Mixed-Integer Optimisation of Graph Neural Networks for Computer-Aided Molecular Design.
Tom McDonaldCalvin TsayArtur M. SchweidtmannNeil Yorke-SmithPublished in: CoRR (2023)
Keyphrases
- computer aided
- mixed integer
- neural network
- design tools
- computer aided design
- image analysis
- computer aided diagnosis
- machine learning
- pattern recognition
- feasible solution
- optimal solution
- genetic algorithm
- network design problem
- design process
- probabilistic model
- convex hull
- lot sizing
- social networks
- lagrangian heuristic