DFT calculations were conducted using the Vienna Ab Initio Simulation Package (VASP) with the projector augmented wave method (PAW). The generalized gradient approximation (GGA) of Perdew, Burke, and Ernzerhof (PBE) was employed to describe the exchange-correlation interactions among electrons with a Hubbard U correction. The U values were machine learned using Bayesian optimization (BO). An updated version of the "BayesianOpt4dftu" code is available at: . Briefly, the BO objective function is formulated to reproduce as closely as possible the band structure obtained from the Heyd-Scuseria-Ernzerhof (HSE) hybrid functional. The reference HSE calculations were conducted using the experimental lattice parameters of 6.101 Å for ZnTe 37,38,71-73 and 6.077 Å for CdSe. For ZnTe, a comparison to the results obtained with the lattice constant of InAs, 6.0584 Å, which was used for interface models, is provided in the SI. It was verified that using the lattice constant of InAs does not have an appreciable effect on the electronic properties of ZnTe (the lattice parameter of CdSe is so close to that of InAs that such a comparison was deemed unnecessary).