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rasbt--python-machine-learn…/code/bonus/nested_cross_validation.ipynb
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{
"cells": [
{
"cell_type": "markdown",
"metadata": {},
"source": [
"[Sebastian Raschka](http://sebastianraschka.com), 2015\n",
"\n",
"https://github.com/rasbt/python-machine-learning-book"
]
},
{
"cell_type": "markdown",
"metadata": {},
"source": [
"# Python Machine Learning - Code Examples"
]
},
{
"cell_type": "markdown",
"metadata": {},
"source": [
"# Bonus Material - An Extended Nested Cross-Validation Example"
]
},
{
"cell_type": "markdown",
"metadata": {},
"source": [
"For an explanation of nested cross-validation, please see:\n",
" \n",
"- Chapter 6, section \"Algorithm-selection-with-nested-cross-validation\" (open the code example via [nbviewer](http://nbviewer.ipython.org/github/rasbt/python-machine-learning-book/blob/master/code/ch06/ch06.ipynb#Algorithm-selection-with-nested-cross-validation))\n",
"- FAQ, section: [How do I evaluate a model?](https://github.com/rasbt/python-machine-learning-book/blob/master/faq/evaluate-a-model.md)"
]
},
{
"cell_type": "markdown",
"metadata": {},
"source": [
"<br>"
]
},
{
"cell_type": "markdown",
"metadata": {},
"source": [
"Note that the optional watermark extension is a small IPython notebook plugin that I developed to make the code reproducible. You can just skip the following line(s)."
]
},
{
"cell_type": "code",
"execution_count": 1,
"metadata": {
"collapsed": false
},
"outputs": [
{
"name": "stdout",
"output_type": "stream",
"text": [
"Sebastian Raschka \n",
"Last updated: 11/30/2015 \n",
"\n",
"CPython 3.5.0\n",
"IPython 4.0.0\n",
"\n",
"numpy 1.10.1\n",
"pandas 0.17.1\n",
"matplotlib 1.5.0\n",
"scikit-learn 0.17\n"
]
}
],
"source": [
"%load_ext watermark\n",
"%watermark -a 'Sebastian Raschka' -u -d -v -p numpy,pandas,matplotlib,scikit-learn"
]
},
{
"cell_type": "markdown",
"metadata": {},
"source": [
"### Dataset and Estimator Setup"
]
},
{
"cell_type": "code",
"execution_count": 2,
"metadata": {
"collapsed": false
},
"outputs": [],
"source": [
"from sklearn.grid_search import GridSearchCV\n",
"from sklearn.pipeline import Pipeline\n",
"from sklearn.preprocessing import StandardScaler\n",
"from sklearn.svm import SVC\n",
"from sklearn.datasets import load_iris\n",
"from sklearn.cross_validation import train_test_split\n",
"\n",
"\n",
"# load and split data\n",
"iris = load_iris()\n",
"X, y = iris.data, iris.target\n",
"X_train, X_test, y_train, y_test = train_test_split(X, y, test_size=0.20, random_state=42)\n",
"\n",
"# pipeline setup\n",
"cls = SVC(C=10.0, kernel='rbf', gamma=0.1, decision_function_shape='ovr')\n",
"kernel_svm = Pipeline([('std', StandardScaler()), \n",
" ('svc', cls)])\n",
"\n",
"# gridsearch setup\n",
"param_grid = [\n",
" {'svc__C': [1, 10, 100, 1000], \n",
" 'svc__gamma': [0.001, 0.0001], \n",
" 'svc__kernel': ['rbf']},\n",
" ]\n",
"\n",
"\n",
"# setup multiple GridSearchCV objects, 1 for each algorithm\n",
"\n",
"gs_svm = GridSearchCV(estimator=kernel_svm, \n",
" param_grid=param_grid, \n",
" scoring='accuracy', \n",
" n_jobs=-1, \n",
" cv=5, \n",
" verbose=0, \n",
" refit=True,\n",
" pre_dispatch='2*n_jobs')\n"
]
},
{
"cell_type": "markdown",
"metadata": {},
"source": [
"## A. Nested Crossvalidation - Quick Version"
]
},
{
"cell_type": "markdown",
"metadata": {},
"source": [
"Here, the `cross_val_function` runs the 5 outer loops, and the the `GridSearch` object (`gs`) peforms the hyperparameter optimization during the 5 inner loops."
