
 Requires-Dist: opt_einsum ; extra == "full"
 Requires-Dist: pandas ; extra == "full"
 Requires-Dist: pgmpy ; extra == "full"
@@ -56,7 +55,7 @@ Requires-Dist: torch_geometric[graphgym, modelhub] ; extra == "full"
 Requires-Dist: torchmetrics ; extra == "full"
 Requires-Dist: trimesh ; extra == "full"
 Requires-Dist: protobuf<4.21 ; extra == "graphgym"
-Requires-Dist: pytorch-lightning ; extra == "graphgym"
+Requires-Dist: pytorch-lightning<2.3.0 ; extra == "graphgym"
 Requires-Dist: yacs ; extra == "graphgym"
 Requires-Dist: huggingface_hub ; extra == "modelhub"
 Requires-Dist: onnx ; extra == "test"
@@ -92,7 +91,7 @@ ______________________________________________________________________
 **PyG** *(PyTorch Geometric)* is a library built upon [PyTorch](https://pytorch.org/) to easily write and train Graph Neural Networks (GNNs) for a wide range of applications related to structured data.
 
 It consists of various methods for deep learning on graphs and other irregular structures, also known as *[geometric deep learning](http://geometricdeeplearning.com/)*, from a variety of published papers.
-In addition, it consists of easy-to-use mini-batch loaders for operating on many small and single giant graphs, [multi GPU-support](https://github.com/pyg-team/pytorch_geometric/tree/master/examples/multi_gpu), [`torch.compile`](https://pytorch-geometric.readthedocs.io/en/latest/advanced/compile.html) support, [`DataPipe`](https://github.com/pyg-team/pytorch_geometric/blob/master/examples/datapipe.py) support, a large number of common benchmark datasets (based on simple interfaces to create your own), the [GraphGym](https://pytorch-geometric.readthedocs.io/en/latest/advanced/graphgym.html) experiment manager, and helpful transforms, both for learning on arbitrary graphs as well as on 3D meshes or point clouds.
+In addition, it consists of easy-to-use mini-batch loaders for operating on many small and single giant graphs, [multi GPU-support](https://github.com/pyg-team/pytorch_geometric/tree/master/examples/multi_gpu), [`torch.compile`](https://pytorch-geometric.readthedocs.io/en/latest/advanced/compile.html) support, [`DataPipe`](https://github.com/pyg-team/pytorch_geometric/blob/master/examples/datapipe.py) support, a large number of common benchmark datasets (based on simple interfaces to create your own), and helpful transforms, both for learning on arbitrary graphs as well as on 3D meshes or point clouds.
 
 **[Click here to join our Slack community!][slack-url]**
 
@@ -123,7 +122,6 @@ Whether you are a machine learning researcher or first-time user of machine lear
   Making modifications to existing models or creating new architectures is simple, thanks to its easy-to-use message passing API, and a variety of operators and utility functions.
 - **Large-scale real-world GNN models**:
   We focus on the need of GNN applications in challenging real-world scenarios, and support learning on diverse types of graphs, including but not limited to: scalable GNNs for graphs with millions of nodes; dynamic GNNs for node predictions over time; heterogeneous GNNs with multiple node types and edge types.
-- **GraphGym integration**: GraphGym lets users easily reproduce GNN experiments, is able to launch and analyze thousands of different GNN configurations, and is customizable by registering new modules to a GNN learning pipeline.
 
 ## Quick Tour for New Users
 
@@ -186,7 +184,7 @@ More information about evaluating final model performance can be found in the co
 In addition to the easy application of existing GNNs, PyG makes it simple to implement custom Graph Neural Networks (see [here](https://pytorch-geometric.readthedocs.io/en/latest/tutorial/create_gnn.html) for the accompanying tutorial).
 For example, this is all it takes to implement the [edge convolutional layer](https://arxiv.org/abs/1801.07829) from Wang *et al.*:
 
-$$x_i^{\\prime} ~ = ~ \\max\_{j \\in \\mathcal{N}(i)} ~ \\textrm{MLP}\_{\\theta} \\left( \[ ~ x_i, ~ x_j - x_i ~ \] \\right)$$
+$$x_i^{\\prime} ~ = ~ \\max\_{j \\in \\mathcal{N}(i)} ~ \\textrm{MLP}\_{\\theta} \\left( [ ~ x_i, ~ x_j - x_i ~ ] \\right)$$
 
 ```python
 import torch
@@ -215,20 +213,6 @@ class EdgeConv(MessagePassing):
         return self.mlp(edge_features)  # shape [num_edges, out_channels]
 ```
 
-### Manage experiments with GraphGym
-
-GraphGym allows you to manage and launch GNN experiments, using a highly modularized pipeline (see [here](https://pytorch-geometric.readthedocs.io/en/latest/advanced/graphgym.html) for the accompanying tutorial).
-
-```
-git clone https://github.com/pyg-team/pytorch_geometric.git
-cd pytorch_geometric/graphgym
-bash run_single.sh  # run a single GNN experiment (node/edge/graph-level)
-bash run_batch.sh   # run a batch of GNN experiments, using differnt GNN designs/datasets/tasks
-```
-
-Users are highly encouraged to check out the [documentation](https://pytorch-geometric.readthedocs.io/en/latest), which contains additional tutorials on the essential functionalities of PyG, including data handling, creation of datasets and a full list of implemented methods, transforms, and datasets.
-For a quick start, check out our [examples](https://github.com/pyg-team/pytorch_geometric/tree/master/examples) in `examples/`.
-
 ## Architecture Overview
 
