Machine Learning & Artificial Intelligence for Chemists New
Artificial Intelligence (AI) in the context of chemistry has a long history. The first application was in mass spectrometry, but AI is now being applied to a diverse range of problems, including reaction prediction and drug discovery. Machine learning (ML) is an important part of AI, and the aim of this course is to introduce some of the main ML concepts and techniques, and to illustrate their use in contemporary chemical applications. By the end of the course, you should be able to judge which of these ML techniques are appropriate for a given task and evaluate the results.
The lectures will be supplemented with two practical sessions (which require a basic knowledge of R) and two assignments.
Some of the reading material will be taken from parts of the following books: Bishop, C.M., Pattern Recognition and Machine Learning, Springer, 2006. Hastie, T., Tibshirani, R. & Friedman. J., The Elements of Statistical Learning (2nd edn), Springer, 2009. Mohri, M., Rostamizadeh, A. & Talwalkar, A., Foundations of Machine Learning (2nd edn), MIT Press, 2018. Murphy, K.P., Machine Learning: A Probabilistic Approach, MIT Press, 2012. Russell, S.J. & Norvig, P., Artificial Intelligence: A Modern Approach (3rd edn), Pearson, 2010.
Number of sessions: 7
# | Date | Time | Venue | Trainer |
---|---|---|---|---|
1 | Wed 13 Feb 2019 12:00 - 13:00 | 12:00 - 13:00 | Todd-Hamied | Richard Dybowski |
2 | Wed 20 Feb 2019 12:00 - 13:00 | 12:00 - 13:00 | Todd-Hamied | Richard Dybowski |
3 | Wed 27 Feb 2019 12:00 - 13:00 | 12:00 - 13:00 | Todd-Hamied | Richard Dybowski |
4 | Wed 6 Mar 2019 11:00 - 13:00 | 11:00 - 13:00 | Todd-Hamied | Richard Dybowski |
5 | Tue 12 Mar 2019 11:00 - 13:00 | 11:00 - 13:00 | Unilever Lecture Theatre | Richard Dybowski |
6 | Wed 20 Mar 2019 12:00 - 13:00 | 12:00 - 13:00 | Todd-Hamied | Richard Dybowski |
7 | Thu 2 May 2019 11:00 - 13:00 | 11:00 - 13:00 | Todd-Hamied | Richard Dybowski |
- AI, ML and types of learning
- Examples from chemistry
- Induction, trees and random forests
- Optimising and evaluating ML systems
- Designing an ML project
- Regression and neural networks
- Transduction, support vector machines and kernel methods
- Ensembles, boosting and reinforcement learning
Booking / availability