Generating Difficult Classification Data Sets using scikit-learn - scikit-learn

I am trying to generate a range of synthetic data sets using make_classification in scikit-learn, with varying sample sizes, prevalences (i.e., proportions of the positive class), and accuracies. Varying the sample size and prevalence is fairly straightforward, but I am having difficult generating any data sets that have less than 50% accuracy using logistic regression. Playing around with the number of informative columns, the number of clusters per class, and the flip_y parameter (which randomly flips the class of a given proportion of observations) seem to reduce the accuracy, but not as much as I would like. Is there a way to vary the parameters of make_classification in such a way to reduce this further (e.g., to 20%)?
Thanks!

Generally, the combination of a fairly low number of n_samples, a high probability of randomly flipping the label flip_y and a large number of n_classes should get you where you want.
You can try the following:
from sklearn.cross_validation import cross_val_score
from sklearn.datasets import make_classification
from sklearn.linear_model import LogisticRegression
lr = LogisticRegression()
# 2-class problem
X, y = make_classification(n_samples=100, n_informative=2, flip_y=0.8, random_state=42)
cross_val_score(estimator=lr, X=X, y=y, scoring='accuracy', cv=10)
# Output
array([ 0.54545455, 0.27272727, 0.45454545, 0.2 , 0.4 ,
0.5 , 0.7 , 0.55555556, 0.55555556, 0.44444444])
# 8-class problem
X, y = make_classification(n_samples=100, n_classes=8, n_informative=4, n_clusters_per_class=1, flip_y=0.5, random_state=42)
cross_val_score(estimator=lr, X=X, y=y, scoring='accuracy', cv=5)
# Output
array([ 0.16666667, 0.19047619, 0.15 , 0.16666667, 0.29411765])

In case you go with binary classification only, you should carefully choose flip_y. If, for example, you choose flip_y to be high, that means you flip almost every label, hence making the problem easier!. (the consistency is preserved)
Hence, in binary classification, flip_y is really min(flip_y,1-flip_y), and setting it as 0.5 will make the classification really hard.
Another thing you can do: after creating the data, do dimension reduction, using PCA:
from sklearn.cross_validation import cross_val_score
from sklearn.datasets import make_classification
from sklearn.decomposition import PCA
from sklearn.linear_model import LogisticRegression
clf = LogisticRegression()
X, y = make_classification(n_samples=10000, n_informative=18,n_features=20, flip_y=0.15, random_state=217)
print cross_val_score(estimator=clf, X=X, y=y, scoring='accuracy', cv=4)
#prints [ 0.80287885 0.7904 0.796 0.78751501]
pca = PCA(n_components=10)
X = pca.fit_transform(X)
print cross_val_score(estimator=clf, X=X, y=y, scoring='accuracy', cv=4)
#prints [ 0.76409436 0.7684 0.7628 0.75830332]
you can reduce n_components to get even poorer results, while having the original number of features:
pca = PCA(n_components=1)
X = pca.fit_transform(X)
X = np.concatenate((X, np.random.rand(X.shape[0],19)),axis=1) #concatenating random features
cross_val_score(estimator=clf, X=X, y=y, scoring='accuracy', cv=10)
print cross_val_score(estimator=clf, X=X, y=y, scoring='accuracy', cv=4)
#prints [ 0.5572 0.566 0.5552 0.5664]
Getting less than 50% accuracy is 'hard' - even when you take random vectors, the expectancy of accuracy is still 0.5:
X = np.random.rand(10000,20)
print np.average(cross_val_score(estimator=clf, X=X, y=y, scoring='accuracy', cv=100))
#prints 0.501489999
So 55% accuracy is considered very low.

