Implementation of Invariant Features based on the field generators of invariant polynomials for O(d) x S_n, specifically
- Conjugation-Invariant DeepSet (CI-DS)
-
$O(d)$ -Invariant DeepSet (OI-DS)
- Python 3.7+
- Pytorch 1.10+
- pytorch-geometric version 2.4.x
You can follow the code below to install pytorch-geometric
import os
import torch
os.environ['TORCH'] = torch.__version__
pip install -q torch-scatter -f https://data.pyg.org/whl/torch-${TORCH}.html
pip install -q torch-sparse -f https://data.pyg.org/whl/torch-${TORCH}.html
pip install -q torch-cluster -f https://data.pyg.org/whl/torch-${TORCH}.html
pip install -q git+https://github.com/pyg-team/pytorch_geometric.git
- To run experiment on QM7b (Section 5.1):
python runRegression.py --target [TARGET_INDEX]
- To run experiment on GW distance regression (Section 5.1):
Pointcloud_GWdist.ipynb