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Table 3 Summary of the four main neural network models

From: TB-DROP: deep learning-based drug resistance prediction of Mycobacterium tuberculosis utilizing whole genome mutations

Model

WDNN

DeepAMR

CNNGWP

TB-DROP

Features

1. Wide: Memorization

2. Deep: generalization

3. Custom loss and metrics functions

4. Remove rare variants

1. Denoising autoencoder

2. Cyclical learning rate

1. CNN

2. Normalization of input

3. MAF cleaning

Fully connected

Advantages

1. Allow missing labels

2. Batch Normalization

1. Non-linear dimension reduction

2. Quicker converge

1. Convolution: sparse interactions, parameter sharing and equivariant representations

2. Pooling: approximately invariant to small change of the input

Explore all interactions

Drawbacks

Too many neurons

Not allow missing labels

Test datasets were also used as validation datasets

Too many neurons

Regularization

1. Multi-task learning

2. Dropout

3. Parameter norm penalty

1. Multi-task learning

2. Early stopping

1. Single-task learning

2. Model averaged ensemble predictions

Multi-task learning

Hyperparameter tuning

Bayesian Optimization

Grid search

Bayesian Optimization

Manual search

Speed

 ~ 3 s/epoch

Pretrain: ~ 76 s/epoch Train: ~ 110 s/epoch

 ~ 40 s/epoch

 ~ 10 s/epoch

Threshold

max(tpr + tnr)

max(tpr-tnr)

max(tpr + tnr)

max(tpr + tnr)

CV strategy

KFold

MSSS

MSSS

MSSS

Softwarea

No

No

No

Yes

  1. Abbreviations: MAF Minor Allele Frequency, CNN Convolutional Neural Network, KFold sklearn.model_selection.KFold, CV Cross Validation, MSSS python package, iterstrat.ml_stratifiers.MultilabelStratifiedShuffleSplit, tpr true positive rate, tnr true negative rate,
  2. aWhether providing softwares that could be used