best val_rmse 0.0546

config.json

@@ -1,5 +1,5 @@
 {
-  "best_val_loss": 0.010676275007426739,
+  "best_val_loss": 0.05456165224313736,
   "comet_ai_key": null,
   "context_observations": {
     "add_rem": true,
@@ -14,11 +14,23 @@
   },
   "debug_test": true,
   "dosing": {
-    "dose": 1.0,
-    "route": "oral",
+    "logdose_mean_range": [
+      -2.0,
+      2.0
+    ],
+    "logdose_std_range": [
+      0.1,
+      0.5
+    ],
+    "num_individuals": 10,
+    "route_options": [
+      "oral",
+      "iv"
+    ],
+    "same_route": true,
     "time": 0.0
   },
-  "experiment_dir": "/home/cesarali/Pharma/generative_pk/results/comet/node_pk_compartments/9644281f488f4122a2fbf3ee4057e0cb",
+  "experiment_dir": "/home/cesarali/Pharma/generative_pk/results/comet/node_pk_compartments/ac1495db69aa4ea68f6891e0bb9510cb",
   "experiment_indentifier": null,
   "experiment_name": "node_pk_compartments",
   "hf_model_card_path": [
@@ -167,42 +179,42 @@
   "name_str": "NeuralProcessPK",
   "network": {
     "activation": "ReLU",
-    "aggregator_num_heads": 2,
+    "aggregator_num_heads": 8,
     "aggregator_type": "attention",
     "combine_latent_mode": "mlp",
     "cov_proj_dim": 16,
     "decoder_attention_layers": 2,
-    "decoder_hidden_dim": 128,
+    "decoder_hidden_dim": 512,
     "decoder_name": "TransformerDecoder",
-    "decoder_num_layers": 2,
-    "decoder_rnn_hidden_dim": 200,
+    "decoder_num_layers": 4,
+    "decoder_rnn_hidden_dim": 256,
     "drift_activation": "Tanh",
-    "drift_num_layers": 3,
+    "drift_num_layers": 2,
     "dropout": 0.1,
-    "encoder_rnn_hidden_dim": 200,
+    "encoder_rnn_hidden_dim": 256,
     "exclusive_node_step": false,
     "individual_encoder_name": "RNNContextEncoder",
     "individual_encoder_number_of_heads": 4,
-    "init_hidden_num_layers": 2,
+    "init_hidden_num_layers": 4,
     "input_encoding_hidden_dim": 128,
-    "loss_name": "log_nll",
+    "loss_name": "nll",
     "node_step": true,
     "norm": "layer",
-    "output_head_num_layers": 2,
-    "prediction_latent_deterministic": true,
+    "output_head_num_layers": 3,
+    "prediction_latent_deterministic": false,
     "prediction_only": false,
     "rnn_decoder_number_of_layers": 4,
-    "rnn_individual_encoder_number_of_layers": 2,
-    "study_latent_deterministic": true,
-    "time_obs_encoder_hidden_dim": 128,
-    "time_obs_encoder_output_dim": 128,
+    "rnn_individual_encoder_number_of_layers": 4,
+    "study_latent_deterministic": false,
+    "time_obs_encoder_hidden_dim": 256,
+    "time_obs_encoder_output_dim": 256,
     "use_attention": true,
     "use_invariance_loss": true,
     "use_kl_i": true,
     "use_kl_i_np": true,
     "use_kl_init": true,
     "use_kl_s": true,
-    "zi_latent_dim": 200
+    "zi_latent_dim": 256
   },
   "run_index": 0,
   "tags": [

pytorch_model.bin

@@ -1,3 +1,3 @@
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+size 38753907