A New Perspective on the Effects of Spectrum in Graph Neural Networks

This is the code of the paper "A New Perspective on the Effects of Spectrum in Graph Neural Networks".

Requirements

The code is built upon Deep Graph Library.

The following packages need to be installed:

• pytorch==1.8.0
• dgl==0.7.0
• torch-geometric==1.7.1
• ogb==1.3.1
• numpy
• easydict
• tensorboard
• tqdm
• json5

Usage

ZINC

• Change directory to zinc.
• Set hyper-parameters in ZINC.json.
• Run the script: sh run_script.sh

OGBG-MolPCBA

• Change directory to ogbg/mol.
• Set hyper-parameters in ogbg-molpcba.json.
• Run the script: sh run_script.sh

TUDataset

• Change directory to tu.
• Set dataset name in run_script.sh and set hyper-parameters in configs/<dataset>.json.
• Run the script: sh run_script.sh

Reference

@inproceedings{yang2022spectrum,
  title = {A New Perspective on the Effects of Spectrum in Graph Neural Networks},
  author = {Mingqi Yang and Yanming Shen and Rui Li and Heng Qi and Qiang Zhang and Baocai Yin},
  booktitle = {Proceedings of the 39th International Conference on Machine Learning},
  year = {2022},
}

License

MIT License