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src/lrmc_cache/lrmc_PROTEINS_eps1000.0_ratio0.5_min4_maxinf.pkl

@@ -0,0 +1,3 @@
+version https://git-lfs.github.com/spec/v1
+oid sha256:82287b71e1bd343c4822a8bf967616d997e58b8c438112f502e5c776d2a9a89a
+size 3528700

src/lrmc_outputs/hyperparameter_results.csv

@@ -0,0 +1,21 @@
+epsilon,target_ratio,batch_size,lr,dropout,kfold_splits,seed,min_size,hidden,wd,epochs,accuracy,run_file,cache_file
+0.01,0.4,64,0.001,0.1,10,42,4,64,0.001,500,CV mean acc: 73.32% ± 3.99%,./modal_results/PROTEINS_RUN_05d29091.json,./modal_results/lrmc_cache/RUN_05d29091_lrmc_PROTEINS_eps0.01_ratio0.4_min4_maxinf.pkl
+0.0001,0.4,64,0.001,0.1,10,42,4,64,0.001,500,CV mean acc: 73.23% ± 4.04%,./modal_results/PROTEINS_RUN_3258f141.json,./modal_results/lrmc_cache/RUN_3258f141_lrmc_PROTEINS_eps0.0001_ratio0.4_min4_maxinf.pkl
+100.0,0.3,64,0.001,0.1,10,42,4,64,0.001,500,CV mean acc: 72.96% ± 2.93%,./modal_results/PROTEINS_RUN_4033d2ef.json,./modal_results/lrmc_cache/RUN_4033d2ef_lrmc_PROTEINS_eps100.0_ratio0.3_min4_maxinf.pkl
+0.01,0.2,64,0.001,0.1,10,42,4,64,0.001,500,CV mean acc: 74.31% ± 4.15%,./modal_results/PROTEINS_RUN_4273a165.json,./modal_results/lrmc_cache/RUN_4273a165_lrmc_PROTEINS_eps0.01_ratio0.2_min4_maxinf.pkl
+0.1,0.3,64,0.001,0.1,10,42,4,64,0.001,500,CV mean acc: 73.14% ± 4.25%,./modal_results/PROTEINS_RUN_57312135.json,./modal_results/lrmc_cache/RUN_57312135_lrmc_PROTEINS_eps0.1_ratio0.3_min4_maxinf.pkl
+100.0,0.2,64,0.001,0.1,10,42,4,64,0.001,500,CV mean acc: 72.60% ± 3.57%,./modal_results/PROTEINS_RUN_5a2667d1.json,./modal_results/lrmc_cache/RUN_5a2667d1_lrmc_PROTEINS_eps100.0_ratio0.2_min4_maxinf.pkl
+0.0001,0.3,64,0.001,0.1,10,42,4,64,0.001,500,CV mean acc: 73.23% ± 4.05%,./modal_results/PROTEINS_RUN_631cdf29.json,./modal_results/lrmc_cache/RUN_631cdf29_lrmc_PROTEINS_eps0.0001_ratio0.3_min4_maxinf.pkl
+0.0001,0.2,64,0.001,0.1,10,42,4,64,0.001,500,CV mean acc: 74.04% ± 4.67%,./modal_results/PROTEINS_RUN_68530acd.json,./modal_results/lrmc_cache/RUN_68530acd_lrmc_PROTEINS_eps0.0001_ratio0.2_min4_maxinf.pkl
+100.0,0.4,64,0.001,0.1,10,42,4,64,0.001,500,CV mean acc: 72.24% ± 3.95%,./modal_results/PROTEINS_RUN_8f967c90.json,./modal_results/lrmc_cache/RUN_8f967c90_lrmc_PROTEINS_eps100.0_ratio0.4_min4_maxinf.pkl