]
},
{
"cell_type": "code",
"execution_count": 5,
"metadata": {
"collapsed": false
},
"outputs": [
{
"name": "stdout",
"output_type": "stream",
"text": [
"\n",
"Average Accuracy 0.95 +/- 0.06\n"
]
}
],
"source": [
"import numpy as np \n",
"\n",
"from sklearn.cross_validation import cross_val_score\n",
"scores = cross_val_score(gs_svm, X_train, y_train, scoring='accuracy', cv=5)\n",
"print('\\nAverage Accuracy %.2f +/- %.2f' % (np.mean(scores), np.std(scores)))"
]
},
{
"cell_type": "markdown",
"metadata": {},
"source": [
"## B. Nested Crossvalidation - Manual Approach Printing the Model Parameters"
]
},
{
"cell_type": "code",
"execution_count": 10,
"metadata": {
"collapsed": false
},
"outputs": [],
"source": [
"from sklearn.cross_validation import StratifiedKFold\n",
"from sklearn.metrics import accuracy_score\n",
"import numpy as np\n",
"\n",
"params = []\n",
"scores = []\n",
"\n",
"skfold = StratifiedKFold(y=y_train, n_folds=5, shuffle=False, random_state=1)\n",
"for train_idx, test_idx in skfold:\n",
" gs_svm.fit(X_train[train_idx], y_train[train_idx])\n",
" y_pred = gs_svm.predict(X_train[test_idx])\n",
" acc = accuracy_score(y_true=y_train[test_idx], y_pred=y_pred)\n",
" params.append(gs_svm.best_params_)\n",
" scores.append(acc)"
]
},
{
"cell_type": "code",
"execution_count": 11,
"metadata": {
"collapsed": false
},
"outputs": [
{
"name": "stdout",
"output_type": "stream",
"text": [
"SVM models:\n",
"1. Acc: 0.96 Params: {'svc__C': 100, 'svc__gamma': 0.001, 'svc__kernel': 'rbf'}\n",
"2. Acc: 1.00 Params: {'svc__C': 100, 'svc__gamma': 0.001, 'svc__kernel': 'rbf'}\n",
"3. Acc: 0.83 Params: {'svc__C': 1000, 'svc__gamma': 0.001, 'svc__kernel': 'rbf'}\n",
"4. Acc: 1.00 Params: {'svc__C': 100, 'svc__gamma': 0.001, 'svc__kernel': 'rbf'}\n",
"5. Acc: 0.96 Params: {'svc__C': 100, 'svc__gamma': 0.001, 'svc__kernel': 'rbf'}\n",
"\n",
"Average Accuracy 0.95 +/- 0.06\n"
]
}
],
"source": [
"print('SVM models:')\n",
"for idx, m in enumerate(zip(params, scores)):\n",
" print('%s. Acc: %.2f Params: %s' % (idx+1, m[1], m[0]))\n",
"print('\\nAverage Accuracy %.2f +/- %.2f' % (np.mean(scores), np.std(scores)))"
]
},
{
"cell_type": "markdown",
"metadata": {},
"source": [
"## Regular K-fold CV to Optimize the Model on the Complete Training Set"
]
},
{
"cell_type": "markdown",
"metadata": {},
"source": [
"Repeat the nested cross-validation for different algorithms. Then, pick the \"best\" algorithm (not the best model!). Next, use the complete training set to tune the best algorithm via grid search:"
]
},
{
"cell_type": "code",
"execution_count": 12,
"metadata": {
"collapsed": false
},
"outputs": [
{
"name": "stdout",
"output_type": "stream",
"text": [
"Best parameters {'svc__C': 100, 'svc__gamma': 0.001, 'svc__kernel': 'rbf'}\n"
]
}
],
"source": [
"gs_svm.fit(X_train, y_train)\n",
"print('Best parameters %s' % gs_svm.best_params_)"
]
},
{
"cell_type": "code",
"execution_count": 14,
"metadata": {
"collapsed": false
},
"outputs": [
{
"name": "stdout",
"output_type": "stream",
"text": [
"Training accuracy: 0.97\n",
"Test accuracy: 0.97\n",
"Parameters: {'svc__C': 100, 'svc__gamma': 0.001, 'svc__kernel': 'rbf'}\n"
]
}
],
"source": [
"train_acc = accuracy_score(y_true=y_train, y_pred=gs_svm.predict(X_train))\n",
"test_acc = accuracy_score(y_true=y_test, y_pred=gs_svm.predict(X_test))\n",
"print('Training accuracy: %.2f' % train_acc)\n",
"print('Test accuracy: %.2f' % test_acc)\n",
"print('Parameters: %s' % gs_svm.best_params_)"
]
}
],
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"display_name": "Python 3",
"language": "python",
"name": "python3"
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"file_extension": ".py",
"mimetype": "text/x-python",
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