[Research] Lab meeting: Wednesday March 24

[Artur Dubrawski]

The meeting has been moved to HBH 6501.
Other parts of the plan remain unchanged.

Artur

Artur Dubrawski wrote:
> Time: The First Wednesday of Spring, 12:00noon
>
> Place: NSH 1507 (Karen W. to confirm that)
>
> Speaker: David Anqi Cui
>
> Title: Active Learning Algorithms for Fast Drug Discovery
>
> Abstract:
>
> In this talk, I will show my work during the past six months. The
> project is based on drug discovery which usually costs a lot of time
> and money. Chemists have to do many experiments to screen useful
> compounds. In this paper, we present active learning algorithms for
> fast drug discovery. The algorithms decrease the number of experiments
> required to find out the best performance compounds among plenty of
> possible trials. The problem is a traditional exploration vs.
> exploitation dilemma and our approach is based on the multi-armed
> bandit problem and other function approximators. We propose the
> expected improvement estimation as a method to measure the unknown
> compounds. Some traditional models including UCB algorithms, Gaussian
> process, regression trees and so on are also used for this problem.
> Our results show that the algorithms present in this paper
> significantly raise the best performance of compounds found within a
> certain number of picks. The number of picks needed to first discover
> the best compound are also reduced to about half of random method's
> cost.
>
> See you all there!
>
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