+0.1,0.2,64,0.001,0.1,10,42,4,64,0.001,500,CV mean acc: 74.04% ± 4.46%,./modal_results/PROTEINS_RUN_91d8c798.json,./modal_results/lrmc_cache/RUN_91d8c798_lrmc_PROTEINS_eps0.1_ratio0.2_min4_maxinf.pkl
+0.1,0.5,64,0.001,0.1,10,42,4,64,0.001,500,CV mean acc: 72.42% ± 3.47%,./modal_results/PROTEINS_RUN_93a023dc.json,./modal_results/lrmc_cache/RUN_93a023dc_lrmc_PROTEINS_eps0.1_ratio0.5_min4_maxinf.pkl
+0.1,0.4,64,0.001,0.1,10,42,4,64,0.001,500,CV mean acc: 73.32% ± 4.30%,./modal_results/PROTEINS_RUN_9ed5f7f0.json,./modal_results/lrmc_cache/RUN_9ed5f7f0_lrmc_PROTEINS_eps0.1_ratio0.4_min4_maxinf.pkl
+0.0001,0.5,64,0.001,0.1,10,42,4,64,0.001,500,CV mean acc: 72.60% ± 4.70%,./modal_results/PROTEINS_RUN_b813ebba.json,./modal_results/lrmc_cache/RUN_b813ebba_lrmc_PROTEINS_eps0.0001_ratio0.5_min4_maxinf.pkl
+100.0,0.5,64,0.001,0.1,10,42,4,64,0.001,500,CV mean acc: 72.87% ± 3.55%,./modal_results/PROTEINS_RUN_c59933eb.json,./modal_results/lrmc_cache/RUN_c59933eb_lrmc_PROTEINS_eps100.0_ratio0.5_min4_maxinf.pkl
+1e-06,0.3,64,0.001,0.1,10,42,4,64,0.001,500,CV mean acc: 74.03% ± 2.42%,./modal_results/PROTEINS_RUN_cb543281.json,./modal_results/lrmc_cache/RUN_cb543281_lrmc_PROTEINS_eps1e-06_ratio0.3_min4_maxinf.pkl
+1e-06,0.2,64,0.001,0.1,10,42,4,64,0.001,500,CV mean acc: 74.31% ± 4.15%,./modal_results/PROTEINS_RUN_ce65f7bf.json,./modal_results/lrmc_cache/RUN_ce65f7bf_lrmc_PROTEINS_eps1e-06_ratio0.2_min4_maxinf.pkl
+0.01,0.3,64,0.001,0.1,10,42,4,64,0.001,500,CV mean acc: 73.32% ± 3.93%,./modal_results/PROTEINS_RUN_d08597ac.json,./modal_results/lrmc_cache/RUN_d08597ac_lrmc_PROTEINS_eps0.01_ratio0.3_min4_maxinf.pkl
+0.01,0.5,64,0.001,0.1,10,42,4,64,0.001,500,CV mean acc: 72.96% ± 4.43%,./modal_results/PROTEINS_RUN_e1558452.json,./modal_results/lrmc_cache/RUN_e1558452_lrmc_PROTEINS_eps0.01_ratio0.5_min4_maxinf.pkl
+1e-06,0.5,64,0.001,0.1,10,42,4,64,0.001,500,CV mean acc: 72.78% ± 4.87%,./modal_results/PROTEINS_RUN_e91c1362.json,./modal_results/lrmc_cache/RUN_e91c1362_lrmc_PROTEINS_eps1e-06_ratio0.5_min4_maxinf.pkl
+1e-06,0.4,64,0.001,0.1,10,42,4,64,0.001,500,CV mean acc: 73.77% ± 3.86%,./modal_results/PROTEINS_RUN_f86d9d48.json,./modal_results/lrmc_cache/RUN_f86d9d48_lrmc_PROTEINS_eps1e-06_ratio0.4_min4_maxinf.pkl

