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Hybrid localized graph kernel for machine learning energy-related properties of molecules and solids.
Bastien Casier
Mauricio Chagas da Silva
Michael Badawi
Fabien Pascale
Tomás Bucko
Sébastien Lebègue
Dario Rocca
Published in:
J. Comput. Chem. (2021)
Keyphrases
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machine learning
graph kernels
kernel methods
decision trees
support vector machine
model selection
learning algorithm
feature selection
supervised learning
natural language
data model
information extraction
text mining
text classification
learning tasks