unicado_workflow: - fix optimization code and workflow to prevent getting stuck and make it user flexible
Description
- Fixed new EGO code based on issue with stagnation from previous merge conversation and user reports
- The bayesian optimsation and acquisition function files are also different, added compatibility with more acquisition functions under constraint (now, UCB can be combined with trust-bound acquisition, for example)
Testing Instructions
- You will need to update the entire optimization folder on your local machine
- You can now make changes to optimisation settings in the optimization_conf.xml file, so copy this (a documentation is to follow shortly)
- Run the workflow overnight - (termination might up to 8h, depending on your settings, so try with N = 4 and N_imposed = 8, to reduce this time
Developer Checklist
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Code has been tested locally and/or in pipeline.
Additional Notes
N/A
Edited by Uche A.