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_<dataset>_<seed>.pkl and GIN_Mean_<dataset>_<seed>.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