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  1. checkpoints/13lltqha/config.yaml +93 -0
  2. checkpoints/13lltqha/last.ckpt +3 -0
  3. checkpoints/1b64t79h/config.yaml +93 -0
  4. checkpoints/1b64t79h/last.ckpt +3 -0
  5. checkpoints/1hr1x9r5/config.yaml +93 -0
  6. checkpoints/1hr1x9r5/last.ckpt +3 -0
  7. checkpoints/2tjrgcde/config.yaml +93 -0
  8. checkpoints/2tjrgcde/last.ckpt +3 -0
  9. checkpoints/3rs1hxky/config.yaml +93 -0
  10. checkpoints/3rs1hxky/last.ckpt +3 -0
  11. checkpoints/5z4iaak9/config.yaml +93 -0
  12. checkpoints/5z4iaak9/last.ckpt +3 -0
  13. checkpoints/7str7fhl/config.yaml +90 -0
  14. checkpoints/7str7fhl/last.ckpt +3 -0
  15. checkpoints/8ebs7j9h/config.yaml +93 -0
  16. checkpoints/8ebs7j9h/last.ckpt +3 -0
  17. checkpoints/fbbrfqzk/config.yaml +93 -0
  18. checkpoints/fbbrfqzk/last.ckpt +3 -0
  19. checkpoints/g8e83omk/config.yaml +90 -0
  20. checkpoints/g8e83omk/last.ckpt +3 -0
  21. checkpoints/ich20c3q/config.yaml +90 -0
  22. checkpoints/ich20c3q/last.ckpt +3 -0
  23. checkpoints/j1v1wv6w/last.ckpt +3 -0
  24. checkpoints/kyytc8i9/config.yaml +90 -0
  25. checkpoints/kyytc8i9/last.ckpt +3 -0
  26. checkpoints/mm9fe6x9/config.yaml +93 -0
  27. checkpoints/mm9fe6x9/last.ckpt +3 -0
  28. checkpoints/q3m9fhii/config.yaml +93 -0
  29. checkpoints/q3m9fhii/last.ckpt +3 -0
  30. checkpoints/uhg29zk4/config.yaml +90 -0
  31. checkpoints/uhg29zk4/last.ckpt +3 -0
  32. checkpoints/v2cer77t/config.yaml +93 -0
  33. checkpoints/v2cer77t/last.ckpt +3 -0
  34. checkpoints/yfel5fnl/config.yaml +93 -0
  35. checkpoints/yfel5fnl/last.ckpt +3 -0
  36. sequence_decoder/mlp.ckpt +3 -0
  37. statistics/cath/esm2_t12_35M_UR50D/subset_5000_nov28/channel_max.pkl.npy +3 -0
  38. statistics/cath/esm2_t12_35M_UR50D/subset_5000_nov28/channel_mean.pkl.npy +3 -0
  39. statistics/cath/esm2_t12_35M_UR50D/subset_5000_nov28/channel_min.pkl.npy +3 -0
  40. statistics/cath/esm2_t12_35M_UR50D/subset_5000_nov28/channel_std.pkl.npy +3 -0
  41. statistics/cath/esm2_t6_8M_UR50D/subset_5000_nov28/channel_max.pkl.npy +3 -0
  42. statistics/cath/esm2_t6_8M_UR50D/subset_5000_nov28/channel_mean.pkl.npy +3 -0
  43. statistics/cath/esm2_t6_8M_UR50D/subset_5000_nov28/channel_min.pkl.npy +3 -0
  44. statistics/cath/esm2_t6_8M_UR50D/subset_5000_nov28/channel_std.pkl.npy +3 -0
  45. statistics/cath/esmfold/subset_5000_nov28/channel_max.pkl.npy +3 -0
  46. statistics/cath/esmfold/subset_5000_nov28/channel_mean.pkl.npy +3 -0
  47. statistics/cath/esmfold/subset_5000_nov28/channel_min.pkl.npy +3 -0
  48. statistics/cath/esmfold/subset_5000_nov28/channel_std.pkl.npy +3 -0
  49. statistics/cath/esmfold_pre_mlp/subset_5000_nov28/channel_max.pkl.npy +3 -0
  50. statistics/cath/esmfold_pre_mlp/subset_5000_nov28/channel_mean.pkl.npy +3 -0
checkpoints/13lltqha/config.yaml ADDED
@@ -0,0 +1,93 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
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+ dryrun: false
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+ run_test: null
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+ resume_from_model_id: null
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+ paths:
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+ root_dir: /homefs/home/lux70/storage/plaid
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+ data_dir: /homefs/home/lux70/storage/data
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+ bucket_dir: /data/bucket/lux70/data
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+ log_dir: /homefs/home/lux70/storage/plaid/logs
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+ project_dir: /homefs/home/lux70/code/plaid
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+ checkpoint_dir: ${paths.root_dir}/checkpoints
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+ artifacts_dir: ${paths.root_dir}/artifacts
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+ entity: lu-amy-al1
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+ datamodule:
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+ _target_: plaid.datasets.CATHShardedDataModule
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+ storage_type: hdf5
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+ shard_dir: ${paths.data_dir}/cath/shards
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+ seq_len: 512
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+ batch_size: 128
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+ num_workers: 1
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+ dtype: fp32
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+ hourglass:
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+ _target_: plaid.compression.hourglass_vq.HourglassVQLightningModule
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+ dim: 1024
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+ depth: 4
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+ shorten_factor: 2
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+ downproj_factor: 16
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+ attn_resampling: true
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+ updown_sample_type: linear
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+ heads: 8
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+ dim_head: 64
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+ norm_out: false
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+ use_quantizer: tanh
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+ n_e: 128
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+ e_dim: 64
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+ vq_beta: 0.25
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+ seq_loss_weight: 0.0
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+ struct_loss_weight: 0.0
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+ log_sequence_loss: true
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+ log_structure_loss: false
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+ lr: 7.0e-05
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+ lr_sched_type: cosine_with_restarts
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+ lr_num_warmup_steps: 3000
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+ lr_num_training_steps: 800000
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+ lr_num_cycles: 2
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+ fsq_levels: None
46
+ latent_scaler:
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+ _target_: plaid.utils.LatentScaler
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+ mode: channel_minmaxnorm
