Implemented a base class for ACSD and mutual information

mala-project · Nov 26, 2024 · 69e9a9c · 69e9a9c
1 parent f5570cc
commit 69e9a9c
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Showing 8 changed files with 599 additions and 785 deletions.
diff --git a/mala/__init__.py b/mala/__init__.py
@@ -40,7 +40,7 @@
     HyperparameterOAT,
     HyperparameterNASWOT,
     HyperparameterOptuna,
-    HyperparameterACSD,
+    HyperparameterDescriptorScoring,
     ACSDAnalyzer,
     Runner,
 )

diff --git a/mala/common/parameters.py b/mala/common/parameters.py
@@ -1101,6 +1101,7 @@ def __init__(self):
 
         # For accelerated hyperparameter optimization.
         self.acsd_points = 100
+        self.mutual_information_points = 20000
 
     @property
     def rdb_storage_heartbeat(self):

diff --git a/mala/network/__init__.py b/mala/network/__init__.py
@@ -11,6 +11,6 @@
 from .hyperparameter_oat import HyperparameterOAT
 from .hyperparameter_naswot import HyperparameterNASWOT
 from .hyperparameter_optuna import HyperparameterOptuna
-from .hyperparameter_acsd import HyperparameterACSD
+from .hyperparameter_descriptor_scoring import HyperparameterDescriptorScoring
 from .acsd_analyzer import ACSDAnalyzer
 from .runner import Runner