sample_weight parameter shape error in scikit-learn GridSearchCV - scikit-learn

Passing the sample_weight parameter to GridSearchCV raises an error due to incorrect shape. My suspicion is that cross validation is not capable of handling the split of sample_weights accordingly with the dataset.
First part: Using sample_weight as a model parameter works beautifully
Let's consider a simple example, first without GridSearch:
import pandas as pd
import numpy as np
from keras.models import Sequential
from keras.layers import Dense, Activation
from keras.wrappers.scikit_learn import KerasRegressor
from sklearn.model_selection import GridSearchCV
import matplotlib.pyplot as plt
dataURL = 'https://raw.githubusercontent.com/mcasl/PAELLA/master/data/sinusoidal_data.csv'
x = pd.read_csv(dataURL, usecols=["x"]).x
y = pd.read_csv(dataURL, usecols=["y"]).y
occurrences = pd.read_csv(dataURL, usecols=["Occurrences"]).Occurrences
my_sample_weights = (1 - occurrences/10000)**3
my_sample_weights contains the importance that I assign to each observation in x, y, as the following picture shows. The points of the sinusoidal curve get higher weights than those forming the background noise.
plt.scatter(x, y, c=my_sample_weights>0.9, cmap="cool")
Let's train a neural network, first without using the information contained in my_sample_weights:
def make_model(number_of_hidden_neurons=1):
model = Sequential()
model.add(Dense(number_of_hidden_neurons, input_shape=(1,), activation='tanh'))
model.add(Dense(1, activation='linear'))
model.compile(optimizer='sgd', loss='mse')
return model
net_Not_using_sample_weight = make_model(number_of_hidden_neurons=6)
net_Not_using_sample_weight.fit(x,y, epochs=1000)
plt.scatter(x, y, )
plt.scatter(x, net_Not_using_sample_weight.predict(x), c="green")
As the following picture shows, the neural network tries to fit the shape of the sinusoidal but the background noise prevents it from a good fit.
Now, using the information of my_sample_weights , the quality of the prediction is a much better one.
Second part: Using sample_weight as a GridSearchCV parameter raises an error
my_Regressor = KerasRegressor(make_model)
validator = GridSearchCV(my_Regressor,
param_grid={'number_of_hidden_neurons': range(4, 5),
'epochs': [500],
},
fit_params={'sample_weight': [ my_sample_weights ]},
n_jobs=1,
)
validator.fit(x, y)
Trying to pass the sample_weights as a parameter gives the following error:
...
ValueError: Found a sample_weight array with shape (1000,) for an input with shape (666, 1). sample_weight cannot be broadcast.
It seems that the sample_weight vector has not been split in a similar manner to the input array.
For what is worth:
import sklearn
print(sklearn.__version__)
0.18.1
import keras
print(keras.__version__)
2.0.5

The problem is that as a standard, the GridSearch uses 3-fold cross-validation, unless explicity stated otherwise. This means that 2/3 data points of the data are used as training data and 1/3 for cross-validation, which does fit the error message. The input shape of 1000 of the fit_params doesn't match the number of training examples used for training (666). Adjust the size and the code will run.
my_sample_weights = np.random.uniform(size=666)

We developed PipeGraph, an extension to Scikit-Learn Pipeline that allows you to get intermediate data, build graph like workflows, and in particular, solve this problem (see the examples in the gallery at http://mcasl.github.io/PipeGraph )

