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[pypi-image]: https://badge.fury.io/py/torch-cluster.svg # <div align="center"><strong>torch-cluster-1.6.0</strong></div>
[pypi-url]: https://pypi.python.org/pypi/torch-cluster ## 简介
[testing-image]: https://github.com/rusty1s/pytorch_cluster/actions/workflows/testing.yml/badge.svg torch-cluster是一个用于聚类的Python库，它使用PyTorch框架进行深度学习。它提供了一种简单而强大的方法来对数据集进行聚类，特别是对于大规模数据集。
[testing-url]: https://github.com/rusty1s/pytorch_cluster/actions/workflows/testing.yml
[linting-image]: https://github.com/rusty1s/pytorch_cluster/actions/workflows/linting.yml/badge.svg
[linting-url]: https://github.com/rusty1s/pytorch_cluster/actions/workflows/linting.yml
[coverage-image]: https://codecov.io/gh/rusty1s/pytorch_cluster/branch/master/graph/badge.svg
[coverage-url]: https://codecov.io/github/rusty1s/pytorch_cluster?branch=master
# PyTorch Cluster ## 依赖安装
+ pytorch1.10或者pytorch1.13 以及对应的torchvision（建议dtk-22.04.2、dtk-23.04与dtk-23.10）
+ python 3.7-3.10
[![PyPI Version][pypi-image]][pypi-url] ### 1、使用源码编译方式安装
[![Testing Status][testing-image]][testing-url]
[![Linting Status][linting-image]][linting-url]
[![Code Coverage][coverage-image]][coverage-url]
-------------------------------------------------------------------------------- #### 编译环境准备
提供2种环境准备方式：
This package consists of a small extension library of highly optimized graph cluster algorithms for the use in [PyTorch](http://pytorch.org/). 1. 基于光源pytorch基础镜像环境：镜像下载地址：[https://sourcefind.cn/#/image/dcu/pytorch](https://sourcefind.cn/#/image/dcu/pytorch)，根据pytorch、python、dtk及系统下载对应的镜像版本。
The package consists of the following clustering algorithms:
* **[Graclus](#graclus)** from Dhillon *et al.*: [Weighted Graph Cuts without Eigenvectors: A Multilevel Approach](http://www.cs.utexas.edu/users/inderjit/public_papers/multilevel_pami.pdf) (PAMI 2007) 2. 基于现有python环境：安装pytorch和torchvision，whl包下载目录：[https://cancon.hpccube.com:65024/4/main/pytorch](https://cancon.hpccube.com:65024/4/main/pytorch)，[https://cancon.hpccube.com:65024/4/main/vision](https://cancon.hpccube.com:65024/4/main/vision)，根据python、dtk版本,下载对应pytorch和torchvision的whl包。安装命令如下：
* **[Voxel Grid Pooling](#voxelgrid)** from, *e.g.*, Simonovsky and Komodakis: [Dynamic Edge-Conditioned Filters in Convolutional Neural Networks on Graphs](https://arxiv.org/abs/1704.02901) (CVPR 2017) ```shell
* **[Iterative Farthest Point Sampling](#farthestpointsampling)** from, *e.g.* Qi *et al.*: [PointNet++: Deep Hierarchical Feature Learning on Point Sets in a Metric Space](https://arxiv.org/abs/1706.02413) (NIPS 2017) pip install torch* (下载的torch的whl包)
* **[k-NN](#knn-graph)** and **[Radius](#radius-graph)** graph generation pip install torchvision* (下载的torchvision的whl包)
* Clustering based on **[Nearest](#nearest)** points pip install setuptools==59.5.0 wheel
* **[Random Walk Sampling](#randomwalk-sampling)** from, *e.g.*, Grover and Leskovec: [node2vec: Scalable Feature Learning for Networks](https://arxiv.org/abs/1607.00653) (KDD 2016)
All included operations work on varying data types and are implemented both for CPU and GPU.
## Installation
### Anaconda
**Update:** You can now install `pytorch-cluster` via [Anaconda](https://anaconda.org/pyg/pytorch-cluster) for all major OS/PyTorch/CUDA combinations 🤗
Given that you have [`pytorch >= 1.8.0` installed](https://pytorch.org/get-started/locally/), simply run
```
conda install pytorch-cluster -c pyg
```
### Binaries
We alternatively provide pip wheels for all major OS/PyTorch/CUDA combinations, see [here](https://data.pyg.org/whl).
