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MAGE: Model-Level Graph Neural Networks Explanations via Motif-based Graph Generation

  • Graph Neural Networks (GNNs) have shown remarkable success in molecular tasks, yet their interpretability remains challenging.
  • To address limitations in traditional model-level explanation methods, an innovative approach called MAGE (Motif-based GNN Explainer) has been introduced.
  • MAGE uses motifs as fundamental units for generating explanations and incorporates critical substructures into the explanations.
  • The effectiveness of MAGE has been demonstrated through quantitative and qualitative assessments on real-world molecular datasets.

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