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Merged
RaulFD-creator merged 3 commits into from
Apr 20, 2026
Merged

🛠️ Minor changes to hparam spaces #168

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ae6f878
🪲 Avoid linreg logreg hparam ambiguity
RaulFD-creator Apr 20, 2026
de5f330
🛠️ Reduce HParam for increased comp efficiency
RaulFD-creator Apr 20, 2026
53cb3bd
🪲 Better control verbosity trainer
RaulFD-creator Apr 20, 2026
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4 changes: 2 additions & 2 deletions autopeptideml/data/h_param_search/gradboost_class.yml
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Original file line number Diff line number Diff line change
@@ -1,7 +1,7 @@
n_estimators:
type: int
min: 10
max: 1000
min: 8
max: 256
log: True

learning_rate:
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4 changes: 2 additions & 2 deletions autopeptideml/data/h_param_search/gradboost_reg.yml
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Original file line number Diff line number Diff line change
@@ -1,7 +1,7 @@
n_estimators:
type: int
min: 10
max: 1000
min: 8
max: 256
log: True

learning_rate:
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8 changes: 4 additions & 4 deletions autopeptideml/data/h_param_search/lightgbm_class.yml
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Original file line number Diff line number Diff line change
@@ -1,7 +1,7 @@
n_estimators:
type: int
min: 10
max: 500
min: 8
max: 256
log: False

class_weight:
Expand All @@ -11,13 +11,13 @@ class_weight:
num_leaves:
type: int
min: 8
max: 1024
max: 256
log: False

max_depth:
type: int
min: 2
max: 10
max: 8
log: False

subsample:
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8 changes: 4 additions & 4 deletions autopeptideml/data/h_param_search/lightgbm_reg.yml
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Original file line number Diff line number Diff line change
@@ -1,19 +1,19 @@
n_estimators:
type: int
min: 10
max: 500
min: 8
max: 256
log: False

num_leaves:
type: int
min: 8
max: 1024
max: 256
log: False

max_depth:
type: int
min: 2
max: 10
max: 8
log: False

subsample:
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2 changes: 1 addition & 1 deletion autopeptideml/data/h_param_search/rf_class.yml
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Original file line number Diff line number Diff line change
@@ -1,7 +1,7 @@
n_estimators:
type: int
min: 10
max: 1000
max: 100
log: True

max_depth:
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2 changes: 1 addition & 1 deletion autopeptideml/data/h_param_search/rf_reg.yml
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Original file line number Diff line number Diff line change
@@ -1,7 +1,7 @@
n_estimators:
type: int
min: 10
max: 1000
max: 100
log: True

max_depth:
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7 changes: 3 additions & 4 deletions autopeptideml/data/h_param_search/xgboost_class.yml
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Original file line number Diff line number Diff line change
@@ -1,7 +1,7 @@
n_estimators:
type: int
min: 10
max: 1000
min: 8
max: 256
log: True

learning_rate:
Expand Down Expand Up @@ -87,7 +87,6 @@ grow_policy:
- depthwise
- lossguide


sampling_method:
type: fixed
value: uniform
Expand All @@ -102,4 +101,4 @@ verbose:

n_jobs:
type: fixed
value: 1
value: 1
4 changes: 2 additions & 2 deletions autopeptideml/data/h_param_search/xgboost_reg.yml
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Original file line number Diff line number Diff line change
@@ -1,7 +1,7 @@
n_estimators:
type: int
min: 10
max: 1000
min: 8
max: 256
log: True

learning_rate:
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2 changes: 1 addition & 1 deletion autopeptideml/train/architectures.py
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Original file line number Diff line number Diff line change
Expand Up @@ -12,7 +12,7 @@
from skl2onnx import to_onnx


SKLEARN_MODELS = ['knn', 'svm', 'rf', 'gradboost', 'logreg', 'linreg']
SKLEARN_MODELS = ['knn', 'svm', 'rf', 'gradboost']
ALL_MODELS = SKLEARN_MODELS + ['lightgbm', 'xgboost']


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9 changes: 6 additions & 3 deletions autopeptideml/train/trainer.py
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Original file line number Diff line number Diff line change
Expand Up @@ -517,9 +517,12 @@ def hpo(
"Please try: `pip install optuna`")
if verbose < 1:
optuna.logging.set_verbosity(optuna.logging.ERROR)
elif verbose < 3:
elif verbose == 1:
optuna.logging.set_verbosity(optuna.logging.WARNING)

elif verbose == 2:
optuna.logging.set_verbosity(optuna.logging.INFO)
elif verbose == 3:
optuna.logging.set_verbosity(optuna.logging.DEBUG)
if isinstance(x, np.ndarray):
x = {'default': x}

Expand Down Expand Up @@ -567,7 +570,7 @@ def hpo(
)
self.study.optimize(self._hpo_step, n_trials=self.n_trials,
callbacks=[callback],
gc_after_trial=True, show_progress_bar=verbose == 2)
gc_after_trial=True, show_progress_bar=verbose >= 2)

@classmethod
def load_from_db(
Expand Down