 PyG provides a multi-layer framework that enables users to build Graph Neural Network solutions on both low and high levels.
@@ -267,7 +251,7 @@ These GNN layers can be stacked together to create Graph Neural Network models.
 - **[EGConv](https://pytorch-geometric.readthedocs.io/en/latest/generated/torch_geometric.nn.conv.EGConv.html)** from Tailor *et al.*: [Adaptive Filters and Aggregator Fusion for Efficient Graph Convolutions](https://arxiv.org/abs/2104.01481) (GNNSys 2021) \[[**Example**](https://github.com/pyg-team/pytorch_geometric/blob/master/examples/egc.py)\]
 - **[GATv2Conv](https://pytorch-geometric.readthedocs.io/en/latest/generated/torch_geometric.nn.conv.GATv2Conv.html)** from Brody *et al.*: [How Attentive are Graph Attention Networks?](https://arxiv.org/abs/2105.14491) (ICLR 2022)
 - **[TransformerConv](https://pytorch-geometric.readthedocs.io/en/latest/generated/torch_geometric.nn.conv.TransformerConv.html)** from Shi *et al.*: [Masked Label Prediction: Unified Message Passing Model for Semi-Supervised Classification](https://arxiv.org/abs/2009.03509) (CoRR 2020) \[[**Example**](https://github.com/pyg-team/pytorch_geometric/blob/master/examples/unimp_arxiv.py)\]
-- **[SAGEConv](https://pytorch-geometric.readthedocs.io/en/latest/generated/torch_geometric.nn.conv.SAGEConv.html)** from Hamilton *et al.*: [Inductive Representation Learning on Large Graphs](https://arxiv.org/abs/1706.02216) (NIPS 2017) \[[**Example1**](https://github.com/pyg-team/pytorch_geometric/blob/master/examples/reddit.py), [**Example2**](https://github.com/pyg-team/pytorch_geometric/blob/master/examples/ogbn_products_sage.py), [**Example3**](https://github.com/pyg-team/pytorch_geometric/blob/master/examples/graph_sage_unsup.py), [**Example4**](https://github.com/pyg-team/pytorch_geometric/blob/master/examples/graph_sage_unsup_ppi.py)\]
+- **[SAGEConv](https://pytorch-geometric.readthedocs.io/en/latest/generated/torch_geometric.nn.conv.SAGEConv.html)** from Hamilton *et al.*: [Inductive Representation Learning on Large Graphs](https://arxiv.org/abs/1706.02216) (NIPS 2017) \[[**Example1**](https://github.com/pyg-team/pytorch_geometric/blob/master/examples/reddit.py), [**Example2**](https://github.com/pyg-team/pytorch_geometric/blob/master/examples/ogbn_train.py), [**Example3**](https://github.com/pyg-team/pytorch_geometric/blob/master/examples/graph_sage_unsup.py), [**Example4**](https://github.com/pyg-team/pytorch_geometric/blob/master/examples/graph_sage_unsup_ppi.py)\]
 - **[GraphConv](https://pytorch-geometric.readthedocs.io/en/latest/generated/torch_geometric.nn.conv.GraphConv.html)** from, *e.g.*, Morris *et al.*: [Weisfeiler and Leman Go Neural: Higher-order Graph Neural Networks](https://arxiv.org/abs/1810.02244) (AAAI 2019)
 - **[GatedGraphConv](https://pytorch-geometric.readthedocs.io/en/latest/generated/torch_geometric.nn.conv.GatedGraphConv.html)** from Li *et al.*: [Gated Graph Sequence Neural Networks](https://arxiv.org/abs/1511.05493) (ICLR 2016)
 - **[ResGatedGraphConv](https://pytorch-geometric.readthedocs.io/en/latest/generated/torch_geometric.nn.conv.ResGatedGraphConv.html)** from Bresson and Laurent: [Residual Gated Graph ConvNets](https://arxiv.org/abs/1711.07553) (CoRR 2017)
@@ -410,7 +394,7 @@ Such application is challenging since the entire graph, its associated features
 Many state-of-the-art scalability approaches tackle this challenge by sampling neighborhoods for mini-batch training, graph clustering and partitioning, or by using simplified GNN models.
 These approaches have been implemented in PyG, and can benefit from the above GNN layers, operators and models.
 