src/lrmc_pool_proteins.py

@@ -163,17 +163,11 @@ def get_lrmc_cache_key(dataset_name: str, epsilon: float, target_ratio: float, m
     key_str = str(sorted(key_data.items()))
     return hashlib.md5(key_str.encode()).hexdigest()[:16]
 
-def get_cache_filename(dataset_name: str, epsilon: float, target_ratio: float, min_size: int, max_clusters: Optional[int]) -> str:
-    """Generate a human-readable cache filename."""
-    max_clusters_str = str(max_clusters) if max_clusters is not None else "inf"
-    return f"lrmc_{dataset_name}_eps{epsilon}_ratio{target_ratio}_min{min_size}_max{max_clusters_str}.pkl"
-
 def save_lrmc_cache(dataset, cache_path: str, config: dict):
     """Save LRMC-processed dataset to cache."""
     cache_data = {
         'dataset': dataset,
-        'lrmc_config': {k: v for k, v in config.items() 
-                       if k in ['dataset_name', 'epsilon', 'target_ratio', 'min_size', 'max_clusters']},
+        'lrmc_config': config,
         'version': '1.0'
     }
     os.makedirs(os.path.dirname(cache_path), exist_ok=True)
@@ -190,10 +184,14 @@ def load_lrmc_cache(cache_path: str):
 
 def validate_cache_config(cached_config: dict, current_config: dict) -> bool:
     """Check if cached config matches current LRMC config."""
-    lrmc_keys = ['dataset_name', 'epsilon', 'target_ratio', 'min_size', 'max_clusters']
-    for key in lrmc_keys:
-        if cached_config.get(key) != current_config.get(key):
+    lrmc_keys = current_config.keys()
+
+    excluded = {'dataset_root', 'epochs', 'kfold_splits', 'seed', 'batch_size'}
+    for key in cached_config:
+        if cached_config.get(key) != current_config.get(key) and (key not in excluded):
             print(f"Cache config mismatch for {key}: cached={cached_config.get(key)}, current={current_config.get(key)}")
+            print(cached_config)
+            print(current_config)
             return False
     return True
 

src/modal_results/PROTEINS_RUN_05d29091.json

@@ -0,0 +1,20 @@
+{
+  "meta": {
+    "kfold_splits": "10",
+    "seed": "42",
+    "epsilon": 0.01,
+    "target_ratio": 0.4,
+    "min_size": 4,
+    "batch_size": 64,
+    "hidden": 64,
+    "lr": 0.001,
+    "wd": 0.001,
+    "epochs": 500,
+    "dropout": 0.1
+  },
+  "output": null,
+  "stderr": null,
+  "return_code": 0,
+  "pickle_file": "RUN_05d29091_lrmc_PROTEINS_eps0.01_ratio0.4_min4_maxinf.pkl",
+  "pickle_path": "lrmc_cache/RUN_05d29091_lrmc_PROTEINS_eps0.01_ratio0.4_min4_maxinf.pkl"
+}

src/modal_results/PROTEINS_RUN_3258f141.json

@@ -0,0 +1,20 @@
+{
+  "meta": {
+    "kfold_splits": "10",
+    "seed": "42",
+    "epsilon": 0.0001,
+    "target_ratio": 0.4,
+    "min_size": 4,
+    "batch_size": 64,
+    "hidden": 64,
+    "lr": 0.001,
+    "wd": 0.001,
+    "epochs": 500,
+    "dropout": 0.1
+  },
+  "output": null,
+  "stderr": null,
+  "return_code": 0,
+  "pickle_file": "RUN_3258f141_lrmc_PROTEINS_eps0.0001_ratio0.4_min4_maxinf.pkl",
+  "pickle_path": "lrmc_cache/RUN_3258f141_lrmc_PROTEINS_eps0.0001_ratio0.4_min4_maxinf.pkl"
+}

src/modal_results/PROTEINS_RUN_4033d2ef.json

@@ -0,0 +1,20 @@
+{
+  "meta": {
+    "kfold_splits": "10",
+    "seed": "42",
+    "epsilon": 100.0,
+    "target_ratio": 0.3,
+    "min_size": 4,
+    "batch_size": 64,
+    "hidden": 64,
+    "lr": 0.001,
+    "wd": 0.001,
+    "epochs": 500,
+    "dropout": 0.1
+  },
+  "output": null,
+  "stderr": null,
+  "return_code": 0,
+  "pickle_file": "RUN_4033d2ef_lrmc_PROTEINS_eps100.0_ratio0.3_min4_maxinf.pkl",
+  "pickle_path": "lrmc_cache/RUN_4033d2ef_lrmc_PROTEINS_eps100.0_ratio0.3_min4_maxinf.pkl"
+}

