From: Barlow Twins deep neural network for advanced 1D drug–target interaction prediction
Hyperparameter | Value/Range |
---|---|
enc_n_neurons | 1024, 2048, 4096 |
enc_n_layers | 1, 2, 3 |
proj_n_neurons | 1024, 2048, 4096 |
proj_n_layers | 1, 2, 3 |
embedding_dim | 512, 1024, 2048 |
act_function | ReLU |
aa_emb_size | 1024 |
loss_weight | 1 \(\times 10^{-5}\), 0.005, 0.1 |
batch_size | 4096 |
epochs | 250 |
optimizer | AdamW |
learning_rate | 1 \(\times 10^{-5}\), 3 \(\times 10^{-4}\), 0.1 |
beta_1 | 0.9 |
beta_2 | 0.999 |
weight_decay | 5\(\times 10^{-5}\) |
step_size | 10 |
gamma | 0.1 |
val_split | 0.1 |