emdgroup / baybe

Bayesian Optimization and Design of Experiments
https://emdgroup.github.io/baybe/
Apache License 2.0
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MultiArmedBandit Extension #378

Open Scienfitz opened 1 week ago

Scienfitz commented 1 week ago

Hello @julianStreibel opening this issue here to collect ideas and requirements for extensions around the now published multiarmed bandits (MABs)

In the team we already talked about uniting the different variants under one MultiArmedBandit surrogate class so that one does not have to choose the right class for each target/prior type, but the surrogate does this for you. This was started in #372 but this is on hold depending further discussion

Apart from that, what other bandit classes do we envision? Do you already have some coming from business requirements?

Naively speaking, I'd like something for

There is this nice paper (with a lot of testing around the bandits in SI) that uses bandits for chemistry, perhaps we can draw inspiration on what architectures to favor https://www.nature.com/articles/s41586-024-07021-y

julianStreibel commented 1 week ago

Hi @Scienfitz, I would love to extend this feature, I don't have pending business requirements but could support it if you have a project for bandits. The extensions make sense to me. I'll read the paper and come back to you.

Scienfitz commented 1 week ago

the very first item is maybe to find a way to upload and display the gifs you made, I havent seen them but as content for illsutration they could be rather nice

But there needs to be some balance with the size, did you try with compression how much you can reduce them?