Graphs / Foundations
verifiedMessage Passing
The operation nearly every graph network is built from: each node sends a message to its neighbours, each node adds up what it receives, and each node updates itself from the total. Repeat, and information travels one hop per round. Depth is reach — how far a node can hear is exactly how many rounds you ran.
Message, aggregate, update — and the aggregator has to be permutation-invariant, so sum, mean and max are the usual choices and they are not interchangeable. Sum preserves how many neighbours there were and mean throws it away, which is why mean-aggregation cannot tell a node with three identical neighbours from one with thirty. That single choice is most of the expressivity difference between architectures.
h sub v super (l+1) = φ(h sub v super (l) , ⊕ sub u ∈ N(v) ψ(h sub v super (l) , h sub u super (l) , e sub uv )) with ⊕ a permutation-invariant aggregator. Because ⊕ is invariant and φ is shared across nodes, the layer is equivariant — and because reach grows one hop per layer, an L-layer network cannot represent any dependency longer than L hops.
nodes-in-reach holds 25% of the budget; rest holds the remaining 75%.
Nodes a representation can reach after this many rounds against the graph still out of earshot, in nodes. Drag the reach up to watch the receptive field swallow the graph — and note it is rounds, not kernel size, that decides.
Reviewed by opendroid · 2026-08-18
- arXiv:1704.01212 — Neural Message Passing for Quantum Chemistry