Symposium - 'Crowd-sourcing Machine Learning in NMR'

Lars Andersen Bratholm

Symposium - Title: 'Crowd-sourcing Machine Learning in NMR'

University of Bristol, School of Mathematics, Fry Building

Abstract: The rise of machine learning (ML) has led to an explosion in potential strategies which may be used to learn from data in order to make scientific predictions. For physical scientists who wish to apply ML strategies to a particular domain, the vast number of strategies available has made it difficult to make an a priori assessment of what strategy to adopt. This is further complicated when similar domains have not been previously explored in the literature.Recently, we worked with Kaggle to design a <a href="https://www.kaggle.com/c/champs-scalar-coupling" target="_blank" data-msys-clicktrack="0" rel="nofollow noopener noreferrer">competition</a> which encouraged data scientists around the world to develop ML models for predicting pairwise nuclear magnetic resonance (NMR) properties for synthetically relevant chemical compounds. Over 3 months, we received 47,800 ML model submissions from 2700 teams in 84 countries, with the top models outperforming our own previously published methods. The success this strategy has cultivated highlights the potential of crowd-sourced ML approaches across a range of scientific domains.This symposium will introduce the background and main findings of the competition, including the context of computational NMR, the Kaggle platform and presentations from the top performing teams of the competition.Location: Lecture Theatre 2.41, Fry Building, Bristol BS8 1THSchedule:10:00 - 11:15: Registration11:15 - 11:50: Craig Butts and Will Gerrard, University of Bristol11:50 - 12:25: Addison Howard and Walter Reade, Kaggle12:25 - 13:15: Lunch13:15 - 13:50: Lars Andersen Bratholm, University of Bristol13:50 - 14:25: Brandon Anderson14:25 - 14:40: Break14:40 - 15:15: Luka Stojanovic and Milos Popovic15:15 - 15:50: Sunghwan Choi15:50 - 16:05: Break16:05 - 16:40: Andres Torrubia16:40 - 17:15: Devin Wilmott, Bosch Center for AI17:15 - 18:15: Drinks receptionSponsors:CHAMPS - Chemistry and Mathematics in Phase Space (CHAMPS) is a 6 year EPSRC-sponsored Programme Grant involving Bristol University, Cardiff University, Imperial College and Leeds University.JGI - ‘The Jean Golding Institute fosters high quality data-intensive research. We facilitate and strengthen interdisciplinary work, provide data-science expertise, and build a cohesive data science community in an increasingly data-rich world.’

Our {communityGuidelinesLink} describe the sort of content we prohibit on Eventbrite. If you suspect an event may be in violation, you can report it to us so we can investigate.

To report other categories of prohibited or illegal content, submit {link}

Symposium - 'Crowd-sourcing Machine Learning in NMR'

More events from Lars Andersen Bratholm

Discover more events from Lars Andersen Bratholm, from Science & Tech to other experiences you might love.

Still looking for the right event?

Explore all events in Bristol and filter by date, category, and more to find the perfect fit.

Symposium - 'Crowd-sourcing Machine Learning in NMR'

More events from Lars Andersen Bratholm

Discover more events from Lars Andersen Bratholm, from Science & Tech to other experiences you might love.

More Science & Tech events

Browse more Science & Tech events with different dates, prices, and formats to find your next great experience.

Still looking for the right event?

Explore all events in Bristol and filter by date, category, and more to find the perfect fit.