-- **[NeighborLoader](https://pytorch-geometric.readthedocs.io/en/latest/modules/loader.html#torch_geometric.loader.NeighborLoader)** from Hamilton *et al.*: [Inductive Representation Learning on Large Graphs](https://arxiv.org/abs/1706.02216) (NIPS 2017) \[[**Example1**](https://github.com/pyg-team/pytorch_geometric/blob/master/examples/reddit.py), [**Example2**](https://github.com/pyg-team/pytorch_geometric/blob/master/examples/ogbn_products_sage.py), [**Example3**](https://github.com/pyg-team/pytorch_geometric/blob/master/examples/ogbn_products_gat.py), [**Example4**](https://github.com/pyg-team/pytorch_geometric/blob/master/examples/hetero/to_hetero_mag.py)\]
+- **[NeighborLoader](https://pytorch-geometric.readthedocs.io/en/latest/modules/loader.html#torch_geometric.loader.NeighborLoader)** from Hamilton *et al.*: [Inductive Representation Learning on Large Graphs](https://arxiv.org/abs/1706.02216) (NIPS 2017) \[[**Example1**](https://github.com/pyg-team/pytorch_geometric/blob/master/examples/reddit.py), [**Example2**](https://github.com/pyg-team/pytorch_geometric/blob/master/examples/ogbn_train.py), [**Example3**](https://github.com/pyg-team/pytorch_geometric/blob/master/examples/hetero/to_hetero_mag.py)\]
 - **[ClusterGCN](https://pytorch-geometric.readthedocs.io/en/latest/modules/loader.html#torch_geometric.loader.ClusterLoader)** from Chiang *et al.*: [Cluster-GCN: An Efficient Algorithm for Training Deep and Large Graph Convolutional Networks](https://arxiv.org/abs/1905.07953) (KDD 2019) \[[**Example1**](https://github.com/pyg-team/pytorch_geometric/blob/master/examples/cluster_gcn_reddit.py), [**Example2**](https://github.com/pyg-team/pytorch_geometric/blob/master/examples/cluster_gcn_ppi.py)\]
 - **[GraphSAINT](https://pytorch-geometric.readthedocs.io/en/latest/modules/loader.html#torch_geometric.loader.GraphSAINTSampler)** from Zeng *et al.*: [GraphSAINT: Graph Sampling Based Inductive Learning Method](https://arxiv.org/abs/1907.04931) (ICLR 2020) \[[**Example**](https://github.com/pyg-team/pytorch_geometric/blob/master/examples/graph_saint.py)\]
 
@@ -425,7 +409,7 @@ These approaches have been implemented in PyG, and can benefit from the above GN
 
 ## Installation
 
-PyG is available for Python 3.8 to Python 3.12.
+PyG is available for Python 3.9 to Python 3.12.
 
 ### Anaconda
 
@@ -462,39 +446,39 @@ 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 2.2
+#### PyTorch 2.5
 
-To install the binaries for PyTorch 2.2.0, simply run
+To install the binaries for PyTorch 2.5.0, simply run
 
 ```
-pip install pyg_lib torch_scatter torch_sparse torch_cluster torch_spline_conv -f https://data.pyg.org/whl/torch-2.2.0+${CUDA}.html
+pip install pyg_lib torch_scatter torch_sparse torch_cluster torch_spline_conv -f https://data.pyg.org/whl/torch-2.5.0+${CUDA}.html
 ```
 
-where `${CUDA}` should be replaced by either `cpu`, `cu118`, or `cu121` depending on your PyTorch installation.
+where `${CUDA}` should be replaced by either `cpu`, `cu118`, `cu121`, or `cu124` depending on your PyTorch installation.
 
-|             | `cpu` | `cu118` | `cu121` |
-| ----------- | ----- | ------- | ------- |
-| **Linux**   | ✅     | ✅       | ✅       |
-| **Windows** | ✅     | ✅       | ✅       |
-| **macOS**   | ✅     |         |         |
+|             | `cpu` | `cu118` | `cu121` | `cu124` |
+| ----------- | ----- | ------- | ------- | ------- |
+| **Linux**   | ✅    | ✅      | ✅      | ✅      |
+| **Windows** | ✅    | ✅      | ✅      | ✅      |
+| **macOS**   | ✅    |         |         |         |
 
-#### PyTorch 2.1
+#### PyTorch 2.4
 
-To install the binaries for PyTorch 2.1.0, simply run
+To install the binaries for PyTorch 2.4.0, simply run
 
 ```
-pip install pyg_lib torch_scatter torch_sparse torch_cluster torch_spline_conv -f https://data.pyg.org/whl/torch-2.1.0+${CUDA}.html
+pip install pyg_lib torch_scatter torch_sparse torch_cluster torch_spline_conv -f https://data.pyg.org/whl/torch-2.4.0+${CUDA}.html
 ```
 
-where `${CUDA}` should be replaced by either `cpu`, `cu118`, or `cu121` depending on your PyTorch installation.
+where `${CUDA}` should be replaced by either `cpu`, `cu118`, `cu121`, or `cu124` depending on your PyTorch installation.
 
-|             | `cpu` | `cu118` | `cu121` |
-| ----------- | ----- | ------- | ------- |
-| **Linux**   | ✅     | ✅       | ✅       |
-| **Windows** | ✅     | ✅       | ✅       |
-| **macOS**   | ✅     |         |         |
+|             | `cpu` | `cu118` | `cu121` | `cu124` |
+| ----------- | ----- | ------- | ------- | ------- |
+| **Linux**   | ✅    | ✅      | ✅      | ✅      |
+| **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, and PyTorch 2.0.0 (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, and PyTorch 2.3.0/2.3.1 (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-2.6.0.dev20240406 → pyg_nightly-2.7.0.dev20250114}/README.md

@@ -16,7 +16,7 @@ ______________________________________________________________________
 **PyG** *(PyTorch Geometric)* is a library built upon [PyTorch](https://pytorch.org/) to easily write and train Graph Neural Networks (GNNs) for a wide range of applications related to structured data.
 