src/modal_results/PROTEINS_RUN_4273a165.json

@@ -0,0 +1,20 @@
+{
+  "meta": {
+    "kfold_splits": "10",
+    "seed": "42",
+    "epsilon": 0.01,
+    "target_ratio": 0.2,
+    "min_size": 4,
+    "batch_size": 64,
+    "hidden": 64,
+    "lr": 0.001,
+    "wd": 0.001,
+    "epochs": 500,
+    "dropout": 0.1
+  },
+  "output": null,
+  "stderr": null,
+  "return_code": 0,
+  "pickle_file": "RUN_4273a165_lrmc_PROTEINS_eps0.01_ratio0.2_min4_maxinf.pkl",
+  "pickle_path": "lrmc_cache/RUN_4273a165_lrmc_PROTEINS_eps0.01_ratio0.2_min4_maxinf.pkl"
+}

src/modal_results/PROTEINS_RUN_57312135.json

@@ -0,0 +1,20 @@
+{
+  "meta": {
+    "kfold_splits": "10",
+    "seed": "42",
+    "epsilon": 0.1,
+    "target_ratio": 0.3,
+    "min_size": 4,
+    "batch_size": 64,
+    "hidden": 64,
+    "lr": 0.001,
+    "wd": 0.001,
+    "epochs": 500,
+    "dropout": 0.1
+  },
+  "output": null,
+  "stderr": null,
+  "return_code": 0,
+  "pickle_file": "RUN_57312135_lrmc_PROTEINS_eps0.1_ratio0.3_min4_maxinf.pkl",
+  "pickle_path": "lrmc_cache/RUN_57312135_lrmc_PROTEINS_eps0.1_ratio0.3_min4_maxinf.pkl"
+}

src/modal_results/PROTEINS_RUN_5a2667d1.json

@@ -0,0 +1,20 @@
+{
+  "meta": {
+    "kfold_splits": "10",
+    "seed": "42",
+    "epsilon": 100.0,
+    "target_ratio": 0.2,
+    "min_size": 4,
+    "batch_size": 64,
+    "hidden": 64,
+    "lr": 0.001,
+    "wd": 0.001,
+    "epochs": 500,
+    "dropout": 0.1
+  },
+  "output": null,
+  "stderr": null,
+  "return_code": 0,
+  "pickle_file": "RUN_5a2667d1_lrmc_PROTEINS_eps100.0_ratio0.2_min4_maxinf.pkl",
+  "pickle_path": "lrmc_cache/RUN_5a2667d1_lrmc_PROTEINS_eps100.0_ratio0.2_min4_maxinf.pkl"
+}

src/modal_results/PROTEINS_RUN_631cdf29.json

@@ -0,0 +1,20 @@
+{
+  "meta": {
+    "kfold_splits": "10",
+    "seed": "42",
+    "epsilon": 0.0001,
+    "target_ratio": 0.3,
+    "min_size": 4,
+    "batch_size": 64,
+    "hidden": 64,
+    "lr": 0.001,
+    "wd": 0.001,
+    "epochs": 500,
+    "dropout": 0.1
+  },
+  "output": null,
+  "stderr": null,
+  "return_code": 0,
+  "pickle_file": "RUN_631cdf29_lrmc_PROTEINS_eps0.0001_ratio0.3_min4_maxinf.pkl",
+  "pickle_path": "lrmc_cache/RUN_631cdf29_lrmc_PROTEINS_eps0.0001_ratio0.3_min4_maxinf.pkl"
+}

