This repository contains the code for the untitled research project on virtual nodes in GNNs, by Sepand Dyanatkar and Jamie Weigold.
Setup and usage
git clone [email protected]:DSep/virtual-nodes.git
cd virtual-nodes
git submodule update --init --recursive
pip install -r requirements.txt
pip install -e Heterophily_and_oversmoothing
pip install -e understanding_oversquashing
pip install -e .
To avoid dependency conflicts, it is highly recommended that our code is run in a fresh conda/miniconda environment which can be easily configured (if running mac OSX) by executing the following in a terminal:
conda create -n virtual_nodes python=3.9
conda activate virtual_nodes
conda install pytorch torchvision -c pytorch
conda install pyg -c pyg
conda install -c dglteam dgl
Start in the root directory of the repository
sh virtual_nodes/experiments/method1.shOr on the server:
nohup bash virtual_nodes/experiments/method1.sh > TIME_DAY_03_2023_method1.log 2> nohup.err < /dev/null &TODOS:
- Add setup.py files for top level and submodules to make easy referencing from anywhere (aka Heterophily and curvature folders)
- Setup proper testing in home directory and move tests to this folder