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Journal Article

Non-linear PCA: a missing data approach

MPS-Authors
http://pubman.mpdl.mpg.de/cone/persons/resource/persons97393

Scholz,  M.
BioinformaticsCRG, Cooperative Research Groups, Max Planck Institute of Molecular Plant Physiology, Max Planck Society;

http://pubman.mpdl.mpg.de/cone/persons/resource/persons97239

Kopka,  J.
Applied Metabolome Analysis, Department Willmitzer, Max Planck Institute of Molecular Plant Physiology, Max Planck Society;

http://pubman.mpdl.mpg.de/cone/persons/resource/persons97409

Selbig,  J.
BioinformaticsCRG, Cooperative Research Groups, Max Planck Institute of Molecular Plant Physiology, Max Planck Society;

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Citation

Scholz, M., Kaplan, F., Guy, C. L., Kopka, J., & Selbig, J. (2005). Non-linear PCA: a missing data approach. Bioinformatics, 21(20), 3887-3895. doi:10.1093/bioinformatics/bti634.


Cite as: http://hdl.handle.net/11858/00-001M-0000-0014-2B1F-2
Abstract
Motivation: Visualizing and analysing the potential non-linear structure of a dataset is becoming an important task in molecular biology. This is even more challenging when the data have missing values. Results: Here, we propose an inverse model that performs non-linear principal component analysis (NLPCA) from incomplete datasets. Missing values are ignored while optimizing the model, but can be estimated afterwards. Results are shown for both artificial and experimental datasets. In contrast to linear methods, non-linear methods were able to give better missing value estimations for non-linear structured data. Application: We applied this technique to a time course of metabolite data from a cold stress experiment on the model plant Arabidopsis thaliana, and could approximate the mapping function from any time point to the metabolite responses. Thus, the inverse NLPCA provides greatly improved information for better understanding the complex response to cold stress.