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+ origin_dataset: cath
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+ lm_embedder_type: esmfold
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+ trainer:
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+ _target_: lightning.pytorch.Trainer
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+ accelerator: gpu
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+ devices: 1
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+ gradient_clip_val: 0.5
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+ log_every_n_steps: 20
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+ num_sanity_val_steps: 0
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+ gradient_clip_algorithm: norm
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+ precision: bf16-mixed
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+ max_epochs: 20000
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+ default_root_dir: ${paths.log_dir}
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+ callbacks:
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+ checkpoint:
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+ _target_: lightning.pytorch.callbacks.ModelCheckpoint
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+ dirpath: null
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+ filename: '{epoch}-{step}'
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+ verbose: true
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+ save_last: link
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+ every_n_train_steps: 5000
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+ monitor: val/loss
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+ auto_insert_metric_name: false
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+ mode: min
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+ lr_monitor:
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+ _target_: lightning.pytorch.callbacks.LearningRateMonitor
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+ log_momentum: true
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+ log_weight_decay: true
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+ compression:
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+ _target_: plaid.callbacks.CompressionReconstructionCallback
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+ batch_size: 4
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+ out_dir: ${paths.root_dir}/cache
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+ shard_dir: ${paths.data_dir}/cath/shards
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+ pdb_dir: ${paths.bucket_dir}/cath/dompdb
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+ num_samples: 64
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+ max_seq_len: 128
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+ num_recycles: 1
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+ run_every_n_steps: 2500
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+ logger:
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+ _target_: lightning.pytorch.loggers.WandbLogger
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+ project: plaid-hourglass-2
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+ entity: ${paths.entity}
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+ name: cath_tanh_256_64
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+ tags: null
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+ group: null
checkpoints/13lltqha/last.ckpt ADDED
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+ version https://git-lfs.github.com/spec/v1
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+ oid sha256:e4b123ab4a938210490a90cc6e4c7f6f4f79eb967584a9b6ff721ec0c72afd16
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+ size 1162625168
checkpoints/1b64t79h/config.yaml ADDED
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+ dryrun: false
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+ run_test: null
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+ resume_from_model_id: null
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+ paths:
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+ root_dir: /homefs/home/lux70/storage/plaid
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+ data_dir: /homefs/home/lux70/storage/data
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+ bucket_dir: /data/bucket/lux70/data
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+ log_dir: /homefs/home/lux70/storage/plaid/logs
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+ project_dir: /homefs/home/lux70/code/plaid
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+ checkpoint_dir: ${paths.root_dir}/checkpoints
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+ artifacts_dir: ${paths.root_dir}/artifacts
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+ entity: lu-amy-al1
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+ datamodule:
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+ _target_: plaid.datasets.CATHShardedDataModule
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+ storage_type: hdf5
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+ shard_dir: ${paths.data_dir}/cath/shards
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+ seq_len: 512
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+ batch_size: 128
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+ num_workers: 1
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+ dtype: fp32
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+ hourglass:
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+ _target_: plaid.compression.hourglass_vq.HourglassVQLightningModule
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+ dim: 1024
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+ depth: 4
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+ shorten_factor: 1
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+ downproj_factor: 256
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+ attn_resampling: true
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+ updown_sample_type: linear
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+ heads: 8
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+ dim_head: 64
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+ norm_out: false
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+ use_quantizer: tanh
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+ n_e: 128
