I don't know how you would classify this for replace vs augment. However Neural Network force fields which replace traditional forcefields in simulations are an

I don't know how you would classify this for replace vs augment. However Neural Network force fields which replace traditional forcefields in simulations are and have been an active area of work. There are plenty of examples but I'd say most notable are Deep-MD by the Weinan E lab of Princeton (they even have a docker file on NGC), the work of Behler and derivatives, and probably more towards the direct replacement, TensorMol which I've seen some recent movement on.