Table 1.

Summary of the RMSE for the 16 excitations and the RSE for spectra for the 6k and the 132k datasets. The results are averages over 5 runs, except for the spectra predictions of 132k dataset which were averaged over 3 runs. The resulting statistical error is at most ±0.003 and has therefore been omitted from this table

Datasets →	6k		132k
Model ↓	Levels [eV]	Spectra	Levels [eV]	Spectra
MLP	0.317	NA	NA	NA
CNN	0.304	0.057	0.231	0.039
DTNN	0.251	0.051	0.186	0.029