Related

Question about Permutation Importance on LSTM Keras

from keras.wrappers.scikit_learn import KerasClassifier, KerasRegressor
import eli5
from eli5.sklearn import PermutationImportance
model = Sequential()
model.add(LSTM(units=30,return_sequences= True, input_shape=(X.shape[1],421)))
model.add(Dropout(rate=0.2))
model.add(LSTM(units=30, return_sequences=True))
model.add(LSTM(units=30))
model.add(Dense(units=1, activation='relu'))
perm = PermutationImportance(model, scoring='accuracy',random_state=1).fit(X, y, epochs=500, batch_size=8)
eli5.show_weights(perm, feature_names = X.columns.tolist())
I am running an LSTM just to see the feature importance of my dataset containing 400+ features. I used the Keras scikit-learn wrapper to use eli5's PermutationImportance function. But the code is returning
ValueError: Found array with dim 3. Estimator expected <= 2.
The code runs smoothly if I use model.fit() but can't debug the error of the permutation importance. Anyone know what is wrong?
eli5's scikitlearn implementation for determining permutation importance can only process 2d arrays while keras' LSTM layers require 3d arrays. This error is a known issue but there appears to be no solution yet.
I understand this does not really answer your question of getting eli5 to work with LSTM (because it currently can't), but I encountered the same problem and used another library called SHAP to get the feature importance of my LSTM model. Here is some of my code to help you get started:
import shap
DE = shap.DeepExplainer(model, X_train) # X_train is 3d numpy.ndarray
shap_values = DE.shap_values(X_validate_np, check_additivity=False) # X_validate is 3d numpy.ndarray
shap.initjs()
shap.summary_plot(
shap_values[0],
X_validate,
feature_names=list_of_your_columns_here,
max_display=50,
plot_type='bar')
Here is an example of the graph which you can get:
Hope this helps.

Geneating Learning Curve for Logistic Regression

I have a dataset of 260 microscopic image.I want to generate a learning curve for logistic regression algorithm.But I am getting this error "'module' object is not iterable" .Perhaps I don't understand something basic, as I'm a begineer who freshly learning Python
from sklearn.cross_validation import train_test_split
from imutils import paths
from scipy import misc
import numpy as np
import argparse
import imutils
import cv2
import os
from matplotlib import pyplot as plt
from sklearn.model_selection import learning_curve
from sklearn.linear_model import LogisticRegression
from sklearn.metrics import recall_score
from sklearn.metrics import precision_score
from sklearn.model_selection import cross_val_score
def plot_learning_curve(estimator, title, X, y, ylim=None, cv=None,
n_jobs=None, train_sizes=np.linspace(50, 80, 110)):
"""
Generate a simple plot of the test and training learning curve.
Parameters
----------
estimator : object type that implements the "fit" and "predict" methods
An object of that type which is cloned for each validation.
title : string
Title for the chart.
X : array-like, shape (n_samples, n_features)
Training vector, where n_samples is the number of samples and
n_features is the number of features.
y : array-like, shape (n_samples) or (n_samples, n_features), optional
Target relative to X for classification or regression;
None for unsupervised learning.
cv : int, cross-validation generator or an iterable, optional
Determines the cross-validation splitting strategy.
Possible inputs for cv are:
- None, to use the default 3-fold cross-validation,
- integer, to specify the number of folds.
- :term:`CV splitter`,
- An iterable yielding (train, test) splits as arrays of indices.
For integer/None inputs, if ``y`` is binary or multiclass,
:class:`StratifiedKFold` used. If the estimator is not a classifier
or if ``y`` is neither binary nor multiclass, :class:`KFold` is used.
Refer :ref:`User Guide <cross_validation>` for the various
cross-validators that can be used here.
n_jobs : int or None, optional (default=None)
Number of jobs to run in parallel.
``None`` means 1 unless in a :obj:`joblib.parallel_backend` context.
``-1`` means using all processors. See :term:`Glossary <n_jobs>`
for more details.
train_sizes : array-like, shape (n_ticks,), dtype float or int
Relative or absolute numbers of training examples that will be used to
generate the learning curve. If the dtype is float, it is regarded as a
fraction of the maximum size of the training set (that is determined
by the selected validation method), i.e. it has to be within (0, 1].
Otherwise it is interpreted as absolute sizes of the training sets.
Note that for classification the number of samples usually have to
be big enough to contain at least one sample from each class.
(default: np.linspace(0.1, 1.0, 5))
"""
plt.figure()
plt.title(title)
if ylim is not None:
plt.ylim(*ylim)
plt.xlabel("Training examples")
plt.ylabel("Score")
train_sizes, train_scores, test_scores = learning_curve(
estimator, X, y, cv=cv, n_jobs=n_jobs, train_sizes=train_sizes)
train_scores_mean = np.mean(train_scores, axis=1)
train_scores_std = np.std(train_scores, axis=1)
test_scores_mean = np.mean(test_scores, axis=1)
test_scores_std = np.std(test_scores, axis=1)
plt.grid()
plt.fill_between(train_sizes, train_scores_mean - train_scores_std,
train_scores_mean + train_scores_std, alpha=0.1,
color="r")
plt.fill_between(train_sizes, test_scores_mean - test_scores_std,
test_scores_mean + test_scores_std, alpha=0.1, color="g")
plt.plot(train_sizes, train_scores_mean, 'o-', color="r",
label="Training score")
plt.plot(train_sizes, test_scores_mean, 'o-', color="g",
label="Cross-validation score")
plt.legend(loc="best")
return plt
#training with logistic regression
clfLR = LogisticRegression(random_state=0, solver='lbfgs')
clfLR.fit(trainFeat,trainLabels)
acc = clfLR.score(testFeat, testLabels)
print("accuracy of Logistic regression ",acc)
I am facing this problem only when i Want to plot the curve.Rest of the code works fine.
#plotting the curve
estimator =LogisticRegression()
train_sizes, train_scores, valid_scores = plot_learning_curve(
estimator,'logistic learning curve ', trainFeat, trainLabels, cv=5, n_jobs=4,train_sizes=[50, 80, 110])
print(train_sizes)
plt.show()
Screenshot of the error
learning curve
Try running the code on Jupyter online IDE IDE. It plots automatically if you add "%matplotlib" line to import section.
If you want to keep working on this IDE, share your error message so maybe I can help you. You are missing one of the imports probably or it might be a Python2/3 problem.

