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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

  1. You will need to update the entire optimization folder on your local machine
  2. You can now make changes to optimisation settings in the optimization_conf.xml file, so copy this (a documentation is to follow shortly)
  3. 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

  • Code has been tested locally and/or in pipeline.

Additional Notes

N/A

Edited by Uche A.

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