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Graph Recognition via Subgraph Prediction (GraSP)

This is the official repository of the paper "Graph Recognition via Subgraph Prediction" submitted to AAAI26. We encourage reviewers to explore our models interactively as explained below.

Examples

In case it is not possible to run the code as explained below, we provided many examples of sample trajectories under results/examples for each different experiment.

Installation

Our code uses uv as fast dependency manager for reproducible environments. Run the commands below to install the dependencies and activate the environment.

uv venv --python 3.12.10
uv sync
source .venv/bin/activate

Interactive model usage

We provide our models under results/models. test.py is a small CLI wrapper for all experiments which can be used as follows. Use the --save flag for visualization of the results.

trees_sm is configured for graphs with 6-9 nodes and trees_lg is configured for graphs with 10-15 nodes. It is possible to define custom ranges with a custom suffix in line 30.

python test.py --experiment qm9 
python test.py --experiment trees_sm --NC 3 --EC 3  
python test.py --experiment trees_lg --NC 3 --EC 3 

Running the trees examples is not specifically bound to any size for inference, therefore with the --model flag, it is possible to switch models to use those trained on the smaller or larger dataset. This applies to any custom range.

python test.py --experiment trees_sm --NC 3 --EC 3 --model lg  
python test.py --experiment trees_lg --NC 3 --EC 3 --model sm

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