The challenge with modelling HEAs is that they have very complex electronic structures, its very tempting for a newbie to throw an MLIP at the problem but in reality you have many complicated bonding arrangements that are not captured by these models, this is also compounded by the fact that you dont just have a slab with a bunch of itinerant electrons but you end up with covalent and even ionic-like bondings forming in the SRO substructures. Then theres spin treatment (which matters a lot), and also because the configuration space is combitatorially large you also have to do some high throughout studies with statistical interpretation since by definition theres no such thing as a representative unit cell in an HEA

How do I know? We have invented multiple via simulation and have them in the lab for synthesis now!