README.txt

Prerequisites: torch, torch-geometric

Example commands to run a single model configuration, python main.py --data=PROTEINS --lr=0.1

python main.py --data=DHFR --use_node_attr --ignore_node_labels

python main.py --data=COLLAB --aggregation=Mean --lr=0.001

To run a number of configurations, to use for model selection later, set the required configurations in config.txt and run: python main.py --use_config

Once the pickle file is generated for outputs of all configurations, use model selection to select models. If you use "--aggergation=both", make sure that both files GIN_MMD_.pkl and GIN_Mean_.pkl have been generated in the output folder. Here are two examples:

python model_selection.py --data=PROTEINS --seed=1213 --aggregation=MMD

python model_selection.py --data=AIDS --aggregation=both

Run both files with --help to see all parameters that can be input.

Here is a chunk of code which should run all experiments needed to recreate results in GLAM:

python main.py --data=PROTEINS --use_config --config_file=config/MMD_config.txt
python main.py --data=PROTEINS --aggregation=Mean --use_config --config_file=config/Mean_config.txt
python model_selection.py --data=PROTEINS