Presentations
Templates
Features
Teams
Pricing
Log in
Sign up
Log in
Sign up
Menu
Genetic Optimisation of Training Sets for Improved Machine Learning Models of Molecular Properties
Nicholas J. Browning
Overview
Learning From Data
Types of Learning
The Kernel Method
Applications to Chemistry
Descriptors
Problem Outline
Database
Genetic Algorithms
Results & Discussion
Future Directions
Acknowledgements
Learning from Data
Regression
Classification
Clustering
Dimensionality Reduction
Application to Computational Chemistry
E(\{Z, R\}') = \sum_i{w}_i{\phi}_i(M_i(\{Z, R\}_i))
H\Psi = E\Psi
Genetic Optimisation of Training Sets for Improved Machine Learning Models of Molecular Properties
By Nick Browning
Made with Slides.com
Genetic Optimisation of Training Sets for Improved Machine Learning Models of Molecular Properties
568
Nick Browning
More from
Nick Browning