src/modal_results/PROTEINS_RUN_68530acd.json

@@ -0,0 +1,20 @@
+{
+  "meta": {
+    "kfold_splits": "10",
+    "seed": "42",
+    "epsilon": 0.0001,
+    "target_ratio": 0.2,
+    "min_size": 4,
+    "batch_size": 64,
+    "hidden": 64,
+    "lr": 0.001,
+    "wd": 0.001,
+    "epochs": 500,
+    "dropout": 0.1
+  },
+  "output": null,
+  "stderr": null,
+  "return_code": 0,
+  "pickle_file": "RUN_68530acd_lrmc_PROTEINS_eps0.0001_ratio0.2_min4_maxinf.pkl",
+  "pickle_path": "lrmc_cache/RUN_68530acd_lrmc_PROTEINS_eps0.0001_ratio0.2_min4_maxinf.pkl"
+}

src/modal_results/PROTEINS_RUN_8f967c90.json

@@ -0,0 +1,20 @@
+{
+  "meta": {
+    "kfold_splits": "10",
+    "seed": "42",
+    "epsilon": 100.0,
+    "target_ratio": 0.4,
+    "min_size": 4,
+    "batch_size": 64,
+    "hidden": 64,
+    "lr": 0.001,
+    "wd": 0.001,
+    "epochs": 500,
+    "dropout": 0.1
+  },
+  "output": null,
+  "stderr": null,
+  "return_code": 0,
+  "pickle_file": "RUN_8f967c90_lrmc_PROTEINS_eps100.0_ratio0.4_min4_maxinf.pkl",
+  "pickle_path": "lrmc_cache/RUN_8f967c90_lrmc_PROTEINS_eps100.0_ratio0.4_min4_maxinf.pkl"
+}

src/modal_results/PROTEINS_RUN_91d8c798.json

@@ -0,0 +1,20 @@
+{
+  "meta": {
+    "kfold_splits": "10",
+    "seed": "42",
+    "epsilon": 0.1,
+    "target_ratio": 0.2,
+    "min_size": 4,
+    "batch_size": 64,
+    "hidden": 64,
+    "lr": 0.001,
+    "wd": 0.001,
+    "epochs": 500,
+    "dropout": 0.1
+  },
+  "output": null,
+  "stderr": null,
+  "return_code": 0,
+  "pickle_file": "RUN_91d8c798_lrmc_PROTEINS_eps0.1_ratio0.2_min4_maxinf.pkl",
+  "pickle_path": "lrmc_cache/RUN_91d8c798_lrmc_PROTEINS_eps0.1_ratio0.2_min4_maxinf.pkl"
+}

src/modal_results/PROTEINS_RUN_93a023dc.json

@@ -0,0 +1,20 @@
+{
+  "meta": {
+    "kfold_splits": "10",
+    "seed": "42",
+    "epsilon": 0.1,
+    "target_ratio": 0.5,
+    "min_size": 4,
+    "batch_size": 64,
+    "hidden": 64,
+    "lr": 0.001,
+    "wd": 0.001,
+    "epochs": 500,
+    "dropout": 0.1
+  },
+  "output": null,
+  "stderr": null,
+  "return_code": 0,
+  "pickle_file": "RUN_93a023dc_lrmc_PROTEINS_eps0.1_ratio0.5_min4_maxinf.pkl",
+  "pickle_path": "lrmc_cache/RUN_93a023dc_lrmc_PROTEINS_eps0.1_ratio0.5_min4_maxinf.pkl"
+}

src/modal_results/PROTEINS_RUN_9ed5f7f0.json

@@ -0,0 +1,20 @@
+{
+  "meta": {
+    "kfold_splits": "10",
+    "seed": "42",
+    "epsilon": 0.1,
+    "target_ratio": 0.4,
+    "min_size": 4,
+    "batch_size": 64,
+    "hidden": 64,
+    "lr": 0.001,
+    "wd": 0.001,
+    "epochs": 500,
+    "dropout": 0.1
+  },
+  "output": null,
+  "stderr": null,
+  "return_code": 0,
+  "pickle_file": "RUN_9ed5f7f0_lrmc_PROTEINS_eps0.1_ratio0.4_min4_maxinf.pkl",
+  "pickle_path": "lrmc_cache/RUN_9ed5f7f0_lrmc_PROTEINS_eps0.1_ratio0.4_min4_maxinf.pkl"
+}