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+ e_dim: 64
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+ vq_beta: 0.25
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+ seq_loss_weight: 0.0
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+ struct_loss_weight: 0.0
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+ log_sequence_loss: true
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+ log_structure_loss: false
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+ lr: 7.0e-05
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+ lr_sched_type: cosine_with_restarts
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+ lr_num_warmup_steps: 3000
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+ lr_num_training_steps: 800000
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+ lr_num_cycles: 2
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+ fsq_levels: None
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+ latent_scaler:
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+ _target_: plaid.utils.LatentScaler
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+ mode: channel_minmaxnorm
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+ origin_dataset: cath
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+ lm_embedder_type: esmfold
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+ trainer:
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+ _target_: lightning.pytorch.Trainer
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+ accelerator: gpu
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+ devices: 1
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+ gradient_clip_val: 0.5
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+ log_every_n_steps: 20
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+ num_sanity_val_steps: 0
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+ gradient_clip_algorithm: norm
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+ precision: bf16-mixed
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+ max_epochs: 20000
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+ default_root_dir: ${paths.log_dir}
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+ callbacks:
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+ checkpoint:
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+ _target_: lightning.pytorch.callbacks.ModelCheckpoint
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+ dirpath: null
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+ filename: '{epoch}-{step}'
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+ verbose: true
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+ save_last: link
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+ every_n_train_steps: 5000
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+ monitor: val/loss
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+ auto_insert_metric_name: false
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+ mode: min
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+ lr_monitor:
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+ _target_: lightning.pytorch.callbacks.LearningRateMonitor
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+ log_momentum: true
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+ log_weight_decay: true
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+ compression:
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+ _target_: plaid.callbacks.CompressionReconstructionCallback
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+ batch_size: 4
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+ out_dir: ${paths.root_dir}/cache
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+ shard_dir: ${paths.data_dir}/cath/shards
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+ pdb_dir: ${paths.bucket_dir}/cath/dompdb
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+ num_samples: 64
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+ max_seq_len: 128
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+ num_recycles: 1
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+ run_every_n_steps: 2500
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+ logger:
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+ _target_: lightning.pytorch.loggers.WandbLogger
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+ project: plaid-hourglass-2
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+ entity: ${paths.entity}
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+ name: cath_tanh_512_4
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+ tags: null
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+ group: null
checkpoints/1b64t79h/last.ckpt ADDED
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+ size 1146592016
checkpoints/1hr1x9r5/config.yaml ADDED
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+ dryrun: false
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+ run_test: null
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+ resume_from_model_id: null
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+ paths:
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+ root_dir: /homefs/home/lux70/storage/plaid
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+ data_dir: /homefs/home/lux70/storage/data
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+ bucket_dir: /data/bucket/lux70/data
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+ log_dir: /homefs/home/lux70/storage/plaid/logs
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+ project_dir: /homefs/home/lux70/code/plaid
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+ checkpoint_dir: ${paths.root_dir}/checkpoints
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+ artifacts_dir: ${paths.root_dir}/artifacts
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+ entity: lu-amy-al1
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+ datamodule:
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+ _target_: plaid.datasets.CATHShardedDataModule
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+ storage_type: hdf5
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+ shard_dir: ${paths.data_dir}/cath/shards
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+ seq_len: 512
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+ batch_size: 128
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+ num_workers: 1
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+ dtype: fp32
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+ hourglass:
