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. 2020 Jan 8;12:1. doi: 10.1186/s13321-019-0407-y

Table 1.

Core differences between model architectures

Model Hidden states Denotion of neighbourhood Message aggregation scheme
MPNN hvt Nv mvt=wNvMthvt,hwt,evw
AMPNN hvt Nv

mvt=Athvt,Svt, where

Svt=hwt,evw|wNv

EMNN hvwt k,v|kNv,kw

mvwt=Atevw,Svwt, where

Svwt=hkv|kNv,kw