Yudi Guo

BioDynaSpec: Harmonic-Guided Spatio-Spectral Autoregressive Diffusion for Protein Dynamics Generation

Generating long-horizon, all-atom molecular dynamics (MD) is difficult due to error accumulation in time-domain autoregressive models (causing drift) and fixed step-size constraints on temporal resolution. We propose **BioDynaSpec**, which reformulates protein dynamics as spatio-spectral generation:…