 It consists of various methods for deep learning on graphs and other irregular structures, also known as *[geometric deep learning](http://geometricdeeplearning.com/)*, from a variety of published papers.
-In addition, it consists of easy-to-use mini-batch loaders for operating on many small and single giant graphs, [multi GPU-support](https://github.com/pyg-team/pytorch_geometric/tree/master/examples/multi_gpu), [`torch.compile`](https://pytorch-geometric.readthedocs.io/en/latest/advanced/compile.html) support, [`DataPipe`](https://github.com/pyg-team/pytorch_geometric/blob/master/examples/datapipe.py) support, a large number of common benchmark datasets (based on simple interfaces to create your own), the [GraphGym](https://pytorch-geometric.readthedocs.io/en/latest/advanced/graphgym.html) experiment manager, and helpful transforms, both for learning on arbitrary graphs as well as on 3D meshes or point clouds.
+In addition, it consists of easy-to-use mini-batch loaders for operating on many small and single giant graphs, [multi GPU-support](https://github.com/pyg-team/pytorch_geometric/tree/master/examples/multi_gpu), [`torch.compile`](https://pytorch-geometric.readthedocs.io/en/latest/advanced/compile.html) support, [`DataPipe`](https://github.com/pyg-team/pytorch_geometric/blob/master/examples/datapipe.py) support, a large number of common benchmark datasets (based on simple interfaces to create your own), and helpful transforms, both for learning on arbitrary graphs as well as on 3D meshes or point clouds.
 
 **[Click here to join our Slack community!][slack-url]**
 
@@ -47,7 +47,6 @@ Whether you are a machine learning researcher or first-time user of machine lear
   Making modifications to existing models or creating new architectures is simple, thanks to its easy-to-use message passing API, and a variety of operators and utility functions.
 - **Large-scale real-world GNN models**:
   We focus on the need of GNN applications in challenging real-world scenarios, and support learning on diverse types of graphs, including but not limited to: scalable GNNs for graphs with millions of nodes; dynamic GNNs for node predictions over time; heterogeneous GNNs with multiple node types and edge types.
-- **GraphGym integration**: GraphGym lets users easily reproduce GNN experiments, is able to launch and analyze thousands of different GNN configurations, and is customizable by registering new modules to a GNN learning pipeline.
 
 ## Quick Tour for New Users
 
@@ -110,7 +109,7 @@ More information about evaluating final model performance can be found in the co
 In addition to the easy application of existing GNNs, PyG makes it simple to implement custom Graph Neural Networks (see [here](https://pytorch-geometric.readthedocs.io/en/latest/tutorial/create_gnn.html) for the accompanying tutorial).
 For example, this is all it takes to implement the [edge convolutional layer](https://arxiv.org/abs/1801.07829) from Wang *et al.*:
 
-$$x_i^{\\prime} ~ = ~ \\max\_{j \\in \\mathcal{N}(i)} ~ \\textrm{MLP}\_{\\theta} \\left( \[ ~ x_i, ~ x_j - x_i ~ \] \\right)$$
+$$x_i^{\\prime} ~ = ~ \\max\_{j \\in \\mathcal{N}(i)} ~ \\textrm{MLP}\_{\\theta} \\left( [ ~ x_i, ~ x_j - x_i ~ ] \\right)$$
 
 ```python
 import torch
@@ -139,20 +138,6 @@ class EdgeConv(MessagePassing):
         return self.mlp(edge_features)  # shape [num_edges, out_channels]
 ```
 
-### Manage experiments with GraphGym
-
-GraphGym allows you to manage and launch GNN experiments, using a highly modularized pipeline (see [here](https://pytorch-geometric.readthedocs.io/en/latest/advanced/graphgym.html) for the accompanying tutorial).
-
-```
-git clone https://github.com/pyg-team/pytorch_geometric.git
-cd pytorch_geometric/graphgym
-bash run_single.sh  # run a single GNN experiment (node/edge/graph-level)
-bash run_batch.sh   # run a batch of GNN experiments, using differnt GNN designs/datasets/tasks
-```
-
-Users are highly encouraged to check out the [documentation](https://pytorch-geometric.readthedocs.io/en/latest), which contains additional tutorials on the essential functionalities of PyG, including data handling, creation of datasets and a full list of implemented methods, transforms, and datasets.
-For a quick start, check out our [examples](https://github.com/pyg-team/pytorch_geometric/tree/master/examples) in `examples/`.
-
 ## Architecture Overview
 
