Random Walk Graph Neural Networks

Overview

Random Walk Graph Neural Networks

This repository is the official implementation of Random Walk Graph Neural Networks.

Requirements

Code is written in Python 3.6 and requires:

  • PyTorch 1.5
  • scikit-learn 0.21

Datasets

Use the following link to download datasets:

https://ls11-www.cs.tu-dortmund.de/staff/morris/graphkerneldatasets

Extract the datasets into the datasets folder.

Training and Evaluation

To train and evaluate the model in the paper, run this command:

python main.py --dataset <dataset_name> 

Example

To train and evaluate the model on MUTAG, first specify the hyperparameters in the main.py file and then run:

python main.py --dataset MUTAG --use-node-labels

Results

Our model achieves the following performance on standard graph classification datasets (note that we used the evaluation procedure and same data splits as in this paper):

Model name MUTAG D&D NCI1 PROTEINS ENZYMES
SP 80.2 (± 6.5) 78.1 (± 4.1) 72.7 (± 1.4) 75.3 (± 3.8) 38.3 (± 8.0)
GR 80.8 (± 6.4) 75.4 (± 3.4) 61.8 (± 1.7) 71.6 (± 3.1) 25.1 (± 4.4)
WL 84.6 (± 8.3) 78.1 (± 2.4) 84.8 (± 2.5) 73.8 (± 4.4) 50.3 (± 5.7)
DGCNN 84.0 (± 6.7) 76.6 (± 4.3) 76.4 (± 1.7) 72.9 (± 3.5) 38.9 (± 5.7)
DiffPool 79.8 (± 7.1) 75.0 (± 3.5) 76.9 (± 1.9) 73.7 (± 3.5) 59.5 (± 5.6)
ECC 75.4 (± 6.2) 72.6 (± 4.1) 76.2 (± 1.4) 72.3 (± 3.4) 29.5 (± 8.2)
GIN 84.7 (± 6.7) 75.3 (± 2.9) 80.0 (± 1.4) 73.3 (± 4.0) 59.6 (± 4.5)
GraphSAGE 83.6 (± 9.6) 72.9 (± 2.0) 76.0 (± 1.8) 73.0 (± 4.5) 58.2 (± 6.0)
1-step RWNN 89.2 (± 4.3) 77.6 (± 4.7) 71.4 (± 1.8) 74.7 (± 3.3) 56.7 (± 5.2)
2-step RWNN 88.1 (± 4.8) 76.9 (± 4.6) 73.0 (± 2.0) 74.1 (± 2.8) 57.4 (± 4.9)
3-step RWNN 88.6 (± 4.1) 77.4 (± 4.9) 73.9 (± 1.3) 74.3 (± 3.3) 57.6 (± 6.3)
Model name IMDB-BINARY IMDB-MULTI REDDIT-BINARY REDDIT-MULTI-5K COLLAB
SP 57.7 (± 4.1) 39.8 (± 3.7) 89.0 (± 1.0) 51.1 (± 2.2) 79.9 (± 2.7)
GR 63.3 (± 2.7) 39.6 (± 3.0) 76.6 (± 3.3) 38.1 (± 2.3) 71.1 (± 1.4)
WL 72.8 (± 4.5) 51.2 (± 6.5) 74.9 (± 1.8) 49.6 (± 2.0) 78.0 (± 2.0)
DGCNN 69.2 (± 3.0) 45.6 (± 3.4) 87.8 (± 2.5) 49.2 (± 1.2) 71.2 (± 1.9)
DiffPool 68.4 (± 3.3) 45.6 (± 3.4) 89.1 (± 1.6) 53.8 (± 1.4) 68.9 (± 2.0)
ECC 67.7 (± 2.8) 43.5 (± 3.1) OOR OOR OOR
GIN 71.2 (± 3.9) 48.5 (± 3.3) 89.9 (± 1.9) 56.1 (± 1.7) 75.6 (± 2.3)
GraphSAGE 68.8 (± 4.5) 47.6 (± 3.5) 84.3 (± 1.9) 50.0 (± 1.3) 73.9 (± 1.7)
1-step RWNN 70.8 (± 4.8) 47.8 (± 3.8) 90.4 (± 1.9) 51.7 (± 1.5) 71.7 (± 2.1)
2-step RWNN 70.6 (± 4.4) 48.8 (± 2.9) 90.3 (± 1.8) 51.7 (± 1.4) 71.3 (± 2.1)
3-step RWNN 70.7 (± 3.9) 47.8 (± 3.5) 89.7 (± 1.2) 53.4 (± 1.6) 71.9 (± 2.5)

Cite

Please cite our paper if you use this code:

@inproceedings{nikolentzos2020random,
  title={Random Walk Graph Neural Networks},
  author={Nikolentzos, Giannis and Vazirgiannis, Michalis},
  booktitle={Proceedings of the 34th Conference on Neural Information Processing Systems},
  pages={16211--16222},
  year={2020}
}
Owner
Giannis Nikolentzos
Giannis Nikolentzos
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