. 2023 Oct 9;8(42):39759–39769. doi: 10.1021/acsomega.3c05753

Table 2. Comparative Analysis on the Effect of AttnScale of GeoAttention^a^,^b.

Overall, the AttnScale makes the attention weights more concentrated around the query. The scale of the AttnScale effect is larger in the 8th GeoAttention, rather than in the 3rd one.

The represented molecules are (a) 1,3,5-octatriene and (b) 7,7-dimethyl-1,3,5-octatriene.

Table 2. Comparative Analysis on the Effect of AttnScale of GeoAttentiona,b.

Table 2. Comparative Analysis on the Effect of AttnScale of GeoAttention^a^,^b.