19 citations · 53 across the 7 of their papers we have counts for
Showing cs.LGShow all
2 papers · 1 filter
cs.LG2023★ 3 cited
PolyGET: Accelerating Polymer Simulations by Accurate and Generalizable Forcefield with Equivariant Transformer
Rui Feng, Huan Tran, Aubrey Toland +4
Polymer simulation with both accuracy and efficiency is a challenging task. Machine learning (ML) forcefields have been developed to achieve both the accuracy of ab initio methods…
cs.LG2022★ 7 cited
End-to-End Stochastic Optimization with Energy-Based Model
Lingkai Kong, Jiaming Cui, Yuchen Zhuang +3
Decision-focused learning (DFL) was recently proposed for stochastic optimization problems that involve unknown parameters. By integrating predictive modeling with an implicitly di…