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+ _target_: plaid.compression.hourglass_vq.HourglassVQLightningModule
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+ dim: 1024
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+ depth: 4
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+ shorten_factor: 1
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+ downproj_factor: 128
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+ attn_resampling: true
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+ updown_sample_type: linear
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+ dim_head: 64
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+ norm_out: false
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+ use_quantizer: tanh
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+ log_structure_loss: false
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+ lr: 7.0e-05
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+ lr_sched_type: cosine_with_restarts
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+ lr_num_warmup_steps: 3000
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+ lr_num_training_steps: 800000
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+ lr_num_cycles: 2
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+ fsq_levels: None
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+ latent_scaler:
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+ _target_: plaid.utils.LatentScaler
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+ mode: channel_minmaxnorm
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+ origin_dataset: cath
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+ lm_embedder_type: esmfold
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+ trainer:
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+ _target_: lightning.pytorch.Trainer
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+ accelerator: gpu
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+ devices: 1
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+ log_every_n_steps: 20
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+ num_sanity_val_steps: 0
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+ gradient_clip_algorithm: norm
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+ precision: bf16-mixed
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+ max_epochs: 20000
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+ default_root_dir: ${paths.log_dir}
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+ callbacks:
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+ checkpoint:
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+ _target_: lightning.pytorch.callbacks.ModelCheckpoint
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+ dirpath: null
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+ filename: '{epoch}-{step}'
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+ verbose: true
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+ save_last: link
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+ every_n_train_steps: 5000
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+ monitor: val/loss
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+ auto_insert_metric_name: false
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+ mode: min
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+ lr_monitor:
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+ _target_: lightning.pytorch.callbacks.LearningRateMonitor
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+ log_momentum: true
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+ log_weight_decay: true
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+ compression:
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+ _target_: plaid.callbacks.CompressionReconstructionCallback
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+ batch_size: 4
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+ out_dir: ${paths.root_dir}/cache
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+ shard_dir: ${paths.data_dir}/cath/shards
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+ pdb_dir: ${paths.bucket_dir}/cath/dompdb
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+ num_samples: 64
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+ max_seq_len: 128
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+ num_recycles: 1
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+ run_every_n_steps: 2500
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+ logger:
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+ _target_: lightning.pytorch.loggers.WandbLogger
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+ project: plaid-hourglass-2
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+ entity: ${paths.entity}
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+ name: cath_tanh_512_8
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+ tags: null
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+ group: null
checkpoints/1hr1x9r5/last.ckpt ADDED
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+ dryrun: false
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+ run_test: null
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+ resume_from_model_id: null
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+ paths:
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+ root_dir: /homefs/home/lux70/storage/plaid
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+ data_dir: /homefs/home/lux70/storage/data
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+ bucket_dir: /data/bucket/lux70/data
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+ log_dir: /homefs/home/lux70/storage/plaid/logs
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+ project_dir: /homefs/home/lux70/code/plaid
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+ checkpoint_dir: ${paths.root_dir}/checkpoints
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+ artifacts_dir: ${paths.root_dir}/artifacts
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+ entity: lu-amy-al1
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+ datamodule:
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+ _target_: plaid.datasets.CATHShardedDataModule
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+ storage_type: hdf5
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+ shard_dir: ${paths.data_dir}/cath/shards
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+ seq_len: 512
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+ batch_size: 128
