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Approximation of Graph Kernel Similarities for Chemical Graphs by Kernel Principal Component Analysis.
Georg Hinselmann
Andreas Jahn
Nikolas Fechner
Lars Rosenbaum
Andreas Zell
Published in:
EvoBio (2011)
Keyphrases
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graph kernels
kernel principal component analysis
kernel methods
kernel function
gaussian processes
structured data
data representation
link prediction
similarity measure
closed form
similarity matrix
pattern recognition
graph data
label information
kernel pca
kernel machines
gaussian process
high dimensional