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…

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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.

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29/07/2020 – AI3SD Online Seminar Series: Neural Networks and Explanatory Opacity – Dr Will McNeill

https://www.youtube.com/watch?v=3rSnjnUjpo0&ab_channel=AI4ScientificDiscovery Abstract: Deep artificial neural network (DANN) designers often accept that the systems they construct lack interpretability, are not transparent – in other words, that they are ‘inexplicable’. It should not…

Continue Reading29/07/2020 – AI3SD Online Seminar Series: Neural Networks and Explanatory Opacity – Dr Will McNeill

29/07/2020 – AI3SD Online Seminar Series: Neural Networks and Explanatory Opacity – Dr Will McNeill

Deep artificial neural network (DANN) designers often accept that the systems they construct lack interpretability, are not transparent - in other words, that they are 'inexplicable'. It should not be obvious what they mean. Explanations, particularly in the neurosciences, are often thought to consist of the mechanisms which underpin observed phenomena. But DANN designers have complete access to the mechanisms underpinning the systems they build - as well as access to their training sets, design parameters, training algorithms and so on. In this talk I distinguish various senses of 'explanation' - ontic, epistemic, objective, subjective. The aims are (1) to help map out the various questions we might be interested in, (2) to scope the limits of mechanistic approaches to the question of explanation, and (3) to try to narrow down the sense in which DANNs are supposed to be explanatorily opaque.

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22/07/2020 – AI3SD Online Seminar Series: Design Fiction as a method and why we might use it to consider AI – Dr Naomi Jacobs

https://www.youtube.com/watch?v=AxXZRk6CLws&ab_channel=AI4ScientificDiscovery Interview: After this seminar, Dr Samantha Kanza interviewed Naomi. This interview can be found here: https://eprints.soton.ac.uk/442940/ Abstract: AI is a fast moving field that is rapidly advancing and becoming…

Continue Reading22/07/2020 – AI3SD Online Seminar Series: Design Fiction as a method and why we might use it to consider AI – Dr Naomi Jacobs

22/07/2020 – AI3SD Online Seminar Series: Design Fiction as a method and why we might use it to consider AI – Dr Naomi Jacobs

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AI is a fast moving field that is rapidly advancing and becoming embedded in a multitude of sectors and applications. With such a fast pace, and excitement over the possibilities it allows, there is often a rush to get things going. This being the case, sometimes not enough time is spent considering the implications and unforeseen outcomes that might come from the introduction of new technologies, processes and practices. Ideas that seem plausible and useful can turn out to be problematic when actually implemented, by which time it is often too late. By using the methodology of speculative design, we can more closely examine these implications and outcomes before the technologies become a reality. This talk will introduce speculative design and give some examples of design fiction, a method wherein objects from fictional futures or alternate presents are created to provoke discussion and explore possibilities.

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15/07/2020 – AI3SD Online Seminar Series: InChI: measuring the molecules – Professor Jonathan Goodman

https://www.youtube.com/watch?v=B881b5BasnU&ab_channel=AI4ScientificDiscovery Interview: Prior to this seminar, AI3SD interviewed Jonathan. This interview can be found here: https://eprints.soton.ac.uk/442343/ Abstract: The IUPAC international chemical identifier, InChI, provides a way to name molecules. It is defined…

Continue Reading15/07/2020 – AI3SD Online Seminar Series: InChI: measuring the molecules – Professor Jonathan Goodman

15/07/2020 – AI3SD Online Seminar Series: InChI: measuring the molecules – Professor Jonathan Goodman

The IUPAC international chemical identifier, InChI, provides a way to name molecules. It is defined by an open algorithm that transforms molecular structures into unique strings of text. Each molecule should have exactly one InChI, and each InChI should correspond to exactly one molecule. This property makes it a useful tool in the management of chemical information, and it is widely used. The InChI Trust and IUPAC are continuing to work on developing the standard and on creating new tools which are built on the InChI. This talk will outline how the InChI is used now, and how this may develop in the future.

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07/07/2020 – AI4Good @ WebSci20

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This year the AI3SD Network+ (Artificial Intelligence and Augmented Intelligence for Automated Investigations for Scientific Discovery) will be running a workshop at the WebSci20 Conference in Southampton, UK. Artificial and Augmented Intelligence systems have the potential to make a real difference in the scientific discovery domain however this brings a new wealth of ethical and societal implications to consider with regards to this research (e.g. human enhancement, algorithmic biases, risk of detriment). This workshop looks to explore the ethical and societal issues centered around using intelligent technologies (Artificial Intelligence, Augmented Intelligence, Machine Learning, and in general Semantic Web Knowledge Technologies) to further scientific discovery, with a strong consideration of data ethics and algorithmic accountability. Advances in technology and software are rarely inherently bad in themselves, however that unfortunately does not preclude them from being subverted to ill intent by others; furthermore, as demonstrated by the examples above, even an unintentional lack of care towards ethical codes and algorithmic accountability can lead to societal and ethical implications of scientific discovery. It is our responsibility as researchers to consider these issues in our research; are we conducting studies ethically? What ethical codes can we put in place for scientific discovery research to mitigate against ethical and societal issues. These are really important issues, and they require an interdisciplinary focus between scientists, social scientists and technical experts in order to be comprehensively addressed.

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