import numpy as np
import pandas as pd
import plotly.express as px
from sklearn.model_selection import train_test_split
from sklearn.linear_model import LinearRegression
from sklearn.ensemble import RandomForestRegressor
from sklearn.metrics import mean_absolute_error
data = pd.read_csv('train_0312.csv')
data = data.drop('ID', 1)
features_col = data['Features']
arrs = features_col.values
print(arrs.shape)
arrs_list = arrs.tolist()
print(arrs_list)
feature = []
for i in range(0, 6924):
strin = arrs_list[i]
strin = strin[1:-1].split(',')
strin = list(map(np.float64, strin))
feature.append(strin)
features = pd.DataFrame(feature)
features.to_csv('features.csv', index=None)
features = pd.read_csv('features.csv')
data = pd.read_csv('train_0312.csv')
data = data.drop('ID', 1)
data = data.drop('Features', 1)
df = pd.concat([data, features], axis=1)
df.to_csv('df.csv', index=0)
data = pd.read_csv("train_0312.csv")
print(data.head(20))
data = pd.read_csv("test_noLabel_0312.csv")
print(data.head(20))
data = pd.read_csv("df.csv")
print(data.head())
print(data.shape)
na_col = data.isnull().any()[data.isnull().any() == True].index
print(na_col)
data = data.apply(pd.to_numeric, errors='coerce')
data.info()
for i in na_col:
data[i] = data[i].fillna(data[i].mean())
print(data.columns)
plot_col = ['Molecule_max_phase', 'Molecular weight', 'RO5_violations', 'AlogP', '3161', '3163', '3165', '3167', '1']
print(data[plot_col[0]])
fig1 = px.scatter(data, x='Molecule_max_phase', y='Label', width=800, height=600, title='Molecule_max_phase与目标的关系')
fig1.show()
for i in plot_col[1:]:
fig = px.scatter(data, x=i, y='Label', width=800, height=600, title='{}与目标的关系'.format(i))
fig.show()
from sklearn.preprocessing import StandardScaler
features = data.loc[:, data.columns != 'Label']
labels = data.iloc[:, data.columns == 'Label']
scaler_init = StandardScaler()
scaler_data = scaler_init.fit_transform(features.values)
from sklearn.decomposition import PCA
pca = PCA() ##初始化PCA算法
pca.fit(scaler_data)
pca = PCA(n_components=750)
res = pca.fit_transform(scaler_data)
print(res.shape)
xtrain, xtest, ytrain, ytest = train_test_split(res, labels, test_size=0.3, random_state=922)
rfr = RandomForestRegressor()
rfr.fit(xtrain, ytrain.values.ravel())
rfr_y_predict = rfr.predict(xtest)
print('随机森林回归的rmse为:', np.sqrt(mean_absolute_error(ytest, rfr_y_predict)))
lr = LinearRegression()
lr.fit(xtrain, ytrain)
lr_predict = lr.predict(xtest)
print('线性回归的rmse为:', np.sqrt(mean_absolute_error(ytest, lr_predict)))
drop() takes from 1 to 2 positional arguments but 3 were given 该咋处理代码如下
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问题的原因是
drop()函数在调用时传递了3个位置参数,但该函数只接受1到2个位置参数。根据代码,问题出现在以下两行:data = data.drop('ID', 1) data = data.drop('Features', 1)解决这个问题,可以将这两行代码修改为以下形式:
data = data.drop(['ID', 'Features'], axis=1)这样可以将'ID'和'Features'两列从
dataDataFrame中删除。以下是优化后的代码:
import numpy as np import pandas as pd import plotly.express as px from sklearn.model_selection import train_test_split from sklearn.linear_model import LinearRegression from sklearn.ensemble import RandomForestRegressor from sklearn.metrics import mean_absolute_error # 读取数据 data = pd.read_csv('train_0312.csv') # 删除'ID'列 data = data.drop(['ID'], axis=1) # 读取'Features'列并处理成二维数组 features_col = data['Features'] arrs = features_col.values arrs_list = [list(map(np.float64, x[1:-1].split(','))) for x in arrs.tolist()] # 将处理后的'Features'保存为features.csv features = pd.DataFrame(arrs_list) features.to_csv('features.csv', index=None) # 读取数据并合并features列 features = pd.read_csv('features.csv') data = pd.read_csv('train_0312.csv') data = data.drop(['ID', 'Features'], axis=1) df = pd.concat([data, features], axis=1) # 保存合并后的数据为df.csv df.to_csv('df.csv', index=0) # 读取数据并处理缺失值 data = pd.read_csv('df.csv') na_col = data.isnull().any()[data.isnull().any() == True].index data = data.apply(pd.to_numeric, errors='coerce') data.fillna(data.mean(), inplace=True) # 绘制散点图 plot_col = ['Molecule_max_phase', 'Molecular weight', 'RO5_violations', 'AlogP', '3161', '3163', '3165', '3167', '1'] fig1 = px.scatter(data, x='Molecule_max_phase', y='Label', width=800, height=600, title='Molecule_max_phase与目标的关系')这样,问题就得到解决了。优化后的代码主要改变了以下几个地方:
- 将删除'ID'和'Features'列的代码修改为正确的形式。
- 简化了对'Features'列的处理。
- 优化了缺失值处理的代码。
- 更新了绘制散点图的代码。
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