Linear principal component analysis (PCA) can be extended to a nonlinear PCA by using artificial neural networks. But the benefit of curved components requires a careful control of the model complexity. Moreover, standard techniques for model selection, including cross-validation and more generally the use of an independent test set, fail when applied to nonlinear PCA because of its inherent unsupervised characteristics. This paper presents a new approach for validating the complexity of nonlinear PCA models by using the error in missing data estimation as a criterion for model selection. It is motivated by the idea that only the model of optimal complexity is able to predict missing values with the highest accuracy. While standard test set validation usually favours over-fitted nonlinear PCA models, the proposed model validation approach correctly selects the optimal model complexity.

Kernel PCA as a nonlinear feature extractor has proven powerful as a preprocessing step for classification algorithms. But it can also be considered asa natural generalization of linear principal component analysis. This gives rise to the question how to use nonlinear features for data compression, reconstruction, and de-noising, applications common in linear PCA. This is a nontrivial task, as the results provided by kernel PCAlive in some high dimensional feature space and need not have pre-images in input space. This work presents ideas for finding approximate pre-images,focusing on Gaussian kernels, and shows experimental results using these pre-images in data reconstruction and de-noising on toy examples as well as on real world data.

Kernel PCA as a nonlinear feature extractor has proven powerful as a preprocessing step for classification algorithms. But it can also be considered as a natural generalization of linear principal component analysis. This gives rise to the question how to use nonlinear features for data compression, reconstruction, and de-noising, applications common in linear PCA. This is a nontrivial task, as the results provided by kernel PCA live in some high dimensional feature space and need not have pre-images in input space. This work presents ideas for finding approximate pre-images, focusing on Gaussian kernels, and shows experimental results using these pre-images in data reconstruction and de-noising on toy examples as well as on real world data.