The averaging in Eq. 10 is performed over random batches of the locally ergodic MD training data that are distributed according to the true Boltzmann distribution p(r) = Z -1 exp (-u(r)). The constant of interest f = -ln Z, appearing Eq. 10, is unknown prior to performing a FE calculation but does not affect the gradient that is used for training the model ∂ Θ L ML . The quantity averaged in Eq. 10 corresponds to the generalized work