force_run

Author: bartzbeielstein

notebooks/00_spotPython_tests.ipynb

@@ -7,7 +7,7 @@ build-backend = "setuptools.build_meta"
 
 [project]
 name = "spotpython"
-version = "0.23.1"
+version = "0.23.2"
 authors = [
   { name="T. Bartz-Beielstein", email="tbb@bartzundbartz.de" }
 ]

pyproject.toml

@@ -802,11 +802,12 @@ def run(self, X_start: np.ndarray = None) -> Spot:
         #
         PREFIX = self.fun_control["PREFIX"]
         filename = get_result_filename(PREFIX)
-        if os.path.exists(filename):
+        if os.path.exists(filename) and not self.fun_control.get("force_run"):
             # print a warning and load the result
             print(f"Result file {filename} exists. Loading the result.")
-            spot_tuner = load_result(filename=filename)
-            return spot_tuner
+            S = load_result(filename=filename)
+            self._copy_from(S)
+            return self
         else:
             self.initialize_design(X_start)
             self.update_stats()
@@ -829,6 +830,10 @@ def run(self, X_start: np.ndarray = None) -> Spot:
                 self.save_result(verbosity=self.verbosity)
             return self
 
+    def _copy_from(self, other):
+        for attr in other.__dict__:
+            setattr(self, attr, getattr(other, attr))
+
     def initialize_design(self, X_start=None) -> None:
         """
         Initialize design. Generate and evaluate initial design.

src/spotpython/spot/spot.py

@@ -4,8 +4,10 @@
 from scipy.optimize import differential_evolution
 import numpy as np
 import socket
+import copy
 import datetime
 from dateutil.tz import tzlocal
+from importlib.metadata import version, PackageNotFoundError
 from spotpython.hyperparameters.values import (
     add_core_model_to_fun_control,
     get_core_model_from_name,
@@ -43,6 +45,7 @@ def fun_control_init(
     enable_progress_bar=False,
     EXPERIMENT_NAME=None,
     eval=None,
+    force_run=False,
     fun_evals=15,
     fun_repeats=1,
     horizon=None,
@@ -162,6 +165,10 @@ def fun_control_init(
             The name of the experiment.
             Default is None. If None, the experiment name is generated based on the
             current date and time.
+        force_run (bool):
+            Whether to force the run or not. If a result file (PREFIX+"_run.pkl") exists, the run is mot
+            performed and the result is loaded from the file.
+            Default is False.
         fun_evals (int):
             The number of function evaluations.
         fun_repeats (int):
@@ -382,7 +389,7 @@ def fun_control_init(
     L.seed_everything(seed)
 
     if PREFIX is None:
-        PREFIX = _init_PREFIX()
+        PREFIX = _init_prefix()
 
     CHECKPOINT_PATH, DATASET_PATH, RESULTS_PATH, TENSORBOARD_PATH = setup_paths(TENSORBOARD_CLEAN)
     spot_tensorboard_path = create_spot_tensorboard_path(tensorboard_log, PREFIX)
@@ -420,6 +427,7 @@ def fun_control_init(
         "devices": devices,
         "enable_progress_bar": enable_progress_bar,
         "eval": eval,
+        "force_run": force_run,
         "fun_evals": fun_evals,
         "fun_repeats": fun_repeats,
         "horizon": horizon,
@@ -521,21 +529,26 @@ def fun_control_init(
     return fun_control
 
 
-def _init_PREFIX() -> str:
-    """Initialize the PREFIX for the experiment name.
+def _init_prefix() -> str:
+    """Initialize the prefix for the experiment name.
+    Attempts to derive the prefix from the package version. If unsuccessful,
+    defaults to '000'.
 
     Returns:
-        PREFIX (str):
-            The PREFIX for the experiment name.
+        str: The prefix for the experiment name.
 
     Examples:
-        >>> from spotpython.utils.init import _init_PREFIX
-        >>> _init_PREFIX()
+        >>> from spotpython.utils.init import _init_prefix
+        >>> _init_prefix()
         '00'
     """
-    # set the prefix to the actual date and time
-    PREFIX = datetime.datetime.now().strftime("%Y_%m_%d_%H_%M_%S")
-    return PREFIX
+    DEFAULT_PREFIX = "000"
+    try:
+        package_version = version("package_name")
+    except PackageNotFoundError:
+        package_version = DEFAULT_PREFIX
+
+    return package_version
 
 
 def setup_paths(tensorboard_clean) -> tuple:
@@ -584,8 +597,11 @@ def setup_paths(tensorboard_clean) -> tuple:
             now = datetime.datetime.now()
             os.makedirs("runs_OLD", exist_ok=True)
             # use [:-1] to remove "/" from the end of the path
-            TENSORBOARD_PATH_OLD = "runs_OLD/" + TENSORBOARD_PATH[:-1] + "_" + now.strftime("%Y_%m_%d_%H_%M_%S")
+            TENSORBOARD_PATH_OLD = "runs_OLD/" + TENSORBOARD_PATH[:-1] + "_" + now.strftime("%Y_%m_%d_%H_%M_%S") + "_" + "0"
             print(f"Moving TENSORBOARD_PATH: {TENSORBOARD_PATH} to TENSORBOARD_PATH_OLD: {TENSORBOARD_PATH_OLD}")
+            # if TENSORBOARD_PATH_OLD already exists, change the name increasing the number at the end
+            while os.path.exists(TENSORBOARD_PATH_OLD):
+                TENSORBOARD_PATH_OLD = copy.deepcopy(TENSORBOARD_PATH_OLD[:-1] + str(int(TENSORBOARD_PATH_OLD[-1]) + 1))
             os.rename(TENSORBOARD_PATH[:-1], TENSORBOARD_PATH_OLD)
 
