In figure , the measured spectrum of 10-bromoanthracen-9(10H)-one (black trace) is depicted alongside predictions from the atomic-number-only implementation of Graphormer-IR (teal trace), and predictions by the state-ofthe-art model using learned feature generation (red trace). There exists a difference of Δ𝑆𝐼𝑆 𝜇 = +0.16 between the predictions of these two models. In general, both predicted spectra exhibit the correct number of bands, but the atomicnumber-only model does relatively poorly in terms of band positions. Notable regions of discrepancy are highlighted with gray bars in Figure , which shows successful prediction of C-Br stretching (ca. 695 cm -1 ), C-C-H bending (ca. 800 cm -1 ) and C=O stretching (ca. 1,700 cm -1 ) by the fullfeature model. Figure shows the spectrum of (Z)-1,2,3-trichloroprop-1-ene along with predictions provided by the atomic-number-only model and the full-feature model. The full-feature model spectrum improves upon the atomic-number-only model by Δ𝑆𝐼𝑆 𝜇 =+0.19 though capturing features that are missed by the simpler model. The most obvious example of this improved prediction power occurs at 1,600 cm -1 , where the full-feature model predicts at C=C stretching band that the atomic-number-only model does not. This improvement is a direct result of including additional node level information relevant to describing double bonds (e.g., hybridization) in the full-feature model.