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scikit-learn : Data Compression via Dimensionality Reduction III - Nonlinear mappings via kernel principal component (KPCA) analysis

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Nonlinear PCA - Kernel PCA

In real-world applications, linear transformation such as PCA and LDA are not the best technique for dimensionality reduction.

In this section, a kernel PCA will be introduced. It is conceptually similar to kernel SVM. Using kernel PCA, we will see how to transform data that is not linearly separable onto a lower-dimensional subspace suitable for linear classifiers.

PCA-vs-KernelPCA.png

picture source : Scholkopf B, Smola A, and Muller KR, Kernel principal component analysis, 1999






Kernel trick

KPCA is using a kernel trick with standard PCA. The resulting algorithm is similar, except that every dot product is replaced by a nonlinear kernel function.

The kernel is related to the transform $\phi (\mathbf x)$, and the resulting $n \times n$ kernel matrix looks like this:

$$ \mathbf K = \mathbf k(\mathbf x, \mathbf y) = (\phi (\mathbf x), \phi (\mathbf y)) = \phi (\mathbf x)^T \phi (\mathbf y)$$

The algorithm collects the top $k$ eigenvectors of the centered kernel matrix based on their corresponding eigenvalues, which are ranked by decreasing magnitude. But unlike standard PCA, the eigenvectors of KPCA are not the principal component axes but the samples projected onto those axes.




Standard PCA with Scikit

As we can see from the left picture, the two half-moon shapes are not linearly separable. The plot on the right side is how the dataset looks like if we project it onto the principal components via standard PCA:

SimplePCA-Code.png
SimplePCA-Plot.png

As expected, the linear standard PCA classifier was unable to separate the dataset. The plot used the first principal component only, and the triangular samples slightly shifted upwards and the circular samples slightly downwards to demonstrate the overlap.

So, in the next section, we want to try Kernel PCA rather than standard PCA.





Kernel PCA with Scikit

We are going to implement an RBF kernel PCA of Scikit-learn:

Kernel PCA - moon dataset:

KernelPCA-Scikit-Code.png
KernelPCA-Scikit-Plot1.png
KernelPCA-Scikit-Plot2.png
KernelPCA-Scikit-Plot3.png

Kernel PCA - circle dataset. This is a nonlinear problem with concentric circles:

KCPA-Circles-Code1.png
KCPA-Circles-Code2.png
KCPA-Circles-Plot1.png
KCPA-Circles-Plot2.png
KCPA-Circles-Plot3.png
KCPA-Circles-Plot4.png
KCPA-Circles-Plot5.png



Github source

Jupyter notebook is available from Github:

Github: Kernel-PCA.ipynb.









Machine Learning with scikit-learn



scikit-learn installation

scikit-learn : Features and feature extraction - iris dataset

scikit-learn : Machine Learning Quick Preview

scikit-learn : Data Preprocessing I - Missing / Categorical data

scikit-learn : Data Preprocessing II - Partitioning a dataset / Feature scaling / Feature Selection / Regularization

scikit-learn : Data Preprocessing III - Dimensionality reduction vis Sequential feature selection / Assessing feature importance via random forests

Data Compression via Dimensionality Reduction I - Principal component analysis (PCA)

scikit-learn : Data Compression via Dimensionality Reduction II - Linear Discriminant Analysis (LDA)

scikit-learn : Data Compression via Dimensionality Reduction III - Nonlinear mappings via kernel principal component (KPCA) analysis

scikit-learn : Logistic Regression, Overfitting & regularization

scikit-learn : Supervised Learning & Unsupervised Learning - e.g. Unsupervised PCA dimensionality reduction with iris dataset

scikit-learn : Unsupervised_Learning - KMeans clustering with iris dataset

scikit-learn : Linearly Separable Data - Linear Model & (Gaussian) radial basis function kernel (RBF kernel)

scikit-learn : Decision Tree Learning I - Entropy, Gini, and Information Gain

scikit-learn : Decision Tree Learning II - Constructing the Decision Tree

scikit-learn : Random Decision Forests Classification

scikit-learn : Support Vector Machines (SVM)

scikit-learn : Support Vector Machines (SVM) II

Flask with Embedded Machine Learning I : Serializing with pickle and DB setup

Flask with Embedded Machine Learning II : Basic Flask App

Flask with Embedded Machine Learning III : Embedding Classifier

Flask with Embedded Machine Learning IV : Deploy

Flask with Embedded Machine Learning V : Updating the classifier

scikit-learn : Sample of a spam comment filter using SVM - classifying a good one or a bad one




Machine learning algorithms and concepts

Batch gradient descent algorithm

Single Layer Neural Network - Perceptron model on the Iris dataset using Heaviside step activation function

Batch gradient descent versus stochastic gradient descent

Single Layer Neural Network - Adaptive Linear Neuron using linear (identity) activation function with batch gradient descent method

Single Layer Neural Network : Adaptive Linear Neuron using linear (identity) activation function with stochastic gradient descent (SGD)