 PyG provides a multi-layer framework that enables users to build Graph Neural Network solutions on both low and high levels.
@@ -191,7 +176,7 @@ These GNN layers can be stacked together to create Graph Neural Network models.
 - **[EGConv](https://pytorch-geometric.readthedocs.io/en/latest/generated/torch_geometric.nn.conv.EGConv.html)** from Tailor *et al.*: [Adaptive Filters and Aggregator Fusion for Efficient Graph Convolutions](https://arxiv.org/abs/2104.01481) (GNNSys 2021) \[[**Example**](https://github.com/pyg-team/pytorch_geometric/blob/master/examples/egc.py)\]
 - **[GATv2Conv](https://pytorch-geometric.readthedocs.io/en/latest/generated/torch_geometric.nn.conv.GATv2Conv.html)** from Brody *et al.*: [How Attentive are Graph Attention Networks?](https://arxiv.org/abs/2105.14491) (ICLR 2022)
 - **[TransformerConv](https://pytorch-geometric.readthedocs.io/en/latest/generated/torch_geometric.nn.conv.TransformerConv.html)** from Shi *et al.*: [Masked Label Prediction: Unified Message Passing Model for Semi-Supervised Classification](https://arxiv.org/abs/2009.03509) (CoRR 2020) \[[**Example**](https://github.com/pyg-team/pytorch_geometric/blob/master/examples/unimp_arxiv.py)\]
-- **[SAGEConv](https://pytorch-geometric.readthedocs.io/en/latest/generated/torch_geometric.nn.conv.SAGEConv.html)** from Hamilton *et al.*: [Inductive Representation Learning on Large Graphs](https://arxiv.org/abs/1706.02216) (NIPS 2017) \[[**Example1**](https://github.com/pyg-team/pytorch_geometric/blob/master/examples/reddit.py), [**Example2**](https://github.com/pyg-team/pytorch_geometric/blob/master/examples/ogbn_products_sage.py), [**Example3**](https://github.com/pyg-team/pytorch_geometric/blob/master/examples/graph_sage_unsup.py), [**Example4**](https://github.com/pyg-team/pytorch_geometric/blob/master/examples/graph_sage_unsup_ppi.py)\]
+- **[SAGEConv](https://pytorch-geometric.readthedocs.io/en/latest/generated/torch_geometric.nn.conv.SAGEConv.html)** from Hamilton *et al.*: [Inductive Representation Learning on Large Graphs](https://arxiv.org/abs/1706.02216) (NIPS 2017) \[[**Example1**](https://github.com/pyg-team/pytorch_geometric/blob/master/examples/reddit.py), [**Example2**](https://github.com/pyg-team/pytorch_geometric/blob/master/examples/ogbn_train.py), [**Example3**](https://github.com/pyg-team/pytorch_geometric/blob/master/examples/graph_sage_unsup.py), [**Example4**](https://github.com/pyg-team/pytorch_geometric/blob/master/examples/graph_sage_unsup_ppi.py)\]
 - **[GraphConv](https://pytorch-geometric.readthedocs.io/en/latest/generated/torch_geometric.nn.conv.GraphConv.html)** from, *e.g.*, Morris *et al.*: [Weisfeiler and Leman Go Neural: Higher-order Graph Neural Networks](https://arxiv.org/abs/1810.02244) (AAAI 2019)
 - **[GatedGraphConv](https://pytorch-geometric.readthedocs.io/en/latest/generated/torch_geometric.nn.conv.GatedGraphConv.html)** from Li *et al.*: [Gated Graph Sequence Neural Networks](https://arxiv.org/abs/1511.05493) (ICLR 2016)
 - **[ResGatedGraphConv](https://pytorch-geometric.readthedocs.io/en/latest/generated/torch_geometric.nn.conv.ResGatedGraphConv.html)** from Bresson and Laurent: [Residual Gated Graph ConvNets](https://arxiv.org/abs/1711.07553) (CoRR 2017)
@@ -334,7 +319,7 @@ Such application is challenging since the entire graph, its associated features
 Many state-of-the-art scalability approaches tackle this challenge by sampling neighborhoods for mini-batch training, graph clustering and partitioning, or by using simplified GNN models.
 These approaches have been implemented in PyG, and can benefit from the above GNN layers, operators and models.
 
