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CIBCB
2009
IEEE
14 years 11 months ago
Application of machine learning approaches on quantitative structure activity relationships
Machine Learning techniques are successfully applied to establish quantitative relations between chemical structure and biological activity (QSAR), i.e. classify compounds as activ...
Mariusz Butkiewicz, Ralf Mueller, Danilo Selic, Er...
JMLR
2010
100views more  JMLR 2010»
14 years 4 months ago
Parametric Herding
A parametric version of herding is formulated. The nonlinear mapping between consecutive time slices is learned by a form of self-supervised training. The resulting dynamical syst...
Yutian Chen, Max Welling
ICML
2008
IEEE
15 years 10 months ago
Structure compilation: trading structure for features
Structured models often achieve excellent performance but can be slow at test time. We investigate structure compilation, where we replace structure with features, which are often...
Dan Klein, Hal Daumé III, Percy Liang
ICML
2005
IEEE
15 years 10 months ago
Closed-form dual perturb and combine for tree-based models
This paper studies the aggregation of predictions made by tree-based models for several perturbed versions of the attribute vector of a test case. A closed-form approximation of t...
Pierre Geurts, Louis Wehenkel
ICML
2010
IEEE
14 years 11 months ago
Fast Neighborhood Subgraph Pairwise Distance Kernel
We introduce a novel graph kernel called the Neighborhood Subgraph Pairwise Distance Kernel. The kernel decomposes a graph into all pairs of neighborhood subgraphs of small radius...
Fabrizio Costa, Kurt De Grave