     os.makedirs(TENSORBOARD_PATH, exist_ok=True)

src/spotpython/utils/init.py

@@ -3,7 +3,7 @@
 import pandas as pd
 from math import inf
 from spotpython.fun.objectivefunctions import Analytical
-from spotpython.spot import spot
+from spotpython.spot import Spot
 from spotpython.utils.init import fun_control_init, design_control_init
 
 def test_get_spot_attributes_as_df():
@@ -12,24 +12,25 @@ def test_get_spot_attributes_as_df():
     n = 10
     fun = Analytical().fun_sphere
     fun_control = fun_control_init(
+        PREFIX= "test_get_spot_attributes_as_df",
         lower=np.array([-1]),
         upper=np.array([1]),
         fun_evals=n
     )
     design_control = design_control_init(init_size=ni)
-    
+
     # Create instance of the Spot class
-    spot_instance = spot.Spot(
+    S = Spot(
         fun=fun,
         fun_control=fun_control,
         design_control=design_control
     )
 
     # Run the optimization
-    spot_instance.run()
+    S.run()
 
     # Get the attributes as a DataFrame
-    df = spot_instance.get_spot_attributes_as_df()
+    df = S.get_spot_attributes_as_df()
 
     # Define expected attribute names (ensure these match your Spot class' attributes)
     expected_attributes = ['X',

test/test_get_spot_attributes_as_df.py

@@ -10,27 +10,30 @@ def test_repair_non_numeric():
         fun_control_init,
         design_control_init,
     )
-
+    
     fun = Analytical().fun_branin_factor
     ni = 12
-    spot_test = Spot(
+    S = Spot(
         fun=fun,
         fun_control=fun_control_init(
-            lower=np.array([-5, -0, 1]), upper=np.array([10, 15, 3]), var_type=["num", "num", "factor"]
+            PREFIX="test_repair_non_numeric",
+            lower=np.array([-5, -0, 1]),
+            upper=np.array([10, 15, 3]),
+            var_type=["num", "num", "factor"]
         ),
         design_control=design_control_init(init_size=ni),
     )
-    spot_test.run()
+    S.run()
     # 3rd variable should be a rounded float, because it was labeled as a factor
-    assert spot_test.min_X[2] == round(spot_test.min_X[2])
+    assert S.min_X[2] == round(S.min_X[2])
 
-    spot_test.X = spot_test.generate_design(
-        size=spot_test.design_control["init_size"],
-        repeats=spot_test.design_control["repeats"],
-        lower=spot_test.lower,
-        upper=spot_test.upper,
+    S.X = S.generate_design(
+        size=S.design_control["init_size"],
+        repeats=S.design_control["repeats"],
+        lower=S.lower,
+        upper=S.upper,
     )
-    spot_test.X = repair_non_numeric(spot_test.X, spot_test.var_type)
-    assert spot_test.X.ndim == 2
-    assert spot_test.X.shape[0] == ni
-    assert spot_test.X.shape[1] == 3
+    S.X = repair_non_numeric(S.X, S.var_type)
+    assert S.X.ndim == 2
+    assert S.X.shape[0] == ni
+    assert S.X.shape[1] == 3

test/test_repair_non_numeric.py

@@ -16,6 +16,7 @@ def test_run_method():
 
     # Initialize function control
     fun_control = fun_control_init(
+        PREFIX = "test_spot_run",
         lower=np.array([-1, -1]),
         upper=np.array([1, 1])
     )
@@ -39,7 +40,7 @@ def test_run_method():
     assert S.X.shape[0] == S.y.shape[0], "The design matrix X and response vector y should have the same number of rows."
 
     # Check if the minimum value in y is as expected
-    assert np.min(S.y) == 0.0, "The minimum value in y should be 0.0."
+    assert np.min(np.abs(S.y)) == 0.0, "The minimum value in y should be 0.0."
 
