emdgroup / baybe

Bayesian Optimization and Design of Experiments
https://emdgroup.github.io/baybe/
Apache License 2.0
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Accessing model predictions/posterior or surrogate model with DesirabilityObjective #387

Closed Scienfitz closed 1 month ago

Scienfitz commented 1 month ago

Discussed in https://github.com/emdgroup/baybe/discussions/385

Originally posted by **sskaye** September 28, 2024 Is there a way to access the model predictions/posterior when using a DesirabilityObjective (or any objective with multiple targets)? I need this in order to examine how well the model is fitting the data. For a SingleTargetObjective, I use the campaign.get_surrogate() method, fit the surrogate, and then use the posterior method of the surrogate to compute the predictions. Unfortunately, I can't do the same with a DesirabilityObjective as surrogate model access via campaign.get_surrogate() is currently only supported for a single, untransformed target ([Source](https://emdgroup.github.io/baybe/stable/_modules/baybe/campaign.html#Campaign.get_surrogate)). _Is there another way to get the model predictions for a set of provided measurements?_ If not, I'm also willing to try implementing accessing the surrogate model for DesirabilityObjective. Does anyone know what the challenge is there? or could point me in the right direction? Thanks!
Scienfitz commented 1 month ago

closed via #386