eli5: show_weights() with two labels

I'm trying eli5 in order to understand the contribution of terms to the prediction of certain classes.
You can run this script:
import numpy as np
from sklearn.feature_extraction.text import CountVectorizer
from sklearn.linear_model import LogisticRegression
from sklearn.pipeline import Pipeline
from sklearn.datasets import fetch_20newsgroups
#categories = ['alt.atheism', 'soc.religion.christian']
categories = ['alt.atheism', 'soc.religion.christian', 'comp.graphics']
np.random.seed(1)
train = fetch_20newsgroups(subset='train', categories=categories, shuffle=True, random_state=7)
test = fetch_20newsgroups(subset='test', categories=categories, shuffle=True, random_state=7)
bow_model = CountVectorizer(stop_words='english')
clf = LogisticRegression()
pipel = Pipeline([('bow', bow),
('classifier', clf)])
pipel.fit(train.data, train.target)
import eli5
eli5.show_weights(clf, vec=bow, top=20)
Problem:
When working with two labels, the output is unfortunately limited to only one table:
categories = ['alt.atheism', 'soc.religion.christian']
However, when using three labels, it also outputs three tables.
categories = ['alt.atheism', 'soc.religion.christian', 'comp.graphics']
Is it a bug in the software that it misses y=0 in the first output, or do I miss a statistical point? I would expect to see two tables for the first case.
This has not to do with eli5 but with how scikit-learn (in this case LogisticRegression()) treats two categories. For only two categories, the problem turns into a binary one, so only a single column of attributes is returned everywhere from learned classifier.
Look at the attributes of LogisticRegression:
coef_ : array, shape (1, n_features) or (n_classes, n_features)
Coefficient of the features in the decision function.
coef_ is of shape (1, n_features) when the given problem is binary.
intercept_ : array, shape (1,) or (n_classes,)
Intercept (a.k.a. bias) added to the decision function.
If fit_intercept is set to False, the intercept is set to zero.
intercept_ is of shape(1,) when the problem is binary.
coef_ is of shape (1, n_features) when binary. This coef_ is used by the eli5.show_weights().
Hope this makes it clear.

