Finally, we have also applied PiNet2-dipole for computing the IR spectra of liquid water with assistance of the TRAVIS code. Fig. shows the IR spectra computed for the models discussed in Fig. and, which are near identical for all the models. This is not surprising as the MAEs on predicting the supercell dipole moment from these models are very small and in the order of 0.01 D. The computed IR spectra is virtually identical to that of DFTMD simulations with the same DFT functional, meaning that that PiNet2-P3 accurately captures the potential energy surface of the system (see Section 4.5), and PiNet2-dipole yields accurate predictions of the corresponding polarization surface.