Skip to content

Commit ad1b5fd

Browse files
Merge pull request mala-project#513 from RandomDefaultUser/quickfix_acsd
Quickfixing the ACSD
2 parents eed959c + cdcf1b4 commit ad1b5fd

10 files changed

Lines changed: 810 additions & 703 deletions

mala/__init__.py

Lines changed: 2 additions & 1 deletion
Original file line numberDiff line numberDiff line change
@@ -40,9 +40,10 @@
4040
HyperparameterOAT,
4141
HyperparameterNASWOT,
4242
HyperparameterOptuna,
43-
HyperparameterACSD,
43+
HyperparameterDescriptorScoring,
4444
ACSDAnalyzer,
4545
Runner,
46+
MutualInformationAnalyzer,
4647
)
4748
from .targets import LDOS, DOS, Density, fermi_function, AtomicForce, Target
4849
from .interfaces import MALA

mala/common/parameters.py

Lines changed: 1 addition & 0 deletions
Original file line numberDiff line numberDiff line change
@@ -1101,6 +1101,7 @@ def __init__(self):
11011101

11021102
# For accelerated hyperparameter optimization.
11031103
self.acsd_points = 100
1104+
self.mutual_information_points = 20000
11041105

11051106
@property
11061107
def rdb_storage_heartbeat(self):

mala/network/__init__.py

Lines changed: 2 additions & 1 deletion
Original file line numberDiff line numberDiff line change
@@ -11,6 +11,7 @@
1111
from .hyperparameter_oat import HyperparameterOAT
1212
from .hyperparameter_naswot import HyperparameterNASWOT
1313
from .hyperparameter_optuna import HyperparameterOptuna
14-
from .hyperparameter_acsd import HyperparameterACSD
14+
from .hyperparameter_descriptor_scoring import HyperparameterDescriptorScoring
1515
from .acsd_analyzer import ACSDAnalyzer
16+
from .mutual_information_analyzer import MutualInformationAnalyzer
1617
from .runner import Runner

0 commit comments

Comments
 (0)