6 papers · 1 filter
AMGenC: Generating Charge Balanced Amorphous Materials
Yan Lin, Jilin Hu, N. M. Anoop Krishnan +1
Amorphous (disordered) materials are solids that have shown great potential in various domains, including energy storage, thermal management, and advanced materials. Unlike crystal…
DiSGMM: A Method for Time-varying Microscopic Weight Completion on Road Networks
Yan Lin, Jilin Hu, Shengnan Guo +3
Microscopic road-network weights represent fine-grained, time-varying traffic conditions obtained from individual vehicles. An example is travel speeds associated with road segment…
AMShortcut: An Inference- and Training-Efficient Inverse Design Model for Amorphous Materials
Yan Lin, Jonas A. Finkler, Tao Du +2
Amorphous materials are solids that lack long-range atomic order but possess complex short- and medium-range order. Unlike crystalline materials that can be described by unit cells…
SculptDrug : A Spatial Condition-Aware Bayesian Flow Model for Structure-based Drug Design
Qingsong Zhong, Haomin Yu, Yan Lin +3
Structure-Based drug design (SBDD) has emerged as a popular approach in drug discovery, leveraging three-dimensional protein structures to generate drug ligands. However, existing…
Spatio-Temporal Trajectory Foundation Model - Recent Advances and Future Directions
Sean Bin Yang, Ying Sun, Yunyao Cheng +3
Foundation models (FMs) have emerged as a powerful paradigm, enabling a diverse range of data analytics and knowledge discovery tasks across scientific fields. Inspired by the succ…
DUET: Dual Clustering Enhanced Multivariate Time Series Forecasting
Xiangfei Qiu, Xingjian Wu, Yan Lin +3
Multivariate time series forecasting is crucial for various applications, such as financial investment, energy management, weather forecasting, and traffic optimization. However, a…