3 accepted papers
Sharpness-aware minimization (SAM) is widely recognized for enhancing the generalization performance of deep neural networks. However, recent works have challenged the statement that flatness implies generalization, demonstrating that it is insufficient as the indicator of generalization. In this pa
Retrosynthesis, which predicts the reactants of a given target molecule, is an essential task for drug discovery. Retrosynthesis prediction based on molecular graph editing has garnered widespread attention due to excellent interpretability. Existing methods fail to effectively incorporate the chemi
The study of the implicit regularization induced by gradient-based optimization in deep learning is a long-standing pursuit. In the present paper, we characterize the implicit regularization of momentum gradient descent (MGD) in the continuous-time view, so-called momentum gradient flow (MGF). We s…