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PyTorch Cluster

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This package consists of a small extension library of highly optimized graph cluster algorithms for the use in PyTorch. The package consists of the following clustering algorithms:

All included operations work on varying data types and are implemented both for CPU and GPU.

Installation

Ensure that at least PyTorch 1.0.0 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__)"
>>> 1.0.0

$ echo $PATH
>>> /usr/local/cuda/bin:...

$ echo $CPATH
>>> /usr/local/cuda/include:...

Then run:

pip install torch-cluster

If you are running into any installation problems, please create an issue. Be sure to import torch first before using this package to resolve symbols the dynamic linker must see.

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 (LNCS 2012)

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.

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.

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(sample)
tensor([0, 3])

kNN-Graph

Computes graph edges to the nearest k points.

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([[0, 0, 1, 1, 2, 2, 3, 3],
        [1, 2, 0, 3, 0, 3, 1, 2]])

Radius-Graph

Computes graph edges to all points within a given distance.

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=1.5, batch=batch, loop=False)
print(edge_index)
tensor([[0, 0, 1, 1, 2, 2, 3, 3],
        [1, 2, 0, 2, 0, 3, 1, 2]])

Nearest

Clusters points in x together which are nearest to a given query point in y.

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])

Running tests

python setup.py test