sparks-baird / bayes-opt-particle-packing

Compactness Matters: Improving Bayesian Optimization Efficiency of Materials Formulations through Invariant Search Spaces
MIT License
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Swapping out objective function with open-source equivalent #2

Open sgbaird opened 1 year ago

sgbaird commented 1 year ago

https://github.com/VasiliBaranov/packing-generation

https://github.com/VasiliBaranov/packing-generation/issues/15#issuecomment-558380097

sgbaird commented 1 year ago

@MrJasonBear I'd like to swap out the NGIS executable with the open-source implementation in the packing-generation repo. Then I'd like to have simulations for ~10k points, each repeated ten times (total 100k simulations). I'm planning on 100 particles per simulation to make the computations faster. To do this, it would help a lot if the open-source implementation was available on PyPI (i.e. pip-installable). This makes it so:

It's more challenging to get C++ working on PyPI than if it were pure Python code. There is some discussion about how to do that here https://github.com/VasiliBaranov/packing-generation/issues/10#issuecomment-1349765129. @MrJasonBear do you mind looking into this more to see if it's feasible?

sgbaird commented 1 year ago

Some other resources: