3 papers
q-bio.QM2026
All-Atom GPCR-Ligand Dynamics Simulation via a Residual Latent Flow Mode
Jiying Zhang, Shuhao Zhang, Pierre Vandergheynst +1
G-protein-coupled receptors (GPCRs), which are targeted by over one-third of approved drugs, undergo intricate conformational transitions to transduce signals. While Molecular Dyna…
cs.LG2025
CTR Prediction on Alibaba's Taobao Advertising Dataset Using Traditional and Deep Learning Models
Hongyu Yang, Chunxi Wen, Jiyin Zhang +3
Click-through rates prediction is critical in modern advertising systems, where ranking relevance and user engagement directly impact platform efficiency and business value. In thi…
q-bio.BM2025
Beyond Ensembles: Simulating All-Atom Protein Dynamics in a Learned Latent Space
Aditya Sengar, Jiying Zhang, Pierre Vandergheynst +1
Simulating the long-timescale dynamics of biomolecules is a central challenge in computational science. While enhanced sampling methods can accelerate these simulations, they rely…