#### PyTorch 1.11
To install the binaries for PyTorch 1.11.0, simply run
```
pip install torch-cluster -f https://data.pyg.org/whl/torch-1.11.0+${CUDA}.html
```
where `${CUDA}` should be replaced by either `cpu`, `cu102`, `cu113`, or `cu115` depending on your PyTorch installation.
| | `cpu` | `cu102` | `cu113` | `cu115` |
|-------------|-------|---------|---------|---------|
| **Linux** | ✅ | ✅ | ✅ | ✅ |
| **Windows** | ✅ | | ✅ | ✅ |
| **macOS** | ✅ | | | |
#### PyTorch 1.10
To install the binaries for PyTorch 1.10.0, PyTorch 1.10.1 and PyTorch 1.10.2, simply run
```
pip install torch-cluster -f https://data.pyg.org/whl/torch-1.10.0+${CUDA}.html
```
where `${CUDA}` should be replaced by either `cpu`, `cu102`, `cu111`, or `cu113` depending on your PyTorch installation.
| | `cpu` | `cu102` | `cu111` | `cu113` |
|-------------|-------|---------|---------|---------|
| **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 and PyTorch 1.9.0 (following the same procedure).
For older versions, you might need to explicitly specify the latest supported version number in order to prevent a manual installation from source.
You can look up the latest supported version number [here](https://data.pyg.org/whl).
### From source
Ensure that at least PyTorch 1.4.0 is installed and verify that `cuda/bin` and `cuda/include` are in your `$PATH` and `$CPATH` respectively, *e.g.*:
```
$ python -c "import torch; print(torch.__version__)"
>>> 1.4.0
$ python -c "import torch; print(torch.__version__)"
>>> 1.1.0
$ echo $PATH
>>> /usr/local/cuda/bin:...
$ echo $CPATH
>>> /usr/local/cuda/include:...
``` ```
Then run: #### 源码编译安装
- 代码下载
```shell
git clone http://developer.hpccube.com/codes/aicomponent/torch-cluster # 根据编译需要切换分支
``` ```
pip install torch-cluster - 源码编译（进入torch-cluster目录）：
``` ```
export C_INCLUDE_PATH=/public/software/apps/DeepLearning/PyTorch_Lib/gflags-2.1.2-build/include:$C_INCLUDE_PATH
export CPLUS_INCLUDE_PATH=/public/software/apps/DeepLearning/PyTorch_Lib/gflags-2.1.2-build/include:$CPLUS_INCLUDE_PATH
export C_INCLUDE_PATH=/public/software/apps/DeepLearning/PyTorch_Lib/glog-build/include:$C_INCLUDE_PATH
export CPLUS_INCLUDE_PATH=/public/software/apps/DeepLearning/PyTorch_Lib/glog-build/include:$CPLUS_INCLUDE_PATH
export C_INCLUDE_PATH=$ROCM_PATH/rocrand/include:$C_INCLUDE_PATH
export CPLUS_INCLUDE_PATH=$ROCM_PATH/rocrand/include:$CPLUS_INCLUDE_PATH
export LD_LIBRARY_PATH=$ROCM_PATH/rocrand/lib:$LD_LIBRARY_PATH
export FORCE_ONLY_HIP=1
export CC=hipcc
export CXX=hipcc
When running in a docker container without NVIDIA driver, PyTorch needs to evaluate the compute capabilities and may fail. python setup.py install
In this case, ensure that the compute capabilities are set via `TORCH_CUDA_ARCH_LIST`, *e.g.*:
```
export TORCH_CUDA_ARCH_LIST = "6.0 6.1 7.2+PTX 7.5+PTX"
``` ```
#### 注意事项
+ 若使用pip install下载安装过慢，可添加pypi清华源：-i https://pypi.tuna.tsinghua.edu.cn/simple/
+ ROCM_PATH为dtk的路径，默认为/opt/dtk
## Functions ## 验证
### Graclus
A greedy clustering algorithm of picking an unmarked vertex and matching it with one its unmarked neighbors (that maximizes its edge weight).
