3 papers
physics.chem-ph2026
UBio-MolFM: Enabling Biomolecular Dynamics at DFT Accuracy and Atoms with One Untuned Potential
Lin Huang, Frank Peng, JiaJun Cheng +8
Ion conduction, membrane permeation and metal recognition hinge on electronic structure, yet first-principles simulation reaches only hundreds of atoms. UBio-MolFM lifts that ceili…
physics.chem-ph2026
UBio-MolFM: A Universal Molecular Foundation Model for Bio-Systems
Lin Huang, Arthur Jiang, XiaoLi Liu +8
All-atom molecular simulation serves as a quintessential ``computational microscope'' for understanding the machinery of life, yet it remains fundamentally limited by the trade-off…
stat.ML2024
Learning Networks from Wide-Sense Stationary Stochastic Processes
Anirudh Rayas, Jiajun Cheng, Rajasekhar Anguluri +2
Complex networked systems driven by latent inputs are common in fields like neuroscience, finance, and engineering. A key inference problem here is to learn edge connectivity from…