Keras - Reuse weights from a previous layer - converting to keras tensor

I am trying to reuse the weight matrix from a previous layer. As a toy example I want to do something like this:
import numpy as np
from keras.layers import Dense, Input
from keras.layers import merge
from keras import backend as K
from keras.models import Model
inputs = Input(shape=(4,))
inputs2 = Input(shape=(4,))
dense_layer = Dense(10, input_shape=(4,))
dense1 = dense_layer(inputs)
def my_fun(my_inputs):
w = my_inputs[0]
x = my_inputs[1]
return K.dot(w, x)
merge1 = merge([dense_layer.W, inputs2], mode=my_fun)
The problem is that dense_layer.W is not a keras tensor. So I get the following error:
Exception: Output tensors to a Model must be Keras tensors. Found: dot.0
Any idea on how to convert dense_layer.W to a Keras tensor?
Thanks
It seems that you want to share weights between layers.
I think You can use denselayer as shared layer for inputs and inputs2.
merge1=dense_layer(inputs2)
Do check out shared layers # https://keras.io/getting-started/functional-api-guide/#shared-layers
I don't think that you can use the merge layer like this.
But to answer your question, you will probably have to create a custom layer which has tied weights. Look at this example.
Otherwise, the way to access the weights of a layer is to use get_weights() method on that layer, this will retrun a list of numpy arrays containing the weights. For the case of the Dense layer, it will contain weights and bias.
There are two cases for the solution, depending on what you are trying to do:
You would like to share the W matrix between your two operations, and the W matrix for these two operations are kept the same even if its value changed during training or for some other reason. Then you should use dense.weights[0] which is the W matrix as a tensor from your dense layer.
If you are only going to use the value of W matrix at the time of your code is written and this value is never going to change, then use K.constant(dense.get_weights[0]) which extracts the weights as numpy array and is converted into tensor.

sklearn auc ValueError: Only one class present in y_true

I searched Google, and saw a couple of StackOverflow posts about this error. They are not my cases.
I use keras to train a simple neural network and make some predictions on the splitted test dataset. But when use roc_auc_score to calculate AUC, I got the following error:
"ValueError: Only one class present in y_true. ROC AUC score is not defined in that case.".
I inspect the target label distribution, and they are highly imbalanced. Some labels(in the total 29 labels) have only 1 instance. So it's likely they will have no positive label instance in the test label. So the sklearn's roc_auc_score function reported the only one class problem. That's reasonable.
But I'm curious, as when I use sklearn's cross_val_score function, it can handle the AUC calculation without error.
my_metric = 'roc_auc'
scores = cross_validation.cross_val_score(myestimator, data,
labels, cv=5,scoring=my_metric)
I wonder what happened in the cross_val_score, is it because the cross_val_score use a stratified cross-validation data split?
UPDATE
I continued to make some digging, but still can't find the difference behind.I see that cross_val_score call check_scoring(estimator, scoring=None, allow_none=False) to return a scorer, and the check_scoring will call get_scorer(scoring) which will return scorer=SCORERS[scoring]
And the SCORERS['roc_auc'] is roc_auc_scorer;
the roc_auc_scorer is made by
roc_auc_scorer = make_scorer(roc_auc_score, greater_is_better=True,
needs_threshold=True)
So, it's still using the roc_auc_score function. I don't get why cross_val_score behave differently with directly calling roc_auc_score.
I think your hunch is correct. The AUC (area under ROC curve) needs a sufficient number of either classes in order to make sense.
By default, cross_val_score calculates the performance metric one each fold separately. Another option could be to do cross_val_predict and compute the AUC over all folds combined.
You could do something like:
from sklearn.metrics import roc_auc_score
from sklearn.cross_validation import cross_val_predict
from sklearn.linear_model import LogisticRegression
from sklearn.datasets import make_classification
class ProbaEstimator(LogisticRegression):
"""
This little hack needed, because `cross_val_predict`
uses `estimator.predict(X)` internally.
Replace `LogisticRegression` with whatever classifier you like.
"""
def predict(self, X):
return super(self.__class__, self).predict_proba(X)[:, 1]
# some example data
X, y = make_classification()
# define your estimator
estimator = ProbaEstimator()
# get predictions
pred = cross_val_predict(estimator, X, y, cv=5)
# compute AUC score
roc_auc_score(y, pred)

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