可以使用~(波浪符)排除使用df.sample()采样的行，让pandas单独处理索引的采样和过滤，以获得两个集。

train_df = df.sample(frac=0.8, random_state=100)
test_df = df[~df.index.isin(train_df.index)]

我认为你还需要一个副本，而不是一个切片的数据框架，如果你想以后添加列。

msk = np.random.rand(len(df)) < 0.8
train, test = df[msk].copy(deep = True), df[~msk].copy(deep = True)

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]

对我来说，更优雅一点的方法是创建一个随机列，然后按它进行分割，这样我们就可以得到一个符合我们需求的随机分割。

def split_df(df, p=[0.8, 0.2]):
import numpy as np
df["rand"]=np.random.choice(len(p), len(df), p=p)
r = [df[df["rand"]==val] for val in df["rand"].unique()]
return r

不需要转换为numpy。只要用pandas df来做拆分，它就会返回一个pandas df。

from sklearn.model_selection import train_test_split

train, test = train_test_split(df, test_size=0.2)

如果你想把x和y分开

X_train, X_test, y_train, y_test = train_test_split(df[list_of_x_cols], df[y_col],test_size=0.2)

如果要分割整个df

X, y = df[list_of_x_cols], df[y_col]

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)