Add COBYQA optimizer #153
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Add COBYQA optimizer #153
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Previously, there were two interfaces in the `OptimizationProblem` for calling evaluation functions (e.g. objectives): one for evaluating individuals, and one for populations. To simplify the code base, these two methods were now unified. To ensure backward compatibility, a 1D-Array is returned if a single individual is passed to the function.
Co-authored-by: r.jaepel <[email protected]>
Previously, the cadet path set in Cadet(install_path="path") was not inherited into cadet instances created from the run() method.
Fix and extend tests about .calculate_interstitial_rt/velocity
Previously, this was required because CADET-Core was not setting the PATH correctly. Now, this can lead to inconsistent behaviour. Note, this requires CADET>4.4.0
Recently, the option to (not) plot the time axis using minutes was introduced. This commit fixes some methods that were not properly implemented. Moreover, the name of the flag was changed from `use_minutes` to `x_axis_in_minutes` to make clear that only plotting is affected and not other parameter values (e.g. start and end times).
Co-authored-by: daklauss <[email protected]>
This has been implemented, hoping to address issues with COBYLA. Maybe we don't really need this once precision is enabled?
…face SLSQP and COBYLA currently do not support scipy's new callback interface.
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This PR adds the
COBYQAoptimizer which was recently added to SciPy, in v1.14.To do
x0is infeasible with respect to some inequality constraint even though it is within bounds." (see #155)Open question
This PR also updates the callback function for scipy optimizers. I was hoping that this would include the current best point instead of simply the latest point. This would remove the need to determine the optimal points ourselves using the
ParetoFrontclass. However, this is not how it's implemented inCOBYQA(see here).Note, this interface is not supported by
COBYLAandSLSQP, so these optimizers would have to be removed from CADET-Process when using the newer interface. SinceCOBYQAcan replaceCOBYLA, I don't mind it going butSLSQPmight be handy to keep around. So should we revert these changes (for now)?Edit: Instead of removing
COBYLAandSLSQP, provide both interfaces and switch depending on the selected method.