Related

Different results using OneVsRestClassifier(KNeighborsClassifier(n_neighbors=2)) compared to KNeighborsClassifier(n_neighbors=2)

I'm implementing a multi-class classifier and I'm getting different results when wrapping KNN in a multi-class classifier.
Unsure why as I understood KNN worked for multiclass already?
y = rock_df['Sample_type']
X = rock_df[col_list]
def model_eval(model, X,y):
""" Function implements classifier model on X and y with a 0.33 test hold out, stratified by y and returns accuracy and standard deviation
Inputs:
model: The ML model to be tested
X: the cleaned and preprocessed data (normalized, and NAN dealt with)
y: Target labels for input data X
"""
#Split train /test
X_train, X_test, y_train, y_test = train_test_split( X, y, test_size=0.33, random_state=42, stratify = y)
n = X_test.size
#Fit model
model.fit(X_train, y_train)
y_pred = model.predict(X_test)
#Scoring
confusion_matrix(y_test,y_pred)
balanced_accuracy_score( y_test, y_pred)
scores = cross_val_score(model, X, y, cv=3)
mean= scores.mean()
sd = scores.std()
print("For {} : {:.1%} accuracy on cross validation, with a standard deviation of {:.1%}".format(model, mean, sd) )
# binomial confidence interval - 95% -- confirm difference with SD
#interval = 1.96 * sqrt( (mean * (1 - mean)) /n )
#print('Confidence Interval: {:.3%}'.format(interval) )
#return balanced_accuracy_score, confusion_matrix
model = OneVsRestClassifier(KNeighborsClassifier(n_neighbors=2))
model_eval(model, X,y)
model = KNeighborsClassifier(n_neighbors=2)
model_eval(model, X,y)
First model I get:
For OneVsRestClassifier(estimator=KNeighborsClassifier(n_neighbors=2)) : 78.6% accuracy on cross validation, with a standard deviation of 5.8%
second:
For KNeighborsClassifier(n_neighbors=2) : 83.3% accuracy on cross validation, with a standard deviation of 8.9%
thanks
It is OK that you have different results. KNeighborsClassifier doesn't employ one-vs-rest strategy; majority vote works with 3 and more classes and there is no need to have OvR in the original implementation. But trying OneVsRestClassifier might be useful as well. I believe that generally decision boundaries will be different. Here I played with Iris dataset to get decision boundaries using KNeighborsClassifier(n_neighbors=5) and OneVsRestClassifier(KNeighborsClassifier(n_neighbors=5)):

visualize predict_proba for multiclass classification

With model.predict_proba(X) I just get a big array with lots of numbers.
I am looking for a way to visualize the probabilities of a classification for all classes (in my case 13). I use a RandomForestClassifier.
Any recommendation?
Heatmaps would be nice way to visualise a 2D matrix. Of-course, if the number of records in your X is large, it is hard to visualize everything in a single go. Probably you have to sample records otherwise. Here I'm showing the visuals for first 10 records, labelling the predicted classes if the predicted probability is greater than 0.1.
Check out this example:
from sklearn.datasets import make_classification
from sklearn.ensemble import RandomForestClassifier
from sklearn.linear_model import LogisticRegression
from sklearn.model_selection import train_test_split
import matplotlib.pyplot as plt
import numpy as np
X, y = make_classification(n_samples=10000,n_features=40,
n_informative=30, n_classes=13,
n_redundant=0, n_clusters_per_class=1,
random_state=42)
X_train, X_test, y_train, y_test = train_test_split(X,y, random_state=42)
forest = RandomForestClassifier(n_estimators=10, random_state=42).fit(X_train, y_train)
pred = forest.predict_proba(X_test)[:10]
fig, ax = plt.subplots(figsize= (20,8))
im = ax.imshow(pred, cmap='Blues')
ax.grid(axis='y')
ax.set_xticklabels([])
ax.set_yticks(np.arange(pred.shape[0]))
plt.ylabel('Records', fontsize='xx-large')
plt.xlabel('Classes', fontsize='xx-large')
fig.colorbar(im, ax=ax, fraction=0.046, pad=0.04)
for i in range(pred.shape[0]):
for j in range(13):
if pred[i, j] >.1:
ax.text(j, i, j,
ha="center", va="center", color="w", fontsize=30)
If your input space is 2D, or if you use some dimensionality reduction technique to embed it in 2D, you could plot the multiclass decision surface:
# generate toy data
X, y = sklearn.datasets.make_blobs(n_samples=1000, centers=13)
# fit classifier
clf = sklearn.ensemble.RandomForestClassifier().fit(X, y)
# create decision surface
xx, yy = np.meshgrid(np.linspace(-13, 12, 100),
np.linspace(-13, 12, 100))
Z = clf.predict(np.array([xx.ravel(), yy.ravel()]).T)
Z = Z.reshape(xx.shape)
fig, ax = plt.subplots(1,1, figsize=(8,8))
ax.scatter(X[:,0], X[:,1], c=y, cmap='Paired')
ax.contourf(xx, yy, Z, cmap='Paired', alpha=0.5)
Note this is only shading per label (predict not predict_proba) but you may be able to extend this to shade differently based on the probability.

