A method for training a machine learning model configured to predict a substrate image corresponding to a printed pattern of a substrate as measured via a metrology tool. The method involves obtaining a training data set including (i) metrology data of the metrology tool used to measure the printed pattern of the substrate, and (ii) a representation of a mask pattern employed for imaging the printed pattern on the substrate; and training, based on the training data set, a machine learning model to predict the substrate image of the substrate as measured by the metrology tool such that a cost function is improved, wherein the cost function includes a relationship between the predicted substrate image and the metrology data.