The GPU algorithm is adapted from Fagginger Auer and Bisseling: [A GPU Algorithm for Greedy Graph Matching](http://www.staff.science.uu.nl/~bisse101/Articles/match12.pdf) (LNCS 2012)
```python ```python
import torch import torch
...@@ -133,161 +62,10 @@ print(cluster) ...@@ -133,161 +62,10 @@ print(cluster)
tensor([0, 0, 1]) tensor([0, 0, 1])
``` ```
### VoxelGrid ## Known Issue
- 该库没有基于cpu环境修改，仅支持dcu，请在有dcu卡的环境运行。
A clustering algorithm, which overlays a regular grid of user-defined size over a point cloud and clusters all points within a voxel. - 如需完整使用所有pyg功能，请pip install torch-geometric
```python
import torch
from torch_cluster import grid_cluster
pos = torch.tensor([[0., 0.], [11., 9.], [2., 8.], [2., 2.], [8., 3.]])
size = torch.Tensor([5, 5])
cluster = grid_cluster(pos, size)
```
```
print(cluster)
tensor([0, 5, 3, 0, 1])
```
### FarthestPointSampling
A sampling algorithm, which iteratively samples the most distant point with regard to the rest points.
```python ## 参考资料
import torch - [README_ORIGIN](README_ORIGIN.md)
from torch_cluster import fps - [https://pypi.org/project/torch-cluster/1.6.0/](https://pypi.org/project/torch-cluster/1.6.0/)
x = torch.tensor([[-1., -1.], [-1., 1.], [1., -1.], [1., 1.]])
batch = torch.tensor([0, 0, 0, 0])
index = fps(x, batch, ratio=0.5, random_start=False)
```
```
print(index)
tensor([0, 3])
```
### kNN-Graph
Computes graph edges to the nearest *k* points.
**Args:**
* **x** *(Tensor)*: Node feature matrix of shape `[N, F]`.
* **k** *(int)*: The number of neighbors.
* **batch** *(LongTensor, optional)*: Batch vector of shape `[N]`, which assigns each node to a specific example. `batch` needs to be sorted. (default: `None`)
* **loop** *(bool, optional)*: If `True`, the graph will contain self-loops. (default: `False`)
* **flow** *(string, optional)*: The flow direction when using in combination with message passing (`"source_to_target"` or `"target_to_source"`). (default: `"source_to_target"`)
* **cosine** *(boolean, optional)*: If `True`, will use the Cosine distance instead of Euclidean distance to find nearest neighbors. (default: `False`)
* **num_workers** *(int)*: Number of workers to use for computation. Has no effect in case `batch` is not `None`, or the input lies on the GPU. (default: `1`)
```python
import torch
from torch_cluster import knn_graph
x = torch.tensor([[-1., -1.], [-1., 1.], [1., -1.], [1., 1.]])
batch = torch.tensor([0, 0, 0, 0])
edge_index = knn_graph(x, k=2, batch=batch, loop=False)
```
```
print(edge_index)
tensor([[1, 2, 0, 3, 0, 3, 1, 2],
[0, 0, 1, 1, 2, 2, 3, 3]])
```
### Radius-Graph
Computes graph edges to all points within a given distance.
**Args:**
* **x** *(Tensor)*: Node feature matrix of shape `[N, F]`.
* **r** *(float)*: The radius.
* **batch** *(LongTensor, optional)*: Batch vector of shape `[N]`, which assigns each node to a specific example. `batch` needs to be sorted. (default: `None`)
* **loop** *(bool, optional)*: If `True`, the graph will contain self-loops. (default: `False`)
* **max_num_neighbors** *(int, optional)*: The maximum number of neighbors to return for each element. If the number of actual neighbors is greater than `max_num_neighbors`, returned neighbors are picked randomly. (default: `32`)
* **flow** *(string, optional)*: The flow direction when using in combination with message passing (`"source_to_target"` or `"target_to_source"`). (default: `"source_to_target"`)
* **num_workers** *(int)*: Number of workers to use for computation. Has no effect in case `batch` is not `None`, or the input lies on the GPU. (default: `1`)
```python
import torch
from torch_cluster import radius_graph
x = torch.tensor([[-1., -1.], [-1., 1.], [1., -1.], [1., 1.]])
batch = torch.tensor([0, 0, 0, 0])
edge_index = radius_graph(x, r=2.5, batch=batch, loop=False)
```
```
print(edge_index)
tensor([[1, 2, 0, 3, 0, 3, 1, 2],
[0, 0, 1, 1, 2, 2, 3, 3]])
```
### Nearest
Clusters points in *x* together which are nearest to a given query point in *y*.
