Hi Matthias.
As far as I know, the main goal for TPE was to support tree-structured
parameter spaces. I am not sure we want to go there yet because of the
more complex API.
On non-tree structured spaces, I think TPE performed worse than SMAC and GP.
With regard to your code: There might be touchy legal issues involved if
you didn't publish your code and we base our implementation on it.
If your code is public and BSD / MIT licensed, it would probably be much
safer. Why don't you just push your code under a permissive license?
Thank you for providing your benchmarks, they might be quite helpful.
Cheers,
Andy
On 03/26/2015 11:17 AM, Matthias Feurer wrote:
Dear Christof, dear scikit-learn team,
This is a great idea, I highly encourage your idea to integrate
Bayesian Optimization into scikit-learn since automatically
configuring scikit-learn is quite powerful. It was done by the three
winning teams of the first automated machine learning competition:
https://sites.google.com/a/chalearn.org/automl/
I am writing this e-mail because our research group on learning,
optimization and automated algorithm design
(http://aad.informatik.uni-freiburg.de/) is working on very similar
things which might be useful in this context. Some people in our lab
(together with some people from other universities)developed a
framework for robust Bayesian optimization with minimal external
dependencies. It currently depends on GPy, but this dependency could
be easily replaced by the scikit-learn GP. It is probably not as
leightweight as you want to have it for scikit-learn, but you might
want to have a look at the source code. I will provide a link as soon
as the project is public (which is soon). In the meantime, I can grant
read-access to those who are interested. It might be helpful for you
to have look at the structure of the module.
Besides these remarks, I think that using a GP is a good way to tune
the few hyperparameters of a single model. Another remark: Instead of
comparing GPSearchCV to spearmint only, you should also consider the
TPE algorithm implemented in hyperopt
(https://github.com/hyperopt/hyperopt). You could consider the
following benchmarks:
1. Together with a fellow student I implemented a library called
HPOlib, which provides a few benchmarks for hyperparameter
optimization (for example some from the 2012 spearmint paper):
https://github.com/automl/HPOlib It is further described in this
paper: http://automl.org/papers/13-BayesOpt_EmpiricalFoundation.pdf
2. If you are looking for a small pipeline, you can use
sklearn.feature_selection.SelectPercentile with a fixed scoring
function together with a classification algorithm. It adds a single
hyperparameter which should be a good fit for the GP.
Best regards,
Matthias
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