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| author | Christoph Helma <helma@in-silico.ch> | 2016-03-15 17:40:40 +0100 |
|---|---|---|
| committer | Christoph Helma <helma@in-silico.ch> | 2016-03-15 17:40:40 +0100 |
| commit | 7c3bd90c26dfeea2db3cf74a1cefc23d8dece7c0 (patch) | |
| tree | 045d18b43e30ef3bf9a548230e45986b591535a6 /lib/leave-one-out-validation.rb | |
| parent | 0c5d2e678908a2d4aea43efbedbedc2c0439be30 (diff) | |
validation tests pass
Diffstat (limited to 'lib/leave-one-out-validation.rb')
| -rw-r--r-- | lib/leave-one-out-validation.rb | 16 |
1 files changed, 8 insertions, 8 deletions
diff --git a/lib/leave-one-out-validation.rb b/lib/leave-one-out-validation.rb index 9db10c6..2cd13db 100644 --- a/lib/leave-one-out-validation.rb +++ b/lib/leave-one-out-validation.rb @@ -18,7 +18,7 @@ module OpenTox predictions.select!{|p| p[:database_activities] and !p[:database_activities].empty?} loo.nr_instances = predictions.size predictions.select!{|p| p[:value]} # remove unpredicted - loo.predictions = predictions.sort{|a,b| b[:confidence] <=> a[:confidence]} + loo.predictions = predictions#.sort{|a,b| b[:confidence] <=> a[:confidence]} loo.nr_unpredicted = loo.nr_instances - loo.predictions.size loo.statistics loo.save @@ -126,8 +126,8 @@ module OpenTox field :rmse, type: Float, default: 0.0 field :mae, type: Float, default: 0 - field :weighted_rmse, type: Float, default: 0 - field :weighted_mae, type: Float, default: 0 + #field :weighted_rmse, type: Float, default: 0 + #field :weighted_mae, type: Float, default: 0 field :r_squared, type: Float field :correlation_plot_id, type: BSON::ObjectId field :confidence_plot_id, type: BSON::ObjectId @@ -143,10 +143,10 @@ module OpenTox measured_values << activity error = Math.log10(pred[:value])-Math.log10(activity) self.rmse += error**2 - self.weighted_rmse += pred[:confidence]*error**2 + #self.weighted_rmse += pred[:confidence]*error**2 self.mae += error.abs - self.weighted_mae += pred[:confidence]*error.abs - confidence_sum += pred[:confidence] + #self.weighted_mae += pred[:confidence]*error.abs + #confidence_sum += pred[:confidence] end end if pred[:database_activities].empty? @@ -160,9 +160,9 @@ module OpenTox r = R.eval("r").to_ruby self.mae = self.mae/predictions.size - self.weighted_mae = self.weighted_mae/confidence_sum + #self.weighted_mae = self.weighted_mae/confidence_sum self.rmse = Math.sqrt(self.rmse/predictions.size) - self.weighted_rmse = Math.sqrt(self.weighted_rmse/confidence_sum) + #self.weighted_rmse = Math.sqrt(self.weighted_rmse/confidence_sum) self.r_squared = r**2 self.finished_at = Time.now save |