`batch_{x,y}` vectors need to be sorted.
```python
import torch
from torch_cluster import nearest
x = torch.Tensor([[-1, -1], [-1, 1], [1, -1], [1, 1]])
batch_x = torch.tensor([0, 0, 0, 0])
y = torch.Tensor([[-1, 0], [1, 0]])
batch_y = torch.tensor([0, 0])
cluster = nearest(x, y, batch_x, batch_y)
```
```
print(cluster)
tensor([0, 0, 1, 1])
```
### RandomWalk-Sampling
Samples random walks of length `walk_length` from all node indices in `start` in the graph given by `(row, col)`.
```python
import torch
from torch_cluster import random_walk
row = torch.tensor([0, 1, 1, 1, 2, 2, 3, 3, 4, 4])
col = torch.tensor([1, 0, 2, 3, 1, 4, 1, 4, 2, 3])
start = torch.tensor([0, 1, 2, 3, 4])
walk = random_walk(row, col, start, walk_length=3)
```
```
print(walk)
tensor([[0, 1, 2, 4],
[1, 3, 4, 2],
[2, 4, 2, 1],
[3, 4, 2, 4],
[4, 3, 1, 0]])
```
## Running tests
```
pytest
```
## C++ API
`torch-cluster` also offers a C++ API that contains C++ equivalent of python models.
```
mkdir build
cd build
# Add -DWITH_CUDA=on support for the CUDA if needed
cmake ..
make
make install
```
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**编译安装步骤**
- 1. 安装与dtk版本对应的pytorch torchvision whl（可在光合社区下载https://developer.hpccube.com/tool/）以及其他依赖库
例如：
pip install https://cancon.hpccube.com:65024/directlink/4/pytorch/dtk22.10/torch-1.10.0a0+git2040069.dtk2210-cp38-cp38-manylinux2014_x86_64.whl
pip install https://cancon.hpccube.com:65024/directlink/4/vision/dtk22.10/torchvision-0.10.0a0+e04d001.dtk2210-cp38-cp38-manylinux2014_x86_64.whl
pip install -r requirements.txt
- 2. 添加编译时的conda环境及部分库的环境变量
- 2.1 激活对应的conda环境：
source ~/miniconda3/etc/profile.d/conda.sh
conda activate torch1.10_py39_dtk22.10
- 2.2 加载对应的module，包括dtk：
module purge
module load compiler/devtoolset/7.3.1 mpi/hpcx/gcc-7.3.1 compiler/dtk/22.10.1
module list
- 2.3 加载所需的依赖库的环境变量（根据各集群实际路径调整）：
export C_INCLUDE_PATH=/public/software/apps/DeepLearning/PyTorch_Lib/gflags-2.1.2-build/include:$C_INCLUDE_PATH
export CPLUS_INCLUDE_PATH=/public/software/apps/DeepLearning/PyTorch_Lib/gflags-2.1.2-build/include:$CPLUS_INCLUDE_PATH
export C_INCLUDE_PATH=/public/software/apps/DeepLearning/PyTorch_Lib/glog-build/include:$C_INCLUDE_PATH
export CPLUS_INCLUDE_PATH=/public/software/apps/DeepLearning/PyTorch_Lib/glog-build/include:$CPLUS_INCLUDE_PATH
export C_INCLUDE_PATH=$ROCM_PATH/rocrand/include:$C_INCLUDE_PATH
export CPLUS_INCLUDE_PATH=$ROCM_PATH/rocrand/include:$CPLUS_INCLUDE_PATH
export LD_LIBRARY_PATH=$ROCM_PATH/rocrand/lib:$LD_LIBRARY_PATH
- 2.4 修改编译器环境变量：
export FORCE_ONLY_HIP=1
export CC=hipcc
export CXX=hipcc
- 3. 编译安装
python setup.py install
README_ORIGIN.md 0 → 100644
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[pypi-image]: https://badge.fury.io/py/torch-cluster.svg
[pypi-url]: https://pypi.python.org/pypi/torch-cluster
[testing-image]: https://github.com/rusty1s/pytorch_cluster/actions/workflows/testing.yml/badge.svg
[testing-url]: https://github.com/rusty1s/pytorch_cluster/actions/workflows/testing.yml
[linting-image]: https://github.com/rusty1s/pytorch_cluster/actions/workflows/linting.yml/badge.svg
[linting-url]: https://github.com/rusty1s/pytorch_cluster/actions/workflows/linting.yml
[coverage-image]: https://codecov.io/gh/rusty1s/pytorch_cluster/branch/master/graph/badge.svg
[coverage-url]: https://codecov.io/github/rusty1s/pytorch_cluster?branch=master
# PyTorch Cluster
[![PyPI Version][pypi-image]][pypi-url]
[![Testing Status][testing-image]][testing-url]
[![Linting Status][linting-image]][linting-url]
[![Code Coverage][coverage-image]][coverage-url]
--------------------------------------------------------------------------------
This package consists of a small extension library of highly optimized graph cluster algorithms for the use in [PyTorch](http://pytorch.org/).
