numpy - Python scikit-learn: Cannot clone object... as the constructor does not seem to set parameter

Question

I modified the BernoulliRBM class of scikit-learn to use groups of softmax visible units. In the process, I added an extra Numpy array visible_config as a class attribute which is initialized in the constructor as follows using:

self.visible_config = np.cumsum(np.concatenate((np.asarray([0]),
                                visible_config), axis=0))

where visible_config is a Numpy array passed as an input to the constructor. The code runs without errors when I directly use the fit() function to train the model. However, when I use the GridSearchCV structure, I get the following error

Cannot clone object SoftmaxRBM(batch_size=100, learning_rate=0.01, n_components=100, n_iter=100,
  random_state=0, verbose=True, visible_config=[ 0 21 42 63]), as the constructor does not seem to set parameter visible_config

This seems to be a problem in the equality check between the instance of the class and its copy created by sklearn.base.clone because visible_config does not get copied correctly. I'm not sure how to fix this. It says in the documentation that sklearn.base.clone uses a deepcopy(), so shouldn't visible_config also get copied? Can someone please explain what I can try here? Thanks!

Answer 1

Without seeing your code, it's hard to tell exactly what goes wrong, but you are violating a scikit-learn API convention here. The constructor in an estimator should only set attributes to the values the user passes as arguments. All computation should occur in fit, and if fit needs to store the result of a computation, it should do so in an attribute with a trailing underscore (_). This convention is what makes clone and meta-estimators such as GridSearchCV work.

(*) If you ever see an estimator in the main codebase that violates this rule: that would be a bug, and patches are welcome.