5 papers
A Hierarchical Adaptive Diffusion Model for Flexible Protein-Protein Docking
Rujie Yin, Yang Shen
Structural prediction of protein-protein interactions is important to understand the molecular basis of cellular interactions, but it still faces major challenges when significant…
Tinkering Against Scaling
Bolun Zhang, Yang Shen, Linzhuo Li +4
The ascent of scaling in artificial intelligence research has revolutionized the field over the past decade, yet it presents significant challenges for academic researchers, partic…
Equivariant Blurring Diffusion for Hierarchical Molecular Conformer Generation
Jiwoong Park, Yang Shen
How can diffusion models process 3D geometries in a coarse-to-fine manner, akin to our multiscale view of the world? In this paper, we address the question by focusing on a fundame…
Correlational Lagrangian Schrödinger Bridge: Learning Dynamics with Population-Level Regularization
Yuning You, Ruida Zhou, Yang Shen
Accurate modeling of system dynamics holds intriguing potential in broad scientific fields including cytodynamics and fluid mechanics. This task often presents significant challeng…
From Function to Distribution Modeling: A PAC-Generative Approach to Offline Optimization
Qiang Zhang, Ruida Zhou, Yang Shen +1
This paper considers the problem of offline optimization, where the objective function is unknown except for a collection of ``offline" data examples. While recent years have seen…