Using the LASSO algorithm, we obtained 11 significant descriptors per bilayer (far fewer than the 35 descriptors used per bilayer for the d prediction). Those descriptors are listed in the Supporting Information. In calculating the band gaps, some DFT functionals are known to considerably underestimate the band gap. For example, some functionals predict a bandgap of ~4.5 eV for hexagonal boron nitride, while its experimental band gap is ~6 eV. To overcome this problem, hybrid functionals that mix the DFT exchange with an exact exchange component have been developed that offer impressive agreement with experimental band gaps. However, the present implementations of hybrid functionals are very expensive.