3 pictures of experiments with tagline in front.

Physics x Data Seminar: Dhananjay Bhaskar, Yale School of Medicine

Event time: 
Thursday, November 14, 2024 - 11:00am to 12:00pm
Location: 
Kline Tower, Kline Tower 401 See map
219 Prospect Street
New Haven, CT 06511
Event description: 

“Geometric and Topological Machine Learning for Drug Discovery and Pattern Formation”

Learning the intrinsic geometry and topology of biological data is crucial for uncovering new insights in biomedicine. This talk will explore advanced geometric and topological machine learning methods tailored for drug design, understanding protein conformational landscapes, and cell signaling dynamics. I will begin by presenting the learnable geometric scattering transform, which underpins both GRASSY and ProtSCAPE. GRASSY is a generative model for in silico drug design and lead optimization, and ProtSCAPE leverages structured latent representations learned from molecular dynamics trajectories to elucidate protein dynamics. Next, I will introduce GSTH - a novel approach that integrates geometric scattering with manifold learning and persistent homology - to capture and analyze the topological signatures intrinsic to the spatiotemporal dynamics of cell signaling.

Host: Naomi Gluck