35 citations · 44 across the 15 of their papers we have counts for
3 papers · 1 filter
SOCRATES: Simulation Optimization with Correlated Replicas and Adaptive Trajectory Evaluations
Haoting Zhang, Haoxian Chen, Donglin Zhan +5
The field of simulation optimization (SO) encompasses various methods developed to optimize complex, expensive-to-sample stochastic systems. Established methods include, but are no…
GPU-MetaD: Full-Life-Cycle GPU Accelerated Metadynamics with Machine Learning Potentials
Haoting Zhang, Qiuhan Jia, Zhennan Zhang +6
Large-scale molecular dynamics simulations with high accuracy have been increasingly popular for their capability to bridge the gap between atomistic modeling and mesoscale phenome…
Collaborative Bayesian Optimization via Wasserstein Barycenters
Donglin Zhan, Haoting Zhang, Rhonda Righter +2
Motivated by the growing need for black-box optimization and data privacy, we introduce a collaborative Bayesian optimization (BO) framework that addresses both of these challenges…