ML Model not predicting properly

I am trying to create an ML model (regression) using various techniques like SMR, Logistic Regression, and others. With all the techniques, I'm not able to get efficiency more than 35%. Here's what I'm doing:
X_data = [X_data_distance]
X_data = np.vstack(X_data).astype(np.float64)
X_data = X_data.T
y_data = X_data_orders
#print(X_data.shape)
#print(y_data.shape)
#(10000, 1)
#(10000,)
X_train, X_test, y_train, y_test = train_test_split(X_data, y_data, test_size=0.33, random_state=42)
svr_rbf = SVC(kernel= 'rbf', C= 1.0)
svr_rbf.fit(X_train, y_train)
plt.plot(X_data_distance, svr_rbf.predict(X_data), color= 'red', label= 'RBF model')
For the plot, I'm getting the following:
I have tried various parameter tuning, changing the parameter C, gamma even tried different kernels, but nothing changes the accuracy. Even tried SVR, Logistic regression instead of SVC, but nothing helps. I tried different scaling for training input data like StandardScalar() and scale().
I used this as a reference
What should I do?
As a rule of thumb, we usually follow this convention:
For little number of features, go with Logistic Regression.
For a lot of features but not a lot of data, go with SVM.
For a lot of features and a lot of data, go with Neural Network.
Because your dataset is a 10K cases, it'd be better to use Logistic Regression because SVM will take forever to finish!.
Nevertheless, because your dataset contains a lot of classes, there is a chance of classes imbalance in your implementation. Thus I tried to workaround this problem via using the StratifiedKFold instead of train_test_split which doesn't guarantee balanced classes in the splits.
Moreover, I used GridSearchCV with StratifiedKFold to perform Cross-Validation in order to tune the parameters and try all different optimizers!
So the full implementation is as follows:
import pandas as pd
from sklearn.linear_model import LogisticRegression
from sklearn.metrics import accuracy_score
from sklearn.model_selection import GridSearchCV, StratifiedKFold, StratifiedShuffleSplit
import numpy as np
def getDataset(path, x_attr, y_attr):
"""
Extract dataset from CSV file
:param path: location of csv file
:param x_attr: list of Features Names
:param y_attr: Y header name in CSV file
:return: tuple, (X, Y)
"""
df = pd.read_csv(path)
X = X = np.array(df[x_attr]).reshape(len(df), len(x_attr))
Y = np.array(df[y_attr])
return X, Y
def stratifiedSplit(X, Y):
sss = StratifiedShuffleSplit(n_splits=1, test_size=0.2, random_state=0)
train_index, test_index = next(sss.split(X, Y))
X_train, X_test = X[train_index], X[test_index]
Y_train, Y_test = Y[train_index], Y[test_index]
return X_train, X_test, Y_train, Y_test
def run(X_data, Y_data):
X_train, X_test, Y_train, Y_test = stratifiedSplit(X_data, Y_data)
param_grid = {'C': [0.01, 0.1, 1, 10, 100, 1000], 'penalty': ['l1', 'l2'],
'solver':['newton-cg', 'lbfgs', 'liblinear', 'sag', 'saga']}
model = LogisticRegression(random_state=0)
clf = GridSearchCV(model, param_grid, cv=StratifiedKFold(n_splits=10))
clf.fit(X_train, Y_train)
print(accuracy_score(Y_train, clf.best_estimator_.predict(X_train)))
print(accuracy_score(Y_test, clf.best_estimator_.predict(X_test)))
X_data, Y_data = getDataset("data - Sheet1.csv", ['distance'], 'orders')
run(X_data, Y_data)
Despite all the attempts with all different algorithms, the accuracy didn't exceed 36%!!.
Why is that?
If you want to make a person recognize/classify another person by their T-shirt color, you cannot say: hey if it's red that means he's John and if it's red it's Peter but if it's red it's Aisling!! He would say "really, what the hack is the difference"?!!.
And that's exactly what is in your dataset!
Simply, run print(len(np.unique(X_data))) and print(len(np.unique(Y_data))) and you'll find that the numbers are so weird, in a nutshell you have:
Number of Cases: 10000 !!
Number of Classes: 118 !!
Number of Unique Inputs (i.e. Features): 66 !!
All classes are sharing hell a lot of information which make it impressive to have even up to 36% accuracy!
In other words, you have no informative features which lead to a lack in the uniqueness of each class model!
What to do?
I believe you are not allowed to remove some classes, so the only two solutions you have are:
Either live with this very valid result.
Or add more informative feature(s).
Update
Having you provided same dataset but with more features (i.e. complete set of features), the situation now is different.
I recommend you do the following:
Pre-process your dataset (i.e. prepare it by imputing missing values or deleting rows containing missing values, and converting dates to some unique values (example) ...etc).
Check what features are most important to the Orders Classes, you can achieve that by using of Forests of Trees to evaluate the importance of features. Here is a complete and simple example of how to do that in Scikit-Learn.
Create a new version of the dataset but this time hold Orders as the Y response, and the above-found features as the X variables.
Follow the same GrdiSearchCV and StratifiedKFold procedure that I showed you in the implementation above.
Hint
As per mentioned by Vivek Kumar in the comment below, stratify parameter has been added in Scikit-learn update to the train_test_split function.
It works by passing the array-like ground truth, so you don't need my workaround in the function stratifiedSplit(X, Y) above.

