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LANS Seminar
August 24, 2022 @ 10:30 - 11:30 CDT
Seminar Title: Bayesian Optimization over Combinatorial Structures
Speaker: Aryan Deshwal, Research Assistant, Washington State University
Date/Time: August 24, 2022 / 10:30 am – 11:30 am
Location: See meeting URL on the cels-seminars website (requires Argonne login)
Host: Prasanna Balaprakash
Description: Scientists and engineers in diverse domains need to perform expensive experiments to optimize combinatorial spaces, where each candidate input is a discrete structure (e.g., sequence, tree, graph) or a hybrid structure (mixture of discrete and continuous design variables). For example, in drug and vaccine design, we need to search a large space of molecules guided by physical lab experiments. These experiments are often performed in a heuristic manner by humans and without any formal reasoning. Bayesian optimization (BO) is an efficient framework for optimizing expensive black-box functions. However, most of the BO literature is largely focused on optimizing continuous spaces. In this talk, I will discuss the main challenges in extending BO framework to combinatorial structures and some algorithms that I have developed in addressing them.
Please note that the meeting URL for this event can be seen on the cels-seminars website, which requires an Argonne login.