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Reproducible Research --- Improving Subgraph-GNNs via Edge-Level Ego-Network Encodings

This document describes how to reproduce the results for our paper "Improving Subgraph-GNNs via Edge-Level Ego-Network Encodings". We provide the following supplementary materials including code and instructions.

Reproducibility

All reproducibility work is performed under ./ELENE/. To reproduce our results:

  1. Set up the Conda environment. Follow the installation script ./ELENE/setup.sh.
  • The script must be executed line by line.
  • You must ensure that the Conda environment is created and activated.
  • Upon installation, you should have Pytorch Geometric and all required dependencies installed.
  1. Execute the reproducibility scripts.
  • The Expressivity benchmark is captured by expressivityDatasets.sh (Corresponds to Table 1).
  • The Real World Graphs benchmark is captured by benchmarkDatasets.sh (Corr. to Tables 2 and 3).
  • The h-Proximity benchmark is captured by proximityResults.sh (Corr. to Table 4.).
  • We also include a TUGINDatasets.sh to collect results on TU datasets with splits from the GIN paper.
    • We assume our scripts are run in an environment with NVIDIA GPUs with the nvidia-smi command.
    • If this is not the case, you may modify the runCommandOnGPUMemThreshold.sh to manage resources according to your compute / processing capabilities.
  1. Hyper-parameters and configuration are all defined in the benchmarking scripts or under ./train/configs/*.yaml
  • Except for the h-Proximity and 3WL Pair (4x4 Rook and Shrikhande) datasets, which were not included in the GNN-AK benchmark, all configurations match the original.
  1. Data analysis can be performed ad-hoc using Tensorboard.
  • Execute: tensorboard serve --logdir results/ --port 7000 to get Tensorboard up and running.
  • To collect the results that we used in the paper, we provide process_results.py to collect and aggregate Tensorboard logs.
    • Results will be written to ./tables/ as a series of .csv Pandas dataframes for ease analysis and reporting.