Reviews: End-to-end Symmetry Preserving Inter-atomic Potential Energy Model for Finite and Extended Systems

Neural Information Processing Systems 

The paper proposes a new learnable model DeepPot-SE for inter-atomic potential energy surfaces (PES) based on deep neural networks. The authors start by introducing a number of requirements that a PES model should fulfil. Compared to other proposed model, this proposed model is the first to fulfil all these requirements, including differentiability and preserving natural symmetries. In the empirical evaluation, the performance of the proposed model is comparable to or better than state-of-the-art models as measured in MAE for energy and force predictions. Generally the paper the paper is well written and easy to follow.