Table 5 A list of hyperparameters optimised for each architecture type, and the domains over which they were optimised
Hyperparameter | SELU-MPNN | AMPNN | EMNN |
|---|---|---|---|
Learn-rate | {\(10^{ - 6} - 10^{ - 4}\)} | {\(10^{ - 6} - 10^{ - 4}\)} | {\(10^{ - 6} - 10^{ - 4}\)} |
Message-size | [10,16,25,40] | [10,16,25,40] | NA |
Message-passes | [1–10] | [1–10] | [1–8] |
Msg-hidden-dim | [50,85,150] | [50,85,150] | [50,85,150] |
Gather-width | [30,45,70,100] | [30,45,70,100] | [30,45,70,100] |
Gather-emb-hidden-dim | [15,26,45,80] | [15,26,45,80] | [15, 26, 45] |
Gather-att-hidden-dim | [15,26,45,80] | [15,26,45,80] | [15, 26, 45] |
Out-hidden-dim | [360,450,560] | [360,450,560] | [360,450,560] |
Out-dropout-p | {0.0–0.1} | {0.0–0.1} | {0.0–0.1} |
Out-layer-shrinkage | {0.2–0.6} | {0.2–0.6} | {0.2–0.6} |
Att-hidden-dim | NA | [50,85,150] | [50,85,150] |
Edge-emb-hidden-dim | NA | NA | [60,105,180] |
Edge-embedding-size | NA | NA | [30,50,80] |