src/modal_results/PROTEINS_RUN_b813ebba.json

@@ -0,0 +1,20 @@
+{
+  "meta": {
+    "kfold_splits": "10",
+    "seed": "42",
+    "epsilon": 0.0001,
+    "target_ratio": 0.5,
+    "min_size": 4,
+    "batch_size": 64,
+    "hidden": 64,
+    "lr": 0.001,
+    "wd": 0.001,
+    "epochs": 500,
+    "dropout": 0.1
+  },
+  "output": null,
+  "stderr": null,
+  "return_code": 0,
+  "pickle_file": "RUN_b813ebba_lrmc_PROTEINS_eps0.0001_ratio0.5_min4_maxinf.pkl",
+  "pickle_path": "lrmc_cache/RUN_b813ebba_lrmc_PROTEINS_eps0.0001_ratio0.5_min4_maxinf.pkl"
+}

src/modal_results/PROTEINS_RUN_c59933eb.json

@@ -0,0 +1,20 @@
+{
+  "meta": {
+    "kfold_splits": "10",
+    "seed": "42",
+    "epsilon": 100.0,
+    "target_ratio": 0.5,
+    "min_size": 4,
+    "batch_size": 64,
+    "hidden": 64,
+    "lr": 0.001,
+    "wd": 0.001,
+    "epochs": 500,
+    "dropout": 0.1
+  },
+  "output": null,
+  "stderr": null,
+  "return_code": 0,
+  "pickle_file": "RUN_c59933eb_lrmc_PROTEINS_eps100.0_ratio0.5_min4_maxinf.pkl",
+  "pickle_path": "lrmc_cache/RUN_c59933eb_lrmc_PROTEINS_eps100.0_ratio0.5_min4_maxinf.pkl"
+}

src/modal_results/PROTEINS_RUN_cb543281.json

@@ -0,0 +1,20 @@
+{
+  "meta": {
+    "kfold_splits": "10",
+    "seed": "42",
+    "epsilon": 1e-06,
+    "target_ratio": 0.3,
+    "min_size": 4,
+    "batch_size": 64,
+    "hidden": 64,
+    "lr": 0.001,
+    "wd": 0.001,
+    "epochs": 500,
+    "dropout": 0.1
+  },
+  "output": null,
+  "stderr": null,
+  "return_code": 0,
+  "pickle_file": "RUN_cb543281_lrmc_PROTEINS_eps1e-06_ratio0.3_min4_maxinf.pkl",
+  "pickle_path": "lrmc_cache/RUN_cb543281_lrmc_PROTEINS_eps1e-06_ratio0.3_min4_maxinf.pkl"
+}

src/modal_results/PROTEINS_RUN_ce65f7bf.json

@@ -0,0 +1,20 @@
+{
+  "meta": {
+    "kfold_splits": "10",
+    "seed": "42",
+    "epsilon": 1e-06,
+    "target_ratio": 0.2,
+    "min_size": 4,
+    "batch_size": 64,
+    "hidden": 64,
+    "lr": 0.001,
+    "wd": 0.001,
+    "epochs": 500,
+    "dropout": 0.1
+  },
+  "output": null,
+  "stderr": null,
+  "return_code": 0,
+  "pickle_file": "RUN_ce65f7bf_lrmc_PROTEINS_eps1e-06_ratio0.2_min4_maxinf.pkl",
+  "pickle_path": "lrmc_cache/RUN_ce65f7bf_lrmc_PROTEINS_eps1e-06_ratio0.2_min4_maxinf.pkl"
+}

src/modal_results/PROTEINS_RUN_d08597ac.json

@@ -0,0 +1,20 @@
+{
+  "meta": {
+    "kfold_splits": "10",
+    "seed": "42",
+    "epsilon": 0.01,
+    "target_ratio": 0.3,
+    "min_size": 4,
+    "batch_size": 64,
+    "hidden": 64,
+    "lr": 0.001,
+    "wd": 0.001,
+    "epochs": 500,
+    "dropout": 0.1
+  },
+  "output": null,
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