where, F w,j denotes the force on the atom with index j predicted by model w, ∥x∥ is the norm of quantity x, and ⟨x⟩ is the expectation value of quantity x, which is approximated by the average of the ensemble. This metric measures the maximum standard deviation in force predictions obtained using an ensemble of models. In this work, we use an ensemble of four models which differ in the seed value used to initialize the weights of the neural nets.