compare apples to apples

ziatdinovmax · Dec 3, 2024 · 4d9dfa9 · 4d9dfa9
1 parent f11750b
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Showing 11 changed files with 61 additions and 11 deletions.
diff --git a/...learning_scripts/esol/comparison_plot.png → ...ing_scripts/esol/comparison_plot-silu.png b/...learning_scripts/esol/comparison_plot.png → ...ing_scripts/esol/comparison_plot-silu.png
diff --git a/active_learning_scripts/esol/comparison_plot-tanh.png b/active_learning_scripts/esol/comparison_plot-tanh.png
diff --git a/active_learning_scripts/esol/dkl.py b/active_learning_scripts/esol/dkl.py
@@ -315,7 +315,7 @@ def main():
         "--activation",
         type=str,
         choices=["tanh", "relu", "silu"],
-        default="silu",
+        default="tanh",
         help="Activation function to use"
     )
     parser.add_argument(

diff --git a/...rning_scripts/esol/final_results_bars.png → ..._scripts/esol/final_results_bars-silu.png b/...rning_scripts/esol/final_results_bars.png → ..._scripts/esol/final_results_bars-silu.png
diff --git a/active_learning_scripts/esol/final_results_bars-tanh.png b/active_learning_scripts/esol/final_results_bars-tanh.png
diff --git a/...e_learning_scripts/esol/results/dkl/esol_dkl_comparison_latent2_tanh_20241202_191321.json b/...e_learning_scripts/esol/results/dkl/esol_dkl_comparison_latent2_tanh_20241202_191321.json
@@ -0,0 +1,25 @@
+{
+  "parameters": {
+    "latent_dims": [
+      2,
+      4
+    ],
+    "seeds": [
+      1,
+      2,
+      3,
+      4,
+      5
+    ],
+    "exploration_steps": 200,
+    "num_epochs": 1000,
+    "learning_rate": 0.01,
+    "output_dir": "results/dkl",
+    "input_file": "esol.npz",
+    "activation": "tanh",
+    "experiment_name": "esol_dkl_comparison",
+    "latent_dim": 2
+  },
+  "timestamp": "2024-12-02T19:13:21.681819",
+  "results_file": "esol_dkl_comparison_latent2_tanh_20241202_191321.pkl"
+}
diff --git a/...ve_learning_scripts/esol/results/dkl/esol_dkl_comparison_latent2_tanh_20241202_191321.pkl b/...ve_learning_scripts/esol/results/dkl/esol_dkl_comparison_latent2_tanh_20241202_191321.pkl
diff --git a/...e_learning_scripts/esol/results/dkl/esol_dkl_comparison_latent4_tanh_20241202_194135.json b/...e_learning_scripts/esol/results/dkl/esol_dkl_comparison_latent4_tanh_20241202_194135.json
@@ -0,0 +1,25 @@
+{
+  "parameters": {
+    "latent_dims": [
+      2,
+      4
+    ],
+    "seeds": [
+      1,
+      2,
+      3,
+      4,
+      5
+    ],
+    "exploration_steps": 200,
+    "num_epochs": 1000,
+    "learning_rate": 0.01,
+    "output_dir": "results/dkl",
+    "input_file": "esol.npz",
+    "activation": "tanh",
+    "experiment_name": "esol_dkl_comparison",
+    "latent_dim": 4
+  },
+  "timestamp": "2024-12-02T19:41:35.473449",
+  "results_file": "esol_dkl_comparison_latent4_tanh_20241202_194135.pkl"
+}
diff --git a/...ve_learning_scripts/esol/results/dkl/esol_dkl_comparison_latent4_tanh_20241202_194135.pkl b/...ve_learning_scripts/esol/results/dkl/esol_dkl_comparison_latent4_tanh_20241202_194135.pkl
diff --git a/active_learning_scripts/esol/viz.ipynb b/active_learning_scripts/esol/viz.ipynb
diff --git a/active_learning_scripts/freesolv/dkl.py b/active_learning_scripts/freesolv/dkl.py
@@ -315,7 +315,7 @@ def main():
         "--activation",
         type=str,
         choices=["tanh", "relu", "silu"],
-        default="relu",
+        default="tanh",
         help="Activation function to use"
     )
     parser.add_argument(