     # Check if the corresponding x values are as expected
     min_index = np.argmin(S.y)

test/test_run.py

@@ -48,7 +48,7 @@ def _compare_dicts(dict1, dict2, ignore_keys=None):
     return True
 
 def test_save_and_load_experiment():
-    PREFIX = "test_02"
+    PREFIX = "test_save_and_load_experiment_02"
     # Initialize function control
     fun_control = fun_control_init(
         PREFIX=PREFIX,

test/test_save_and_load_experiment.py

@@ -5,10 +5,14 @@
 from spotpython.spot import Spot
 from spotpython.fun.objectivefunctions import Analytical
 from spotpython.utils.init import fun_control_init, design_control_init
+from spotpython.utils.file import load_experiment, load_result
 
 def test_save_experiment(tmp_path, capsys):
+    PREFIX="test_save_experiment"
+    
     # Initialize function control
     fun_control = fun_control_init(
+        PREFIX=PREFIX,
         lower=np.array([-1, -1]),
         upper=np.array([1, 1])
     )
@@ -25,36 +29,20 @@ def test_save_experiment(tmp_path, capsys):
         fun_control=fun_control,
         design_control=design_control,
     )
+    
+    Sexp_load = load_experiment(PREFIX)
+    assert Sexp_load.design_control["init_size"] == 7
 
     # Run the optimization to generate some data
     X_start = np.array([[0, 0], [0, 1], [1, 0], [1, 1]])
     S.run(X_start=X_start)
+    
+    Srun_load = load_result(PREFIX)
+    assert Srun_load.design_control["init_size"] == 7
+    assert Srun_load.X.shape[0] > 0
+    assert Srun_load.y.shape[0] > 0
+
 
-    # Define the filename and path
-    filename = "test_experiment.pkl"
-    path = tmp_path
-
-    # Save the experiment
-    S.save_experiment(filename=filename, path=path)
-
-    # Check if the file was created
-    filepath = os.path.join(path, filename)
-    assert os.path.exists(filepath), f"File {filepath} should exist."
-
-    # Load the experiment and check its contents
-    with open(filepath, "rb") as handle:
-        experiment = pickle.load(handle)
-        assert "design_control" in experiment, "design_control should be in the experiment dictionary."
-        assert "fun_control" in experiment, "fun_control should be in the experiment dictionary."
-        assert "optimizer_control" in experiment, "optimizer_control should be in the experiment dictionary."
-        assert "spot_tuner" in experiment, "spot_tuner should be in the experiment dictionary."
-        assert "surrogate_control" in experiment, "surrogate_control should be in the experiment dictionary."
-
-    # Test overwrite functionality
-    S.save_experiment(filename=filename, path=path, overwrite=False)
-    captured = capsys.readouterr()
-    assert "Error: File" in captured.out
-    assert "already exists. Use overwrite=True to overwrite the file." in captured.out
 
 if __name__ == "__main__":
     pytest.main()

test/test_save_experiment.py

@@ -4,7 +4,7 @@ def test_show_progress():
     """
     import numpy as np
     from spotpython.fun.objectivefunctions import Analytical
-    from spotpython.spot import spot
+    from spotpython.spot import Spot
     from math import inf
     from spotpython.utils.init import (
         fun_control_init,
@@ -20,9 +20,10 @@ def test_show_progress():
     lower = np.array([-1])
     upper = np.array([1])
 
-    spot_1 = spot.Spot(
+    spot_1 = Spot(
         fun=fun,
-        fun_control=fun_control_init(lower=lower, upper=upper, fun_evals=n, show_progress=False),
+        fun_control=fun_control_init(PREFIX="test_show_progress_1",
+                                     lower=lower, upper=upper, fun_evals=n, show_progress=False),
         design_control=design_control_init(init_size=ni),
     )
     spot_1.run()
@@ -31,9 +32,13 @@ def test_show_progress():
     # number of points.
     assert spot_1.y.shape[0] == n
 
-    spot_2 = spot.Spot(
+    spot_2 = Spot(
         fun=fun,
-        fun_control=fun_control_init(lower=lower, upper=upper, fun_evals=n, show_progress=False),
+        fun_control=fun_control_init(PREFIX="test_show_progress_2",
+                                     lower=lower,
+                                     upper=upper,
+                                     fun_evals=n,
+                                     show_progress=False),
         design_control=design_control_init(init_size=ni),
     )
     spot_2.run()
@@ -42,9 +47,13 @@ def test_show_progress():
     # number of points.
     assert spot_2.y.shape[0] == n
 
-    spot_3 = spot.Spot(
+    spot_3 = Spot(
         fun=fun,
-        fun_control=fun_control_init(lower=lower, upper=upper, fun_evals=inf, max_time=0.1, show_progress=False),
+        fun_control=fun_control_init(PREFIX="test_show_progress_3",
+                                     lower=lower,
+                                     upper=upper,
+                                     fun_evals=inf,
+                                     max_time=0.1, show_progress=False),
         design_control=design_control_init(init_size=ni),
     )
     spot_3.run()
@@ -53,9 +62,10 @@ def test_show_progress():
     # because we do not know how many points can be evaluated.
     assert spot_3.y.shape[0] > 0
 
-    spot_4 = spot.Spot(
+    spot_4 = Spot(
         fun=fun,
-        fun_control=fun_control_init(lower=lower, upper=upper, fun_evals=inf, max_time=0.1, show_progress=True),
+        fun_control=fun_control_init(PREFIX="test_show_progress_4",
+                                     lower=lower, upper=upper, fun_evals=inf, max_time=0.1, show_progress=True),
         design_control=design_control_init(init_size=ni),
     )
     spot_4.run()