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Table 1 Optimized model hyper-parameters

From: AZOrange - High performance open source machine learning for QSAR modeling in a graphical programming environment

Algorithm

Parameter

Range

RF

The number of active attributes

SVM

C

2-5 to 215

 

γ

2-15 to 23

ANN

The number of hidden neurons (one-layer)

CvBoost

Maximum branching depth

1 to 20

 

The number of trees

1 to 1000

PLS

The number of components

1 to nAttr-1

  1. Model hyper-parameters being optimized by default and their corresponding ranges.
  2. 1nAttr is the number of attributes in the data set
  3. 2nEx is the number of examples in the data set