18/11/2020 – AI3SD Winter Seminar Series: Topology and Applications in Chemistry

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This seminar forms part of the AI3SD Online Seminar Series that will run across the winter (from November 2020 to April 2021). This seminar will be run via zoom, when you register on Eventbrite you will receive a zoom registration email alongside your standard Eventbrite registration email. Where speakers have given permission to be recorded, their talks will be made available on our AI3SD YouTube Channel. The theme for this seminar is Topology and Applications in Chemistry. 

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05/08/2020 – AI3SD Online Seminar Series: Dimensionality in chemistry: using multidimensional data for machine learning – Dr Ella Gale

https://www.youtube.com/watch?v=NhR7xWlAO4g&ab_channel=AI4ScientificDiscovery Abstract: In the last hundred years mankind has fully absorbed the idea of multi-dimensional space, starting with 4D space time. Due to the increase in computational power, scientists can…

Continue Reading 05/08/2020 – AI3SD Online Seminar Series: Dimensionality in chemistry: using multidimensional data for machine learning – Dr Ella Gale

05/08/2020 – AI3SD Online Seminar Series: Dimensionality in chemistry: using multidimensional data for machine learning – Dr Ella Gale

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In the last hundred years mankind has fully absorbed the idea of multi-dimensional space, starting with 4D space time. Due to the increase in computational power, scientists can now manipulate molecules in 4D (3D vibrating molecules in VR) and work with multidimensional datasets, which are needed to utilize big data and machine learning. However, our intuition from 3D space can fall down when dealing with higher dimensions and a lack of intuition can lead to mistakes in analysis. In this talk I will discuss how to think about the best dimensional space to use to describe chemical problems, how multi-dimensional space is different, techniques for using it and analysing the outputs of machine learning.

Continue Reading 05/08/2020 – AI3SD Online Seminar Series: Dimensionality in chemistry: using multidimensional data for machine learning – Dr Ella Gale