Example GCN Layer

Example GCN Layer

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• this is equivariant, can cope with any number of neighbors, uses the graph srtucture to provide a Relational Inductive Bias and parameter sharing

Example : Graph Classification

• Network to classify molecules as harmless or toxic
• Adjacency matrix - $A\in {\mathbb{R}}^{N\times N}$
• Node embedding matrix - $X\in {\mathbb{R}}^{118\times N}$
  • 118 elements of the periodic table
  • vectors of length 118 where every position is zero except for the position corresponding to the relevant element, which is set to one
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Example : Node Classification

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