有许多方法可以创建训练/测试甚至验证样本。

案例1:没有任何选项的经典方法train_test_split:

from sklearn.model_selection import train_test_split
train, test = train_test_split(df, test_size=0.3)

案例2:非常小的数据集(<500行):为了通过这种交叉验证获得所有行的结果。最后，您将对可用训练集的每一行都有一个预测。

from sklearn.model_selection import KFold
kf = KFold(n_splits=10, random_state=0)
y_hat_all = []
for train_index, test_index in kf.split(X, y):
    reg = RandomForestRegressor(n_estimators=50, random_state=0)
    X_train, X_test = X[train_index], X[test_index]
    y_train, y_test = y[train_index], y[test_index]
    clf = reg.fit(X_train, y_train)
    y_hat = clf.predict(X_test)
    y_hat_all.append(y_hat)

案例3a:用于分类的不平衡数据集。下面是情形1的等价解:

from sklearn.model_selection import train_test_split
X_train, X_test, y_train, y_test = train_test_split(X, y, stratify=y, test_size=0.3)

案例3b:用于分类的不平衡数据集。在情形2之后，等价解如下:

from sklearn.model_selection import StratifiedKFold
kf = StratifiedKFold(n_splits=10, random_state=0)
y_hat_all = []
for train_index, test_index in kf.split(X, y):
    reg = RandomForestRegressor(n_estimators=50, random_state=0)
    X_train, X_test = X[train_index], X[test_index]
    y_train, y_test = y[train_index], y[test_index]
    clf = reg.fit(X_train, y_train)
    y_hat = clf.predict(X_test)
    y_hat_all.append(y_hat)

案例4:你需要在大数据上创建一个训练/测试/验证集来调优超参数(60%训练，20%测试和20% val)。

from sklearn.model_selection import train_test_split
X_train, X_test_val, y_train, y_test_val = train_test_split(X, y, test_size=0.6)
X_test, X_val, y_test, y_val = train_test_split(X_test_val, y_test_val, stratify=y, test_size=0.5)

我会用K-fold交叉验证。 它已被证明比train_test_split提供更好的结果。下面是一篇关于如何在sklearn中应用它的文章，来自文档本身:https://scikit-learn.org/stable/modules/generated/sklearn.model_selection.KFold.html

这是我在需要分割数据帧时所写的。我考虑过使用上面安迪的方法，但不喜欢我不能精确地控制数据集的大小(例如，有时是79，有时是81，等等)。

def make_sets(data_df, test_portion):
    import random as rnd

    tot_ix = range(len(data_df))
    test_ix = sort(rnd.sample(tot_ix, int(test_portion * len(data_df))))
    train_ix = list(set(tot_ix) ^ set(test_ix))

    test_df = data_df.ix[test_ix]
    train_df = data_df.ix[train_ix]

    return train_df, test_df


train_df, test_df = make_sets(data_df, 0.2)
test_df.head()

如果你希望有一个数据帧和两个数据帧(不是numpy数组)，这应该可以做到:

def split_data(df, train_perc = 0.8):

   df['train'] = np.random.rand(len(df)) < train_perc

   train = df[df.train == 1]

   test = df[df.train == 0]

   split_data ={'train': train, 'test': test}

   return split_data

shuffle = np.random.permutation(len(df))
test_size = int(len(df) * 0.2)
test_aux = shuffle[:test_size]
train_aux = shuffle[test_size:]
TRAIN_DF =df.iloc[train_aux]
TEST_DF = df.iloc[test_aux]

在我的例子中，我想用特定的数字分割训练、测试和开发中的数据帧。我在这里分享我的解决方案

首先，为数据帧分配一个唯一的id(如果已经不存在的话)

import uuid
df['id'] = [uuid.uuid4() for i in range(len(df))]

以下是我的分割数字:

train = 120765
test  = 4134
dev   = 2816

分裂函数

def df_split(df, n):
    
    first  = df.sample(n)
    second = df[~df.id.isin(list(first['id']))]
    first.reset_index(drop=True, inplace = True)
    second.reset_index(drop=True, inplace = True)
    return first, second

现在分成培训，测试，开发

train, test = df_split(df, 120765)
test, dev   = df_split(test, 4134)