Should we have a common abstraction language?
Common abstraction language
- everything should come down to SLD
- a common vocabulary and grammar
- instruction about how to arrange
Some constraints are different from others
- But constraints are important in optimisation
Model builder to reflectometry calculation engine
- Need to consider the constraints in between this (including mathematical descriptions)
A declaritive language that is translated to something that is optimised (with feedback to the GUI)
- This will be a pain but useful for historical code and futureproofing
- It would also improve the reusability of the different models.
It is important to consider atomistic/coarse-grained simulations as input.
What novel technologies should we be investigating?
Machine learning is sexy; but is it worthwhile?
- Rapid prototyping of analysis
- Check sense of models
Analysis is more powerful with data science tools (Bayesian inference, information theory)
Need to engage users with these methods
- Particularly good for non-unique answers
- Resources for education
Machine learning is the start of the process, not the end.
- Currently a bit of a black box
- Useful for the automation of “easy” tasks
- Might be useful for assessing analysis feasibility at proposal stage