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Source code for GNN-LSPE (Graph Neural Networks with Learnable Structural and Positional Representations), ICLR 2022

Home Page: http://arxiv.org/abs/2110.07875

License: MIT License

Python 87.95% Shell 5.20% Jupyter Notebook 6.85%
graph-neural-networks transformers graph-transformer positional-encoding graph-deep-learning transformer-networks attention graphs molecules gnn-lspe

gnn-lspe's Introduction

Graph Neural Networks with
Learnable Structural and Positional Representations


Source code for the paper "Graph Neural Networks with Learnable Structural and Positional Representations" by Vijay Prakash Dwivedi, Anh Tuan Luu, Thomas Laurent, Yoshua Bengio and Xavier Bresson, at the Tenth International Conference on Learning Representations (ICLR) 2022.

We propose a novel GNN architecture in which the structural and positional representations are decoupled, and are learnt separately to learn these two essential properties. The architecture, named MPGNNs-LSPE (MPGNNs with Learnable Structural and Positional Encodings), is generic that it can be applied to any GNN model of interest which fits into the popular 'message-passing framework', including Transformers.

MPGNNs-LSPE


1. Repo installation

Follow these instructions to install the repo and setup the environment.


2. Download datasets

Proceed as follows to download the benchmark datasets.


3. Reproducibility

Use this page to run the codes and reproduce the published results.


4. Reference

๐Ÿ“ƒ Paper on arXiv
๐ŸŽฅ Video by @vijaydwivedi75 on YouTube
๐ŸŽฅ Video by @xbresson on YouTube

@inproceedings{dwivedi2022graph,
  title={Graph Neural Networks with Learnable Structural and Positional Representations},
  author={Vijay Prakash Dwivedi and Anh Tuan Luu and Thomas Laurent and Yoshua Bengio and Xavier Bresson},
  booktitle={International Conference on Learning Representations},
  year={2022},
  url={https://openreview.net/forum?id=wTTjnvGphYj}
}




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gnn-lspe's Issues

Faced Issue while reproducing the results

I got the following error after following the step 1 and step 2 for the installation.
ImportError: dlopen(/Users/abhishekgadekar/opt/anaconda3/envs/gnn_lspe/lib/python3.7/lib-dynload/_ctypes.cpython-37m-darwin.so, 0x0002): Library not loaded: @rpath/libffi.6.dylib
This error occured when I ran the following command:

Run the main file (at the root of the project)

python main_ZINC_graph_regression.py --config 'configs/GatedGCN_ZINC_LSPE.json' # for CPU
python main_ZINC_graph_regression.py --gpu_id 0 --config 'configs/GatedGCN_ZINC_LSPE.json' # for GPU

It would be really helpful if you could provide a fix for this issue. I also checked by installing libffi by using pip, but that also couldn't solve the issue.

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