The package consists of the following clustering algorithms:
* **[Graclus](#graclus)** from Dhillon *et al.*: [Weighted Graph Cuts without Eigenvectors: A Multilevel Approach](http://www.cs.utexas.edu/users/inderjit/public_papers/multilevel_pami.pdf) (PAMI 2007)
* **[Voxel Grid Pooling](#voxelgrid)** from, *e.g.*, Simonovsky and Komodakis: [Dynamic Edge-Conditioned Filters in Convolutional Neural Networks on Graphs](https://arxiv.org/abs/1704.02901) (CVPR 2017)
* **[Iterative Farthest Point Sampling](#farthestpointsampling)** from, *e.g.* Qi *et al.*: [PointNet++: Deep Hierarchical Feature Learning on Point Sets in a Metric Space](https://arxiv.org/abs/1706.02413) (NIPS 2017)
* **[k-NN](#knn-graph)** and **[Radius](#radius-graph)** graph generation
* Clustering based on **[Nearest](#nearest)** points
* **[Random Walk Sampling](#randomwalk-sampling)** from, *e.g.*, Grover and Leskovec: [node2vec: Scalable Feature Learning for Networks](https://arxiv.org/abs/1607.00653) (KDD 2016)
All included operations work on varying data types and are implemented both for CPU and GPU.
## Installation
### Anaconda
**Update:** You can now install `pytorch-cluster` via [Anaconda](https://anaconda.org/pyg/pytorch-cluster) for all major OS/PyTorch/CUDA combinations 🤗
Given that you have [`pytorch >= 1.8.0` installed](https://pytorch.org/get-started/locally/), simply run
```
conda install pytorch-cluster -c pyg
```
### Binaries
We alternatively provide pip wheels for all major OS/PyTorch/CUDA combinations, see [here](https://data.pyg.org/whl).
#### PyTorch 1.11
To install the binaries for PyTorch 1.11.0, simply run
```
pip install torch-cluster -f https://data.pyg.org/whl/torch-1.11.0+${CUDA}.html
```
where `${CUDA}` should be replaced by either `cpu`, `cu102`, `cu113`, or `cu115` depending on your PyTorch installation.
| | `cpu` | `cu102` | `cu113` | `cu115` |
|-------------|-------|---------|---------|---------|
| **Linux** | ✅ | ✅ | ✅ | ✅ |
| **Windows** | ✅ | | ✅ | ✅ |
| **macOS** | ✅ | | | |
#### PyTorch 1.10
To install the binaries for PyTorch 1.10.0, PyTorch 1.10.1 and PyTorch 1.10.2, simply run
```
pip install torch-cluster -f https://data.pyg.org/whl/torch-1.10.0+${CUDA}.html
```
where `${CUDA}` should be replaced by either `cpu`, `cu102`, `cu111`, or `cu113` depending on your PyTorch installation.
| | `cpu` | `cu102` | `cu111` | `cu113` |
|-------------|-------|---------|---------|---------|
| **Linux** | ✅ | ✅ | ✅ | ✅ |
| **Windows** | ✅ | ✅ | ✅ | ✅ |
| **macOS** | ✅ | | | |
**Note:** Binaries of older versions are also provided for PyTorch 1.4.0, PyTorch 1.5.0, PyTorch 1.6.0, PyTorch 1.7.0/1.7.1, PyTorch 1.8.0/1.8.1 and PyTorch 1.9.0 (following the same procedure).
