best val_rmse 0.0322

config.json

@@ -1,5 +1,5 @@
 {
-  "best_val_loss": 0.00038965378189459443,
+  "best_val_loss": 0.032189592719078064,
   "comet_ai_key": null,
   "context_observations": {
     "add_rem": true,
@@ -12,7 +12,7 @@
     "obs_type": "observations_pk_peak_halflife",
     "past_time_ratio": 0.1
   },
-  "debug_test": false,
+  "debug_test": true,
   "dosing": {
     "logdose_mean_range": [
       -2.0,
@@ -25,12 +25,16 @@
     "num_individuals": 10,
     "route_options": [
       "oral",
-      "oral"
+      "iv"
+    ],
+    "route_weights": [
+      0.8,
+      0.2
     ],
     "same_route": true,
     "time": 0.0
   },
-  "experiment_dir": "/home/cesarali/Pharma/generative_pk/results/comet/node_pk_compartments/388e66d3d96e4fe389c64a6d23e0716a",
+  "experiment_dir": "/home/cesarali/Pharma/generative_pk/results/comet/node_pk_compartments/93a7fec0eb854f52b153257b5035eb56",
   "experiment_indentifier": null,
   "experiment_name": "node_pk_compartments",
   "hf_model_card_path": [
@@ -167,11 +171,11 @@
       "simulated_ou_as_rates"
     ],
     "test_protocol": "simulated",
-    "test_size": 5,
+    "test_size": 256,
     "tqdm_progress": false,
     "train_size": 1000,
     "val_protocol": "simulated",
-    "val_size": 5,
+    "val_size": 256,
     "z_score_normalization": false
   },
   "model_type": "node_pk",
@@ -197,6 +201,7 @@
     "individual_encoder_number_of_heads": 4,
     "init_hidden_num_layers": 4,
     "input_encoding_hidden_dim": 128,
+    "kl_weight": 1.0,
     "loss_name": "nll",
     "node_step": true,
     "norm": "layer",
@@ -240,9 +245,9 @@
       0.9,
       0.999
     ],
-    "epochs": 50,
+    "epochs": 10,
     "eps": 1e-08,
-    "eval_empirical_every_pct": 0.75,
+    "eval_empirical_every_pct": 0.25,
     "gradient_clip_val": 1.0,
     "learning_rate": 0.00023,
     "log_image_every_epoch": 25,
@@ -259,7 +264,7 @@
       "last_epoch": -1
     },
     "shuffle_val": true,
-    "val_empirical_every_pct_epochs": 0.5,
+    "val_empirical_every_pct_epochs": 0.1,
     "weight_decay": 0.0001
   },
   "transformers_version": "4.52.4",

pytorch_model.bin

@@ -1,3 +1,3 @@
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+oid sha256:e8434a9afda9375f004f2de8ab6e45e511f6438a834b1aee84dc7b93214968f6
 size 38753907