-- **[NeighborLoader](https://pytorch-geometric.readthedocs.io/en/latest/modules/loader.html#torch_geometric.loader.NeighborLoader)** from Hamilton *et al.*: [Inductive Representation Learning on Large Graphs](https://arxiv.org/abs/1706.02216) (NIPS 2017) \[[**Example1**](https://github.com/pyg-team/pytorch_geometric/blob/master/examples/reddit.py), [**Example2**](https://github.com/pyg-team/pytorch_geometric/blob/master/examples/ogbn_products_sage.py), [**Example3**](https://github.com/pyg-team/pytorch_geometric/blob/master/examples/ogbn_products_gat.py), [**Example4**](https://github.com/pyg-team/pytorch_geometric/blob/master/examples/hetero/to_hetero_mag.py)\]
+- **[NeighborLoader](https://pytorch-geometric.readthedocs.io/en/latest/modules/loader.html#torch_geometric.loader.NeighborLoader)** from Hamilton *et al.*: [Inductive Representation Learning on Large Graphs](https://arxiv.org/abs/1706.02216) (NIPS 2017) \[[**Example1**](https://github.com/pyg-team/pytorch_geometric/blob/master/examples/reddit.py), [**Example2**](https://github.com/pyg-team/pytorch_geometric/blob/master/examples/ogbn_train.py), [**Example3**](https://github.com/pyg-team/pytorch_geometric/blob/master/examples/hetero/to_hetero_mag.py)\]
 - **[ClusterGCN](https://pytorch-geometric.readthedocs.io/en/latest/modules/loader.html#torch_geometric.loader.ClusterLoader)** from Chiang *et al.*: [Cluster-GCN: An Efficient Algorithm for Training Deep and Large Graph Convolutional Networks](https://arxiv.org/abs/1905.07953) (KDD 2019) \[[**Example1**](https://github.com/pyg-team/pytorch_geometric/blob/master/examples/cluster_gcn_reddit.py), [**Example2**](https://github.com/pyg-team/pytorch_geometric/blob/master/examples/cluster_gcn_ppi.py)\]
 - **[GraphSAINT](https://pytorch-geometric.readthedocs.io/en/latest/modules/loader.html#torch_geometric.loader.GraphSAINTSampler)** from Zeng *et al.*: [GraphSAINT: Graph Sampling Based Inductive Learning Method](https://arxiv.org/abs/1907.04931) (ICLR 2020) \[[**Example**](https://github.com/pyg-team/pytorch_geometric/blob/master/examples/graph_saint.py)\]
 
@@ -349,7 +334,7 @@ These approaches have been implemented in PyG, and can benefit from the above GN
 
 ## Installation
 
-PyG is available for Python 3.8 to Python 3.12.
+PyG is available for Python 3.9 to Python 3.12.
 
 ### Anaconda
 
@@ -386,39 +371,39 @@ 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 2.2
+#### PyTorch 2.5
 
-To install the binaries for PyTorch 2.2.0, simply run
+To install the binaries for PyTorch 2.5.0, simply run
 
 ```
-pip install pyg_lib torch_scatter torch_sparse torch_cluster torch_spline_conv -f https://data.pyg.org/whl/torch-2.2.0+${CUDA}.html
+pip install pyg_lib torch_scatter torch_sparse torch_cluster torch_spline_conv -f https://data.pyg.org/whl/torch-2.5.0+${CUDA}.html
 ```
 
-where `${CUDA}` should be replaced by either `cpu`, `cu118`, or `cu121` depending on your PyTorch installation.
+where `${CUDA}` should be replaced by either `cpu`, `cu118`, `cu121`, or `cu124` depending on your PyTorch installation.
 
-|             | `cpu` | `cu118` | `cu121` |
-| ----------- | ----- | ------- | ------- |
-| **Linux**   | ✅     | ✅       | ✅       |
-| **Windows** | ✅     | ✅       | ✅       |
-| **macOS**   | ✅     |         |         |
+|             | `cpu` | `cu118` | `cu121` | `cu124` |
+| ----------- | ----- | ------- | ------- | ------- |
+| **Linux**   | ✅    | ✅      | ✅      | ✅      |
+| **Windows** | ✅    | ✅      | ✅      | ✅      |
+| **macOS**   | ✅    |         |         |         |
 
-#### PyTorch 2.1
+#### PyTorch 2.4
 
-To install the binaries for PyTorch 2.1.0, simply run
+To install the binaries for PyTorch 2.4.0, simply run
 
 ```
-pip install pyg_lib torch_scatter torch_sparse torch_cluster torch_spline_conv -f https://data.pyg.org/whl/torch-2.1.0+${CUDA}.html
+pip install pyg_lib torch_scatter torch_sparse torch_cluster torch_spline_conv -f https://data.pyg.org/whl/torch-2.4.0+${CUDA}.html
 ```
 
-where `${CUDA}` should be replaced by either `cpu`, `cu118`, or `cu121` depending on your PyTorch installation.
+where `${CUDA}` should be replaced by either `cpu`, `cu118`, `cu121`, or `cu124` depending on your PyTorch installation.
 
-|             | `cpu` | `cu118` | `cu121` |
-| ----------- | ----- | ------- | ------- |
-| **Linux**   | ✅     | ✅       | ✅       |
-| **Windows** | ✅     | ✅       | ✅       |
-| **macOS**   | ✅     |         |         |
+|             | `cpu` | `cu118` | `cu121` | `cu124` |
+| ----------- | ----- | ------- | ------- | ------- |
+| **Linux**   | ✅    | ✅      | ✅      | ✅      |
+| **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, and PyTorch 2.0.0 (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, and PyTorch 2.3.0/2.3.1 (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-2.6.0.dev20240406 → pyg_nightly-2.7.0.dev20250114}/pyproject.toml

@@ -4,13 +4,13 @@ build-backend="flit_core.buildapi"
 