Logistic Regression

VC (Vapnik-Chervonenkis) Dimension and Shatter

Bias-variance tradeoff

Maximum Likelihood Estimation (MLE)

Neural Networks with backpropagation for XOR using one hidden layer

minHash

tf-idf weight

Natural Language Processing (NLP): Sentiment Analysis I (IMDb & bag-of-words)

Natural Language Processing (NLP): Sentiment Analysis II (tokenization, stemming, and stop words)

Natural Language Processing (NLP): Sentiment Analysis III (training & cross validation)

Natural Language Processing (NLP): Sentiment Analysis IV (out-of-core)

Locality-Sensitive Hashing (LSH) using Cosine Distance (Cosine Similarity)




Artificial Neural Networks (ANN)

[Note] Sources are available at Github - Jupyter notebook files

1. Introduction

2. Forward Propagation

3. Gradient Descent

4. Backpropagation of Errors

5. Checking gradient

6. Training via BFGS

7. Overfitting & Regularization

8. Deep Learning I : Image Recognition (Image uploading)

9. Deep Learning II : Image Recognition (Image classification)

10 - Deep Learning III : Deep Learning III : Theano, TensorFlow, and Keras






Ph.D. / Golden Gate Ave, San Francisco / Seoul National Univ / Carnegie Mellon / UC Berkeley / DevOps / Deep Learning / Visualization

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Sponsor Open Source development activities and free contents for everyone.

Thank you.

- K Hong








Machine Learning with scikit-learn



scikit-learn installation

scikit-learn : Features and feature extraction - iris dataset

scikit-learn : Machine Learning Quick Preview

scikit-learn : Data Preprocessing I - Missing / Categorical data)

scikit-learn : Data Preprocessing II - Partitioning a dataset / Feature scaling / Feature Selection / Regularization

scikit-learn : Data Preprocessing III - Dimensionality reduction vis Sequential feature selection / Assessing feature importance via random forests

scikit-learn : Data Compression via Dimensionality Reduction I - Principal component analysis (PCA)

scikit-learn : Data Compression via Dimensionality Reduction II - Linear Discriminant Analysis (LDA)

scikit-learn : Data Compression via Dimensionality Reduction III - Nonlinear mappings via kernel principal component (KPCA) analysis

scikit-learn : Logistic Regression, Overfitting & regularization

scikit-learn : Supervised Learning & Unsupervised Learning - e.g. Unsupervised PCA dimensionality reduction with iris dataset

scikit-learn : Unsupervised_Learning - KMeans clustering with iris dataset

scikit-learn : Linearly Separable Data - Linear Model & (Gaussian) radial basis function kernel (RBF kernel)

scikit-learn : Decision Tree Learning I - Entropy, Gini, and Information Gain

scikit-learn : Decision Tree Learning II - Constructing the Decision Tree

scikit-learn : Random Decision Forests Classification

scikit-learn : k-Nearest Neighbors (k-NN) Algorithm

scikit-learn : Support Vector Machines (SVM)

scikit-learn : Support Vector Machines (SVM) II

Flask with Embedded Machine Learning I : Serializing with pickle and DB setup

Flask with Embedded Machine Learning II : Basic Flask App

Flask with Embedded Machine Learning III : Embedding Classifier

Flask with Embedded Machine Learning IV : Deploy

Flask with Embedded Machine Learning V : Updating the classifier

scikit-learn : Sample of a spam comment filter using SVM - classifying a good one or a bad one




Machine learning algorithms

Batch gradient descent algorithm

Single Layer Neural Network - Perceptron model on the Iris dataset using Heaviside step activation function

Batch gradient descent versus stochastic gradient descent (SGD)

Single Layer Neural Network - Adaptive Linear Neuron using linear (identity) activation function with batch gradient descent method

Single Layer Neural Network : Adaptive Linear Neuron using linear (identity) activation function with stochastic gradient descent (SGD)

VC (Vapnik-Chervonenkis) Dimension and Shatter

Bias-variance tradeoff

Logistic Regression

Maximum Likelihood Estimation (MLE)

Neural Networks with backpropagation for XOR using one hidden layer

minHash

tf-idf weight

Natural Language Processing (NLP): Sentiment Analysis I (IMDb & bag-of-words)

Natural Language Processing (NLP): Sentiment Analysis II (tokenization, stemming, and stop words)

Natural Language Processing (NLP): Sentiment Analysis III (training & cross validation)

Natural Language Processing (NLP): Sentiment Analysis IV (out-of-core)

Locality-Sensitive Hashing (LSH) using Cosine Distance (Cosine Similarity)




Artificial Neural Networks (ANN)

1. Introduction

2. Forward Propagation

3. Gradient Descent

4. Backpropagation of Errors

5. Checking gradient

6. Training via BFGS

7. Overfitting & Regularization

8 - Deep Learning I : Image Recognition (Image uploading)

9 - Deep Learning II : Image Recognition (Image classification)

10 - Deep Learning III : Deep Learning III : Theano, TensorFlow, and Keras




Sponsor Open Source development activities and free contents for everyone.

Thank you.

- K Hong






Python tutorial



Python Home

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