Junction Tree representations of small molecules

Speaker

MIT CSAIL

Host

David Gifford
Tommi Jaakola is a Thomas Siebel Professor of Electrical Engineering and Computer Science and the Institute for Data, Systems, and Society. His group research advances how machines can learn, predict or control, and do so at scale in an efficient, principled, and interpretable manner. His group's research in machine learning extends from foundational theory to modern applications, focusing especially on statistical inference and estimation tasks that lie at the heart of complex learning problems. They design new methods, theory and algorithms so as to automate the use and generation of semi-structured data such as natural language text, images, molecules, or strategies. They apply and develop our algorithms to solve multi-faceted recommender, retrieval, or inferential tasks (e.g., biomedical), design and optimize molecules or reactions for the purpose of drug design, and to model strategic, game theoretic interactions.

A publication of interest related to this talk is:
Junction Tree Variational Autoencoder for Molecular Graph Generation