Learning Graph Representation via Graph Entropy Maximization (GeMax)

This is the code repository for [Paper]: "Learning Graph Representation via Graph Entropy Maximization (ICML 2024)". GeMax is an approximation method leveraging orthonormal representation for graph representation learning by maximizing graph entropy.

Installation

1. Clone the repository:

git clone https://github.com/MathAdventurer/GeMax.git
cd GeMax

2. Create a new conda environment using the provided environment.yaml file:

conda env create -f environment.yaml
conda activate gemax

Note: GeMax requires NVIDIA CUDA (version >= 11.3) and NVIDIA GPUs. The project depends on PyTorch, Deep Graph Library (DGL), NetworkX, and scikit-learn libraries, etc. For more information, see the environment.yaml file.

Usage

To train and evaluate a model using GeMax, run the following command:

python main.py --config configs/gemax_infograph_mutag-example.yaml

The config.yaml configuration file contains the following settings:

• dataset: The name of the dataset to use for training (e.g., MUTAG).
• mode: The mode of the script, either "train" or "evaluate".
• model: The type of graph neural network to use (e.g., infograph, gin).
• batch_size: The batch size for training.
• hidden_dim: The dimension of the hidden layers in the model.
• out_dim: The dimension of the output embeddings.
• lr and lr_A: The learning rate for the optimizer.
• num_epochs: The number of training epochs.
• eval_every: The frequency of evaluation during training (in epochs).
• mu: The regularization coefficient for the orthogonal loss.
• gamma: The regularization coefficient for the sub-vertex packing loss.
• seed: The random seed for reproducibility.

To evaluate a trained model, run:

python main.py --config configs/gemax_infograph_mutag-example.yaml --mode evaluate --model_path path/to/trained/model.pth

Project Structure

GeMax/
    ├── data/
    │   ├── MUTAG/
    │   ├── PROTEINS/
    │   ├── DD/
    │   ├── NCI1/
    │   ├── COLLAB/
    │   ├── IMDB-B/
    │   ├── REDDIT-B/
    │   └── ...
    ├── configs/
    │   └── ...
    ├── models/
    │   ├── __init__.py
    │   ├── gemax.py
    │   ├── gin.py
    │   ├── infograph.py
    │   └── ...
    ├── utils/
    │   ├── __init__.py
    │   ├── data_processing.py
    │   ├── evaluation.py
    │   └── utils.py
    ├── figures/
    │   └── ...
    ├── main.py
    ├── experiment.py
    ├── evaluate.py
    ├── environment.yaml
    ├── README.md
    └── LICENSE

Citation

If you find this work useful, please cite our paper:

@InProceedings{pmlr-v235-sun24i,
  title = 	 {Learning Graph Representation via Graph Entropy Maximization},
  author =       {Sun, Ziheng and Wang, Xudong and Ding, Chris and Fan, Jicong},
  booktitle = 	 {Proceedings of the 41st International Conference on Machine Learning},
  pages = 	 {47133--47158},
  year = 	 {2024},
  editor = 	 {Salakhutdinov, Ruslan and Kolter, Zico and Heller, Katherine and Weller, Adrian and Oliver, Nuria and Scarlett, Jonathan and Berkenkamp, Felix},
  volume = 	 {235},
  series = 	 {Proceedings of Machine Learning Research},
  month = 	 {21--27 Jul},
  publisher =    {PMLR},
  pdf = 	 {https://raw.githubusercontent.com/mlresearch/v235/main/assets/sun24i/sun24i.pdf},
  url = 	 {https://proceedings.mlr.press/v235/sun24i.html}
}

License

This project is licensed under the MIT License. See the LICENSE file for more information.