Exact(36)
The data splitting process is repeated many times and the cross-validated error estimates are averaged over all data splits.
These repetitions reduce the risk of choosing fortuitous data splits.
Different data splits yield varying estimates of the prediction error.
The best model is then found across different data splits and cross-validation schemes, based on the averaged data splits statistics.
Tables 4 and 5 show the results for the final set of eight descriptors for 546 organic molecules: the averaged values across data splits and the best model statistics for all data splits are presented.
It is also advisable to study the variable selection frequencies for different data splits and test data sizes.
Similar(24)
Fig. 8 Results on MeOx data set (data split 8).
Table 5 illustrates the data split for 4.6 GB.
Each simulation represents a different training/testing data split.
In our trails, the first data size was small enough to avoid data split.
Subsequently, for model development, the advantage of algorithm based data splitting over random selection is presented.
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