Learning Clustered Representation for Complex Free Energy Landscapes

no code implementations • 7 Jun 2019 • Jun Zhang, Yao-Kun Lei, Xing Che, Zhen Zhang, Yi Isaac Yang, Yi Qin Gao

In this paper we first analyzed the inductive bias underlying the data scattered across complex free energy landscapes (FEL), and exploited it to train deep neural networks which yield reduced and clustered representation for the FEL.

Clustering Dimensionality Reduction +1