Introducing dynamical constraints into representation learning. - Dedi Wang; Yihang Wang; Luke Evans; Pratyush Tiwary (CoRR, 2022)

Graph Neural Network-State Predictive Information Bottleneck (GNN-SPIB) approach for learning molecular thermodynamics and kinetics. - Ziyue Zou; Dedi Wang; Pratyush Tiwary (CoRR, 2024)