What does "n_features" and "centers" parameters mean in make_blobs in SciKit?

I have gone through the documents about n_features and centers parameters in make_blobs function in SciKit. However, every explanation I've seen doesn't sound so clear to me since I am new to SciKit and Mathematics. I am wondering what do these two parameters: n_features, centers do in make_blobs function as below.
make_blobs(n_samples=50, n_features=2, centers=2, random_state=75)
Thank you in advance.
The make_blobs function is a part of sklearn.datasets.samples_generator. All methods in the package, help us to generate data samples or datasets. In machine learning, which scikit-learn all about, datasets are used to evaluate performance of machine learning models. This is an example on how to evaluate a KNN classifier:
from sklearn.datasets.samples_generator import make_blobs
from sklearn.neighbors import KNeighborsClassifier
from sklearn.model_selection import train_test_split
from sklearn.metrics import accuracy_score
X, y = make_blobs(n_features=2, centers=3)
X_train, X_test, y_train, y_test = train_test_split(X, y)
model = KNeighborsClassifier()
model.fit(X_train, y_train)
y_pred = model.predict(X_test)
acc = accuracy_score(y_test, y_pred) * 100
print('accuracy: {}%'.format(acc))
Now, as you mentioned, n_features determined how many columns or features the generated datasets will have. In machine learning, features correspond to numerical characteristics data. For example, in Iris Dataset, there are 4 features (Sepal Length, Sepal Width, Petal Length and Petal Width) so there are 4 numerical columns in the dataset. So by increasing n_features in make_blobs, we are adding more features hence increase the complexity of generated dataset.
As for the centers, it is easier to understand by visualizing the generated dataset. I use matplotlib to help us on that:
from sklearn.datasets.samples_generator import make_blobs
import matplot
# plot 1
X, y = make_blobs(n_features=2, centers=1)
plt.figure()
plt.scatter(X[:, 0], X[:, 1], c=y)
plt.savefig('centers_1.png')
plt.title('centers = 1')
# plot 2
X, y = make_blobs(n_features=2, centers=2)
plt.figure()
plt.scatter(X[:, 0], X[:, 1], c=y)
plt.title('centers = 2')
# plot 3
X, y = make_blobs(n_features=2, centers=3)
plt.figure()
plt.scatter(X[:, 0], X[:, 1], c=y)
plt.title('centers = 3')
plt.show()
If you run the code above you can easily see that centers corresponds to number of classes generated in the data. It uses centers as a term because samples that belong to same class, tend to gather close to a center (coordinate).

