A Python machine learning package for grid search hyper-parameter optimization using a validation set (defaults to cross validation when no validation set is available). This package works for Python 2.7+ and Python 3+, for any model (classification and regression), and runs in parallel on all threads on your CPU automatically.
scikit-learn
provides a package for grid-search hyper-parameter optimization **using cross-validation** on the training dataset. Unfortunately, cross-validation is impractically slow for large datasets and fails for small datasets due to the lack of data in each class needed to properly train each fold. Instead, we use a constant validation set to optimize hyper-parameters -- the hypopt
package makes this fast (distributed on all CPU threads) and easy (one line of code).
hypopt.model_selection.fit_model_with_grid_search
supports grid search hyper-parameter optimization when you already have a validation set , eliminating the extra hours of training time required when using cross-validation. However, when no validation set is given, it defaults to using cross-validation on the training set. This allows you to alows use hypopt
anytime you need to do hyper-parameter optimization with grid-search, regardless of whether you use a validation set or cross-validation.
Python 2.7, 3.4, 3.5, and 3.6 are supported.
Stable release:
$ pip install hypopt
Developer (unstable) release:
$ pip install git+https://github.com/cgnorthcutt/hypopt.git
To install the codebase (enabling you to make modifications):
$ conda update pip # if you use conda $ git clone https://github.com/cgnorthcutt/hypopt.git $ cd hypopt $ pip install -e .
# Assuming you already have train, test, val sets and a model.
from hypopt import GridSearch
param_grid = [
{'C': [1, 10, 100], 'kernel': ['linear']},
{'C': [1, 10, 100], 'gamma': [0.001, 0.0001], 'kernel': ['rbf']},
]
# Grid-search all parameter combinations using a validation set.
gs = GridSearch(model = SVR(), param_grid = param_grid)
gs.fit(X_train, y_train, X_val, y_val)
print('Test Score for Optimized Parameters:', gs.score(X_test, y_test))
The default metric is the the model.score()
function, so in the previous example SVR().score()
is optimized, which defaults to accuracy.
It's easy to use a different scoring metric using the scoring
parameter in hypopt.GridSearch.fit()
:
# This will use f1 score as the scoring metric that you optimize.
gs.fit(X_train, y_train, X_val, y_val, scoring='f1')
- For classification, hypopt supports these string-named metrics: 'accuracy', 'brier_score_loss', 'average_precision', 'f1', 'f1_micro', 'f1_macro', 'f1_weighted', 'neg_log_loss', 'precision', 'recall', or 'roc_auc'.
- For regression, hypopt supports: "explained_variance", "neg_mean_absolute_error", "neg_mean_squared_error", "neg_mean_squared_log_error", "neg_median_absolute_error", "r2".
You can also create your own metric your_custom_score_func(y_true, y_pred)
by wrapping it into an object using sklearn.metrics.make_scorer like:
from sklearn.metrics import make_scorer
scorer = make_scorer(your_custom_scoring_func)
opt.fit(X_train, y_train, X_val, y_val, scoring=scorer)
All of the features of the hypopt
package work with any model. Yes, any model. Feel free to use PyTorch, Tensorflow, caffe2, scikit-learn, mxnet, etc. If you use a scikit-learn model, all hypopt
methods will work out-of-the-box. It's also easy to use your favorite model from a non-scikit-learn package, just wrap your model into a Python class that inherets the sklearn.base.BaseEstimator
. Here's an example for a generic classifier:
from sklearn.base import BaseEstimator
class YourModel(BaseEstimator): # Inherits sklearn base classifier
def __init__(self, ):
pass
def fit(self, X, y, sample_weight = None):
pass
def predict(self, X):
pass
def score(self, X, y, sample_weight = None):
pass
# Inherting BaseEstimator gives you these for free!
# So if you inherit, there's no need to implement these.
def get_params(self, deep = True):
pass
def set_params(self, **params):
pass