For older versions, you might need to explicitly specify the latest supported version number in order to prevent a manual installation from source.
You can look up the latest supported version number [here](https://data.pyg.org/whl).
### From source
Ensure that at least PyTorch 1.4.0 is installed and verify that `cuda/bin` and `cuda/include` are in your `$PATH` and `$CPATH` respectively, *e.g.*:
```
$ python -c "import torch; print(torch.__version__)"
>>> 1.4.0
$ python -c "import torch; print(torch.__version__)"
>>> 1.1.0
$ echo $PATH
>>> /usr/local/cuda/bin:...
$ echo $CPATH
>>> /usr/local/cuda/include:...
```
Then run:
```
pip install torch-cluster
```
When running in a docker container without NVIDIA driver, PyTorch needs to evaluate the compute capabilities and may fail.
In this case, ensure that the compute capabilities are set via `TORCH_CUDA_ARCH_LIST`, *e.g.*:
```
export TORCH_CUDA_ARCH_LIST = "6.0 6.1 7.2+PTX 7.5+PTX"
```
## Functions
### Graclus
A greedy clustering algorithm of picking an unmarked vertex and matching it with one its unmarked neighbors (that maximizes its edge weight).
The GPU algorithm is adapted from Fagginger Auer and Bisseling: [A GPU Algorithm for Greedy Graph Matching](http://www.staff.science.uu.nl/~bisse101/Articles/match12.pdf) (LNCS 2012)
```python
import torch
from torch_cluster import graclus_cluster
row = torch.tensor([0, 1, 1, 2])
col = torch.tensor([1, 0, 2, 1])
weight = torch.tensor([1., 1., 1., 1.]) # Optional edge weights.
cluster = graclus_cluster(row, col, weight)
```
```
print(cluster)
tensor([0, 0, 1])
```
### VoxelGrid
A clustering algorithm, which overlays a regular grid of user-defined size over a point cloud and clusters all points within a voxel.
```python
import torch
from torch_cluster import grid_cluster
pos = torch.tensor([[0., 0.], [11., 9.], [2., 8.], [2., 2.], [8., 3.]])
size = torch.Tensor([5, 5])
cluster = grid_cluster(pos, size)
```
```
print(cluster)
tensor([0, 5, 3, 0, 1])
```
### FarthestPointSampling
A sampling algorithm, which iteratively samples the most distant point with regard to the rest points.
```python
import torch
from torch_cluster import fps
x = torch.tensor([[-1., -1.], [-1., 1.], [1., -1.], [1., 1.]])
batch = torch.tensor([0, 0, 0, 0])
index = fps(x, batch, ratio=0.5, random_start=False)
```
```
print(index)
tensor([0, 3])
```
### kNN-Graph
Computes graph edges to the nearest *k* points.
**Args:**
* **x** *(Tensor)*: Node feature matrix of shape `[N, F]`.
* **k** *(int)*: The number of neighbors.
* **batch** *(LongTensor, optional)*: Batch vector of shape `[N]`, which assigns each node to a specific example. `batch` needs to be sorted. (default: `None`)
* **loop** *(bool, optional)*: If `True`, the graph will contain self-loops. (default: `False`)
* **flow** *(string, optional)*: The flow direction when using in combination with message passing (`"source_to_target"` or `"target_to_source"`). (default: `"source_to_target"`)
* **cosine** *(boolean, optional)*: If `True`, will use the Cosine distance instead of Euclidean distance to find nearest neighbors. (default: `False`)
* **num_workers** *(int)*: Number of workers to use for computation. Has no effect in case `batch` is not `None`, or the input lies on the GPU. (default: `1`)
```python
import torch
from torch_cluster import knn_graph
x = torch.tensor([[-1., -1.], [-1., 1.], [1., -1.], [1., 1.]])
batch = torch.tensor([0, 0, 0, 0])
edge_index = knn_graph(x, k=2, batch=batch, loop=False)
```
```
print(edge_index)
tensor([[1, 2, 0, 3, 0, 3, 1, 2],
[0, 0, 1, 1, 2, 2, 3, 3]])
```
### Radius-Graph
Computes graph edges to all points within a given distance.
**Args:**
* **x** *(Tensor)*: Node feature matrix of shape `[N, F]`.
* **r** *(float)*: The radius.
