Mixed-integer optimisation of graph neural networks for computer-aided molecular design.
Tom McDonaldCalvin TsayArtur M. SchweidtmannNeil Yorke-SmithPublished in: Comput. Chem. Eng. (2024)
Keyphrases
- computer aided
- mixed integer
- neural network
- design tools
- computer aided design
- computer aided diagnosis
- image analysis
- diagnosis of breast cancer
- genetic algorithm
- linear program
- pattern recognition
- optimal solution
- computer vision
- process planning
- knapsack problem
- lot sizing
- decision trees
- decision making
- continuous relaxation