scikit-learn LogisticRegressionCV: best coefficients

I am trying to understand how the best coefficients are calculated in a logistic regression cross-validation, where the "refit" parameter is True.
If I understand the docs correctly, the best coefficients are the result of first determining the best regularization parameter "C", i.e., the value of C that has the highest average score over all folds. Then, the best coefficients are simply the coefficients that were calculated on the fold that has the highest score for the best C. I assume that if the maximum score is achieved by several folds, the coefficients of these folds would be averaged to give the best coefficients (I didn't see anything on how this case is handled in the docs).
To test my understanding, I determined the best coefficients in two different ways:
directly from the coef_ attribute of the fitted model, and
from the coefs_paths attribute, which contains the path of the coefficients obtained during cross-validating across each fold and then across each C.
The results I get from 1. and 2. are similar but not identical, so I was hoping someone could point out what I am doing wrong here.
Thanks!
An example to demonstrate the issue:
from sklearn.datasets import load_breast_cancer
import numpy as np
import pandas as pd
from sklearn.linear_model import LogisticRegressionCV
from sklearn.preprocessing import StandardScaler
from sklearn.model_selection import train_test_split
# Set parameters
n_folds = 10
C_values = [0.001, 0.01, 0.05, 0.1, 1., 100.]
# Load and preprocess data
cancer = load_breast_cancer()
X, y = cancer.data, cancer.target
X_train, X_test, y_train, y_test = train_test_split(X, y, random_state=0)
X_train_scaled = StandardScaler().fit_transform(X_train)
# Fit model
clf = LogisticRegressionCV(Cs=C_values, cv=n_folds, penalty='l1',
refit=True, scoring='roc_auc',
solver='liblinear', random_state=0,
fit_intercept=False)
clf.fit(X_train_scaled, y_train)
########################
# Get and plot coefficients using method 1
########################
coefs1 = clf.coef_
coefs1_series = pd.Series(coefs1.ravel(), index=cancer['feature_names'])
coefs1_series.sort_values().plot(kind="barh")
########################
# Get and plot coefficients using method 2
########################
# mean of scores of class "1"
scores = clf.scores_[1]
mean_scores = np.mean(scores, axis=0)
# Get index of the C that has the highest average score across all folds
best_C_idx = np.where(mean_scores==np.max(mean_scores))[0][0]
# Get index (here: indices) of the folds with highest scores for the
# best C
best_folds_idx = np.where(scores[:, best_C_idx]==np.max(scores[:, best_C_idx]))[0]
paths = clf.coefs_paths_[1] # has shape (n_folds, len(C_values), n_features)
coefs2 = np.squeeze(paths[best_folds_idx, best_C_idx, :])
coefs2 = np.mean(coefs2, axis=0)
coefs2_series = pd.Series(coefs2.ravel(), index=cancer['feature_names'])
coefs2_series.sort_values().plot(kind="barh")
I think this article answers your question: https://orvindemsy.medium.com/understanding-grid-search-randomized-cvs-refit-true-120d783a5e94.
The key point is the refit parameter of LogisticRegressionCV.
According to sklearn (https://scikit-learn.org/stable/modules/generated/sklearn.linear_model.LogisticRegressionCV.html)
refitbool, default=True
If set to True, the scores are averaged across all folds, and the coefs and the C that corresponds to the best score is taken, and a final refit is done using these parameters. Otherwise the coefs, intercepts and C that correspond to the best scores across folds are averaged.
Best.

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