Pretrained GNN embeddings transfer across molecular graphs only under certain data-regime and feature-similarity conditions, and a proposed feature-structuralization method does not consistently improve transfer.
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Towards Foundation Models on Graphs: An Analysis on Cross-Dataset Transfer of Pretrained GNNs
Pretrained GNN embeddings transfer across molecular graphs only under certain data-regime and feature-similarity conditions, and a proposed feature-structuralization method does not consistently improve transfer.