| Number of Optuna trials: 25 | |
| Best trial objective: 0.5624 (best trial number: 3) | |
| Best hyperparameters: | |
| - learning_rate: 0.00010780369551982127 | |
| - warmup_ratio: 0.05 | |
| - min_lr: 1.8229175490752733e-09 | |
| - factor: 0.8500000000000001 | |
| Training arguments: | |
| - output_dir: /mimer/NOBACKUP/groups/naiss2023-6-290/stefano/models//PROTAC-Splitter-EncoderDecoder-lr_reduce-opt25 | |
| - learning_rate: 5e-05 | |
| - optim: adamw_torch | |
| - lr_scheduler_type: reduce_lr_on_plateau | |
| - lr_scheduler_kwargs: {'min_lr': 1e-06} | |
| - adam_beta1: 0.9 | |
| - adam_beta2: 0.999 | |
| - adam_epsilon: 1e-08 | |
| - batch_eval_metrics: False | |
| - group_by_length: True | |
| - per_device_train_batch_size: 128 | |
| - per_device_eval_batch_size: 64 | |
| - gradient_accumulation_steps: 1 | |
| - auto_find_batch_size: True | |
| - fp16: True | |
| - fp16_full_eval: True | |
| - half_precision_backend: auto | |
| - use_cpu: False | |
| - dataloader_num_workers: 8 | |
| - dataloader_prefetch_factor: None | |
| - max_steps: 10000 | |
| - num_train_epochs: -1 | |
| - save_steps: 5000 | |
| - save_strategy: steps | |
| - eval_steps: 2500 | |
| - eval_delay: 5000 | |
| - eval_strategy: steps | |
| - save_total_limit: 2 | |
| - load_best_model_at_end: True | |
| - metric_for_best_model: all_ligands_equal | |
| - include_inputs_for_metrics: True | |
| - eval_on_start: False | |
| - log_level: debug | |
| - logging_steps: 500 | |
| - disable_tqdm: True | |
| - report_to: ['tensorboard'] | |
| - save_only_model: False | |
| - push_to_hub: True | |
| - push_to_hub_model_id: PROTAC-Splitter-EncoderDecoder-lr_reduce-opt25 | |
| - push_to_hub_organization: ailab-bio | |
| - hub_model_id: ailab-bio/PROTAC-Splitter-EncoderDecoder-lr_reduce-opt25 | |
| - hub_strategy: checkpoint | |
| - hub_private_repo: True | |
| - seed: 42 | |
| - data_seed: 42 | |
| - warmup_steps: 0 | |
| - generation_config: GenerationConfig { | |
| "max_length": 512, | |
| "max_new_tokens": 512 | |
| } | |
| - predict_with_generate: True | |
| - generation_max_length: 512 | |