層化 k 分割交差検証の実装

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StratifiedKFold を使った場合。kfold からどのような組み合わせか確認できる

import numpy as np
from sklearn.model_selection import StratifiedKFold

kfold = StratifiedKFold(n_splits=10, random_state=1).split(X_train, y_train)
scores = []

for k, (train, test) in enumerate(kfold):
    pipe_lr.fit(X_train[train], y_train[train])
    score = pipe_lr.score(X_train[test], y_train[test])
    scores.append(score)
    ## np.bincount で [0,0,1,1,1] => [2, 3] と回数を数える
    print('Fold: %2d, Class dist, : %s, Acc: %.3f' % (k+1, np.bincount(y_train[train]), score) )
    
print('\nCV accuracy: %.3f +/- %.3f' % (np.mean(scores), np.std(scores)))
Fold:  1, Class dist, : [256 153], Acc: 0.935
Fold:  2, Class dist, : [256 153], Acc: 0.935
Fold:  3, Class dist, : [256 153], Acc: 0.957
Fold:  4, Class dist, : [256 153], Acc: 0.957
Fold:  5, Class dist, : [256 153], Acc: 0.935
Fold:  6, Class dist, : [257 153], Acc: 0.956
Fold:  7, Class dist, : [257 153], Acc: 0.978
Fold:  8, Class dist, : [257 153], Acc: 0.933
Fold:  9, Class dist, : [257 153], Acc: 0.956
Fold: 10, Class dist, : [257 153], Acc: 0.956

CV accuracy: 0.950 +/- 0.014

kfold の中身を見てみる

kfold = StratifiedKFold(n_splits=10, random_state=1).split(X_train, y_train)
next(kfold)


===============
(array([ 45,  46,  47,  48,  50,  51,  52,  53,  54,  55,  56,  57,  58,
         59,  60,  61,  62,  63,  64,  65,  66,  67,  68,  69,  70,  71,
         72,  73,  74,  75,  76,  77,  78,  79,  80,  81,  82,  83,  84,
         85,  86,  87,  88,  89,  90,  91,  92,  93,  94,  95,  96,  97,
         98,  99, 100, 101, 102, 103, 104, 105, 106, 107, 108, 109, 110,
        111, 112, 113, 114, 115, 116, 117, 118, 119, 120, 121, 122, 123,
        124, 125, 126, 127, 128, 129, 130, 131, 132, 133, 134, 135, 136,
        137, 138, 139, 140, 141, 142, 143, 144, 145, 146, 147, 148, 149,
        150, 151, 152, 153, 154, 155, 156, 157, 158, 159, 160, 161, 162,
        163, 164, 165, 166, 167, 168, 169, 170, 171, 172, 173, 174, 175,
        176, 177, 178, 179, 180, 181, 182, 183, 184, 185, 186, 187, 188,
        189, 190, 191, 192, 193, 194, 195, 196, 197, 198, 199, 200, 201,
        202, 203, 204, 205, 206, 207, 208, 209, 210, 211, 212, 213, 214,
        215, 216, 217, 218, 219, 220, 221, 222, 223, 224, 225, 226, 227,
        228, 229, 230, 231, 232, 233, 234, 235, 236, 237, 238, 239, 240,
        241, 242, 243, 244, 245, 246, 247, 248, 249, 250, 251, 252, 253,
        254, 255, 256, 257, 258, 259, 260, 261, 262, 263, 264, 265, 266,
        267, 268, 269, 270, 271, 272, 273, 274, 275, 276, 277, 278, 279,
        280, 281, 282, 283, 284, 285, 286, 287, 288, 289, 290, 291, 292,
        293, 294, 295, 296, 297, 298, 299, 300, 301, 302, 303, 304, 305,
        306, 307, 308, 309, 310, 311, 312, 313, 314, 315, 316, 317, 318,
        319, 320, 321, 322, 323, 324, 325, 326, 327, 328, 329, 330, 331,
        332, 333, 334, 335, 336, 337, 338, 339, 340, 341, 342, 343, 344,
        345, 346, 347, 348, 349, 350, 351, 352, 353, 354, 355, 356, 357,
        358, 359, 360, 361, 362, 363, 364, 365, 366, 367, 368, 369, 370,
        371, 372, 373, 374, 375, 376, 377, 378, 379, 380, 381, 382, 383,
        384, 385, 386, 387, 388, 389, 390, 391, 392, 393, 394, 395, 396,
        397, 398, 399, 400, 401, 402, 403, 404, 405, 406, 407, 408, 409,
        410, 411, 412, 413, 414, 415, 416, 417, 418, 419, 420, 421, 422,
        423, 424, 425, 426, 427, 428, 429, 430, 431, 432, 433, 434, 435,
        436, 437, 438, 439, 440, 441, 442, 443, 444, 445, 446, 447, 448,
        449, 450, 451, 452, 453, 454]),
 array([ 0,  1,  2,  3,  4,  5,  6,  7,  8,  9, 10, 11, 12, 13, 14, 15, 16,
        17, 18, 19, 20, 21, 22, 23, 24, 25, 26, 27, 28, 29, 30, 31, 32, 33,
        34, 35, 36, 37, 38, 39, 40, 41, 42, 43, 44, 49]))
===============

cross_val_score を使った場合、効率よく検証できる

from sklearn.model_selection import cross_val_score
score = cross_val_score(estimator=pipe_lr, X=X_train, y=y_train, n_jobs=1)
print('CV accuracy scores: %s' % scores)
print('\nCV accuracy: %.3f +/- %.3f' % (np.mean(scores), np.std(scores)))
CV accuracy scores: [0.9347826086956522, 0.9347826086956522, 0.9565217391304348, 0.9565217391304348, 0.9347826086956522, 0.9555555555555556, 0.9777777777777777, 0.9333333333333333, 0.9555555555555556, 0.9555555555555556]

CV accuracy: 0.950 +/- 0.014