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.
Incidence Networks for Geometric Deep Learning
1 Pith paper cite this work. Polarity classification is still indexing.
abstract
Sparse incidence tensors can represent a variety of structured data. For example, we may represent attributed graphs using their node-node, node-edge, or edge-edge incidence matrices. In higher dimensions, incidence tensors can represent simplicial complexes and polytopes. In this paper, we formalize incidence tensors, analyze their structure, and present the family of equivariant networks that operate on them. We show that any incidence tensor decomposes into invariant subsets. This decomposition, in turn, leads to a decomposition of the corresponding equivariant linear maps, for which we prove an efficient pooling-and-broadcasting implementation.
fields
cs.LG 1years
2024 1verdicts
CONDITIONAL 1representative citing papers
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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.