 [project]
 name="pyg-nightly"
-version="2.6.0.dev20240406"
+version="2.7.0.dev20250114"
 authors=[
     {name="Matthias Fey", email="matthias@pyg.org"},
 ]
 description="Graph Neural Network Library for PyTorch"
 readme="README.md"
-requires-python=">=3.8"
+requires-python=">=3.9"
 keywords=[
     "deep-learning",
     "pytorch",
@@ -22,7 +22,6 @@ classifiers=[
     "Development Status :: 5 - Production/Stable",
     "License :: OSI Approved :: MIT License",
     "Programming Language :: Python",
-    "Programming Language :: Python :: 3.8",
     "Programming Language :: Python :: 3.9",
     "Programming Language :: Python :: 3.10",
     "Programming Language :: Python :: 3.11",
@@ -37,15 +36,13 @@ dependencies=[
     "psutil>=5.8.0",
     "pyparsing",
     "requests",
-    "scikit-learn",
-    "scipy",
     "tqdm",
 ]
 
 [project.optional-dependencies]
 graphgym=[
     "protobuf<4.21",
-    "pytorch-lightning",
+    "pytorch-lightning<2.3.0",
     "yacs",
 ]
 modelhub=[
@@ -71,13 +68,15 @@ dev=[
     "torch_geometric[test]",
 ]
 full = [
+    "scipy",
+    "scikit-learn",
     "ase",
     "captum<0.7.0",
     "graphviz",
     "h5py",
     "matplotlib",
     "networkx",
-    "numba",
+    "numba<0.60.0",
     "opt_einsum",
     "pandas",
     "pgmpy",
@@ -140,6 +139,12 @@ include_trailing_comma = true
 skip = [".gitignore", "__init__.py"]
 
 [tool.ruff]  # https://docs.astral.sh/ruff/rules
+src = ["torch_geometric"]
+line-length = 80
+indent-width = 4
+target-version = "py39"
+
+[tool.ruff.lint]
 select = [
     "D",  # pydocstyle
 ]
@@ -153,10 +158,9 @@ ignore = [
     "D107",  # Ignore "Missing docstring in __init__"
     "D205",  # Ignore "blank line required between summary line and description"
 ]
-src = ["torch_geometric"]
-line-length = 80
-indent-width = 4
-target-version = "py38"
+
+[tool.ruff.format]
+quote-style = "single"
 
 [tool.ruff.lint.pydocstyle]
 convention = "google"
@@ -203,3 +207,6 @@ exclude_lines = [
     "register_parameter",
     "torch.cuda.is_available",
 ]
+
+[tool.setuptools]
+py-modules = []

{pyg_nightly-2.6.0.dev20240406 → pyg_nightly-2.7.0.dev20250114}/torch_geometric/__init__.py

@@ -1,7 +1,15 @@
+from collections import defaultdict
+
+import torch
+import torch_geometric.typing
+
 from ._compile import compile, is_compiling
+from ._onnx import is_in_onnx_export
+from .index import Index
 from .edge_index import EdgeIndex
 from .seed import seed_everything
 from .home import get_home_dir, set_home_dir
+from .device import is_mps_available, is_xpu_available, device
 from .isinstance import is_torch_instance
 from .debug import is_debug_enabled, debug, set_debug
 
@@ -22,15 +30,20 @@ from .lazy_loader import LazyLoader
 contrib = LazyLoader('contrib', globals(), 'torch_geometric.contrib')
 graphgym = LazyLoader('graphgym', globals(), 'torch_geometric.graphgym')
 
-__version__ = '2.6.0.dev20240406'
+__version__ = '2.7.0.dev20250114'
 
 __all__ = [
+    'Index',
     'EdgeIndex',
     'seed_everything',
     'get_home_dir',
     'set_home_dir',
     'compile',
     'is_compiling',
+    'is_in_onnx_export',
+    'is_mps_available',
+    'is_xpu_available',
+    'device',
     'is_torch_instance',
     'is_debug_enabled',
     'debug',
@@ -41,3 +54,17 @@ __all__ = [
     'torch_geometric',
     '__version__',
 ]
+
+# Serialization ###############################################################
+
+if torch_geometric.typing.WITH_PT24:
+    torch.serialization.add_safe_globals([
+        dict,
+        list,
+        defaultdict,
+        Index,
+        torch_geometric.index.CatMetadata,
+        EdgeIndex,
+        torch_geometric.edge_index.SortOrder,
+        torch_geometric.edge_index.CatMetadata,
+    ])

{pyg_nightly-2.6.0.dev20240406 → pyg_nightly-2.7.0.dev20250114}/torch_geometric/_compile.py

@@ -10,6 +10,8 @@ def is_compiling() -> bool:
     r"""Returns :obj:`True` in case :pytorch:`PyTorch` is compiling via
     :meth:`torch.compile`.
     """
+    if torch_geometric.typing.WITH_PT23:
+        return torch.compiler.is_compiling()
     if torch_geometric.typing.WITH_PT21:
         return torch._dynamo.is_compiling()
     return False  # pragma: no cover
@@ -25,10 +27,15 @@ def compile(
     This function has the same signature as :meth:`torch.compile` (see
     `here <https://pytorch.org/docs/stable/generated/torch.compile.html>`__).
 