* **batch** *(LongTensor, optional)*: Batch vector of shape `[N]`, which assigns each node to a specific example. `batch` needs to be sorted. (default: `None`)
* **loop** *(bool, optional)*: If `True`, the graph will contain self-loops. (default: `False`)
* **max_num_neighbors** *(int, optional)*: The maximum number of neighbors to return for each element. If the number of actual neighbors is greater than `max_num_neighbors`, returned neighbors are picked randomly. (default: `32`)
* **flow** *(string, optional)*: The flow direction when using in combination with message passing (`"source_to_target"` or `"target_to_source"`). (default: `"source_to_target"`)
* **num_workers** *(int)*: Number of workers to use for computation. Has no effect in case `batch` is not `None`, or the input lies on the GPU. (default: `1`)
```python
import torch
from torch_cluster import radius_graph
x = torch.tensor([[-1., -1.], [-1., 1.], [1., -1.], [1., 1.]])
batch = torch.tensor([0, 0, 0, 0])
edge_index = radius_graph(x, r=2.5, batch=batch, loop=False)
```
```
print(edge_index)
tensor([[1, 2, 0, 3, 0, 3, 1, 2],
[0, 0, 1, 1, 2, 2, 3, 3]])
```
### Nearest
Clusters points in *x* together which are nearest to a given query point in *y*.
`batch_{x,y}` vectors need to be sorted.
```python
import torch
from torch_cluster import nearest
x = torch.Tensor([[-1, -1], [-1, 1], [1, -1], [1, 1]])
batch_x = torch.tensor([0, 0, 0, 0])
y = torch.Tensor([[-1, 0], [1, 0]])
batch_y = torch.tensor([0, 0])
cluster = nearest(x, y, batch_x, batch_y)
```
```
print(cluster)
tensor([0, 0, 1, 1])
```
### RandomWalk-Sampling
Samples random walks of length `walk_length` from all node indices in `start` in the graph given by `(row, col)`.
```python
import torch
from torch_cluster import random_walk
row = torch.tensor([0, 1, 1, 1, 2, 2, 3, 3, 4, 4])
col = torch.tensor([1, 0, 2, 3, 1, 4, 1, 4, 2, 3])
start = torch.tensor([0, 1, 2, 3, 4])
walk = random_walk(row, col, start, walk_length=3)
```
```
print(walk)
tensor([[0, 1, 2, 4],
[1, 3, 4, 2],
[2, 4, 2, 1],
[3, 4, 2, 4],
[4, 3, 1, 0]])
```
## Running tests
```
pytest
```
## C++ API
`torch-cluster` also offers a C++ API that contains C++ equivalent of python models.
```
mkdir build
cd build
# Add -DWITH_CUDA=on support for the CUDA if needed
cmake ..
make
make install
```
env.sh-22.10 deleted 100644 → 0
View file @ 8ced8e9a
#!/bin/bash
source ~/miniconda3/etc/profile.d/conda.sh
conda activate torch1.10_py39_dtk22.10
module purge
module load compiler/devtoolset/7.3.1 mpi/hpcx/gcc-7.3.1 #compiler/dtk/22.10.1
module list
source ~/dtk-22.10.1/env.sh
export C_INCLUDE_PATH=/public/software/apps/DeepLearning/PyTorch_Lib/gflags-2.1.2-build/include:$C_INCLUDE_PATH
export CPLUS_INCLUDE_PATH=/public/software/apps/DeepLearning/PyTorch_Lib/gflags-2.1.2-build/include:$CPLUS_INCLUDE_PATH
export C_INCLUDE_PATH=/public/software/apps/DeepLearning/PyTorch_Lib/glog-build/include:$C_INCLUDE_PATH
export CPLUS_INCLUDE_PATH=/public/software/apps/DeepLearning/PyTorch_Lib/glog-build/include:$CPLUS_INCLUDE_PATH
export C_INCLUDE_PATH=$ROCM_PATH/rocrand/include:$C_INCLUDE_PATH
export CPLUS_INCLUDE_PATH=$ROCM_PATH/rocrand/include:$CPLUS_INCLUDE_PATH
export LD_LIBRARY_PATH=$ROCM_PATH/rocrand/lib:$LD_LIBRARY_PATH
export FORCE_ONLY_HIP=1
export CC=hipcc
export CXX=hipcc
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