3 papers
cs.LG2025
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…
cs.LG2025
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…
cs.LG2025
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…