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+ num_workers: 1
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+ dtype: fp32
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+ hourglass:
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+ _target_: plaid.compression.hourglass_vq.HourglassVQLightningModule
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+ dim: 1024
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+ depth: 4
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+ shorten_factor: 1
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+ downproj_factor: 16
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+ norm_out: false
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+ lr: 7.0e-05
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+ lr_sched_type: cosine_with_restarts
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+ lr_num_warmup_steps: 3000
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+ lr_num_training_steps: 800000
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+ lr_num_cycles: 2
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+ fsq_levels: None
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+ latent_scaler:
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+ _target_: plaid.utils.LatentScaler
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+ mode: channel_minmaxnorm
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+ origin_dataset: cath
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+ lm_embedder_type: esmfold
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+ trainer:
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+ _target_: lightning.pytorch.Trainer
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+ accelerator: gpu
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+ devices: 1
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+ log_every_n_steps: 20
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+ num_sanity_val_steps: 0
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+ gradient_clip_algorithm: norm
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+ precision: bf16-mixed
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+ max_epochs: 20000
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+ default_root_dir: ${paths.log_dir}
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+ callbacks:
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+ checkpoint:
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+ _target_: lightning.pytorch.callbacks.ModelCheckpoint
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+ dirpath: null
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+ filename: '{epoch}-{step}'
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+ verbose: true
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+ save_last: link
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+ every_n_train_steps: 5000
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+ monitor: val/loss
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+ auto_insert_metric_name: false
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+ mode: min
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+ lr_monitor:
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+ _target_: lightning.pytorch.callbacks.LearningRateMonitor
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+ log_momentum: true
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+ log_weight_decay: true
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+ compression:
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+ _target_: plaid.callbacks.CompressionReconstructionCallback
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+ batch_size: 4
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+ out_dir: ${paths.root_dir}/cache
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+ shard_dir: ${paths.data_dir}/cath/shards
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+ pdb_dir: ${paths.bucket_dir}/cath/dompdb
83
+ num_samples: 64
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+ max_seq_len: 128
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+ num_recycles: 1
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+ run_every_n_steps: 2500
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+ logger:
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+ _target_: lightning.pytorch.loggers.WandbLogger
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+ project: plaid-hourglass-2
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+ entity: ${paths.entity}
91
+ name: cath_tanh_512_64
92
+ tags: null
93
+ group: null
checkpoints/2tjrgcde/last.ckpt ADDED
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+ dryrun: false
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+ run_test: null
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+ resume_from_model_id: null
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+ paths:
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+ data_dir: /homefs/home/lux70/storage/data
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+ bucket_dir: /data/bucket/lux70/data
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+ log_dir: /homefs/home/lux70/storage/plaid/logs
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+ project_dir: /homefs/home/lux70/code/plaid
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+ checkpoint_dir: ${paths.root_dir}/checkpoints
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+ artifacts_dir: ${paths.root_dir}/artifacts
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+ entity: lu-amy-al1
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+ datamodule:
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+ _target_: plaid.datasets.CATHShardedDataModule
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+ storage_type: hdf5
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+ shard_dir: ${paths.data_dir}/cath/shards
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+ seq_len: 512
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+ batch_size: 128
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+ num_workers: 1
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+ dtype: fp32
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+ hourglass:
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+ _target_: plaid.compression.hourglass_vq.HourglassVQLightningModule
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+ dim: 1024
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+ depth: 4
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