+    Args:
+        model: The model to compile.
+        *args: Additional arguments of :meth:`torch.compile`.
+        **kwargs: Additional keyword arguments of :meth:`torch.compile`.
+
     .. note::
         :meth:`torch_geometric.compile` is deprecated in favor of
         :meth:`torch.compile`.
     """
     warnings.warn("'torch_geometric.compile' is deprecated in favor of "
                   "'torch.compile'")
-    return torch.compile(model, *args, **kwargs)
+    return torch.compile(model, *args, **kwargs)  # type: ignore

pyg_nightly-2.7.0.dev20250114/torch_geometric/_onnx.py

@@ -0,0 +1,14 @@
+import torch
+
+from torch_geometric import is_compiling
+
+
+def is_in_onnx_export() -> bool:
+    r"""Returns :obj:`True` in case :pytorch:`PyTorch` is exporting to ONNX via
+    :meth:`torch.onnx.export`.
+    """
+    if is_compiling():
+        return False
+    if torch.jit.is_scripting():
+        return False
+    return torch.onnx.is_in_onnx_export()

pyg_nightly-2.7.0.dev20250114/torch_geometric/config_mixin.py

@@ -0,0 +1,113 @@
+import inspect
+from dataclasses import fields, is_dataclass
+from importlib import import_module
+from typing import Any, Dict
+
+from torch_geometric.config_store import (
+    class_from_dataclass,
+    dataclass_from_class,
+)
+from torch_geometric.isinstance import is_torch_instance
+
+
+class ConfigMixin:
+    r"""Enables a class to serialize/deserialize itself to a dataclass."""
+    def config(self) -> Any:
+        r"""Creates a serializable configuration of the class."""
+        data_cls = dataclass_from_class(self.__class__)
+        if data_cls is None:
+            raise ValueError(f"Could not find the configuration class that "
+                             f"belongs to '{self.__class__.__name__}'. Please "
+                             f"register it in the configuration store.")
+
+        kwargs: Dict[str, Any] = {}
+        for field in fields(data_cls):
+            if not hasattr(self, field.name):
+                continue
+            kwargs[field.name] = _recursive_config(getattr(self, field.name))
+        return data_cls(**kwargs)
+
+    @classmethod
+    def from_config(cls, cfg: Any, *args: Any, **kwargs: Any) -> Any:
+        r"""Instantiates the class from a serializable configuration."""
+        if getattr(cfg, '_target_', None):
+            cls = _locate_cls(cfg._target_)
+        elif isinstance(cfg, dict) and '_target_' in cfg:
+            cls = _locate_cls(cfg['_target_'])
+
+        data_cls = cfg.__class__
+        if not is_dataclass(data_cls):
+            data_cls = dataclass_from_class(cls)
+            if data_cls is None:
+                raise ValueError(f"Could not find the configuration class "
+                                 f"that belongs to '{cls.__name__}'. Please "
+                                 f"register it in the configuration store.")
+
+        field_names = {field.name for field in fields(data_cls)}
+        if isinstance(cfg, dict):
+            _kwargs = {k: v for k, v in cfg.items() if k in field_names}
+            cfg = data_cls(**_kwargs)
+        assert is_dataclass(cfg)
+
+        if len(args) > 0:  # Convert `*args` to `**kwargs`:
+            param_names = list(inspect.signature(cls).parameters.keys())
+            if 'args' in param_names:
+                param_names.remove('args')
+            if 'kwargs' in param_names:
+                param_names.remove('kwargs')
+
+            for name, arg in zip(param_names, args):
+                kwargs[name] = arg
+
+        for key in field_names:
+            if key not in kwargs and key != '_target_':
+                kwargs[key] = _recursive_from_config(getattr(cfg, key))
+
+        return cls(**kwargs)
+
+
+def _recursive_config(value: Any) -> Any:
+    if isinstance(value, ConfigMixin):
+        return value.config()
+    if is_torch_instance(value, ConfigMixin):
+        return value.config()
+    if isinstance(value, (tuple, list)):
+        return [_recursive_config(v) for v in value]
+    if isinstance(value, dict):
+        return {k: _recursive_config(v) for k, v in value.items()}
+    return value
+
+
+def _recursive_from_config(value: Any) -> Any:
+    cls: Any = None
+    if is_dataclass(value):
+        if getattr(value, '_target_', None):
+            try:
+                cls = _locate_cls(value._target_)  # type: ignore
+            except ImportError:
+                pass  # Keep the dataclass as it is.
+        else:
+            cls = class_from_dataclass(value.__class__)
+    elif isinstance(value, dict) and '_target_' in value:
+        cls = _locate_cls(value['_target_'])
+
+    if cls is not None and issubclass(cls, ConfigMixin):
+        return cls.from_config(value)
+    if isinstance(value, (tuple, list)):
+        return [_recursive_from_config(v) for v in value]
+    if isinstance(value, dict):
+        return {k: _recursive_from_config(v) for k, v in value.items()}
+    return value
+
+
+def _locate_cls(qualname: str) -> Any:
+    parts = qualname.split('.')
+
+    if len(parts) <= 1:
+        raise ValueError(f"Qualified name is missing a dot (got '{qualname}')")
+
+    if any([len(part) == 0 for part in parts]):
+        raise ValueError(f"Relative imports not supported (got '{qualname}')")
+
+    module_name, cls_name = '.'.join(parts[:-1]), parts[-1]
+    return getattr(import_module(module_name), cls_name)