7 papers
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…
Inverse Design of Amorphous Materials with Targeted Properties
Jonas A. Finkler, Yan Lin, Tao Du +2
Disordered (amorphous) materials, such as glasses, are emerging as promising candidates for applications within energy storage, nonlinear optics, and catalysis. Their lack of long-…
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…