Question: In supervised learning problems where we need to make graph - level predictions ( e . g . molecules are represented as graphs, and we

In supervised learning problems where we need to make graph-level predictions (e.g. molecules are represented as graphs, and we construct a graph neural network to predict the melting temperature associated with a given molecule), a pooling function is used to combine information from learned node embeddings that does not depend on the ordering of the nodes (since properties associated with a graph should not depend on the order in which we number the nodes). Pooling functions such as mean and max satisfy this invariance to node ordering while still allowing the model to distinguish between different graph structures.

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