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Mechanisms of Action (MoA) Prediction

Final code for Kaggle lish-moa competition.

Pre-processing/feature engineering

Training

  • MultilabelStratifiedKFold instead of traditional sklearn KFold
  • Single NN model with only few linear layers (see /src/model.py),
  • SmoothBCEwLogits loss function for training (torch.nn.BCEWithLogitsLoss for validation)

Prediction

  • Prediciton clipping (np.clip(y_hat, 0.001, 0.999))
  • Averaging results from best folds (best val_loss checkpoint from each fold)

Additional data

!pip install ../input/iterativestratification/
from iterstrat.ml_stratifiers import MultilabelStratifiedKFold

(only for logging)
!pip install neptune-client

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