fix test + add run_args: constraint structure for yaml file

neps/utils/run_args_from_yaml.py

@@ -101,23 +101,32 @@ def get_run_args_from_yaml(path):
 
 def config_loader(path):
     """
-    Loads and parses a YAML configuration file.
+    Loads and parses a YAML configuration file. Checks if the loaded YAML starts with
+    'run_args' key.
 
     Args:
         path (str): The filesystem path to the YAML file to be loaded.
 
     Returns:
-        dict: The parsed YAML file as a dictionary.
+        dict: The parsed YAML file as a dictionary, specifically the content under
+        'run_args' key.
 
     Raises:
         ValueError: If the file cannot be parsed as YAML.
+        KeyError: If the 'run_args' key is not found at the top level of the YAML file.
     """
     try:
         with open(path) as file:
             config = yaml.safe_load(file)
     except yaml.YAMLError as e:
-        raise yaml.YAMLError(f"The file at {str(path)} is not a valid YAML file.") from e
-    return config
+        raise ValueError(f"The file at {path} is not a valid YAML file.") from e
+
+    # Check if 'run_args' is the top-level key in the loaded YAML
+    if 'run_args' not in config:
+        raise KeyError(f"The 'run_args' key is missing at the top level of the YAML "
+                       f"file: {path}")
+
+    return config['run_args']
 
 
 def extract_leaf_keys(d, special_keys=None):

tests/test_yaml_run_args/run_args_full_same_level.yaml

@@ -1,25 +1,26 @@
-run_pipeline:
-  path: "tests/test_yaml_run_args/test_yaml_run_args.py"
-  name: "run_pipeline"
-pipeline_space: "pipeline_space.yaml"
-root_directory: "test_yaml"
-max_evaluations_total: 20
-max_cost_total: 4.2
-overwrite_working_directory: True
-post_run_summary: False
-development_stage_id: 9
-task_id: 2.0
-max_evaluations_per_run: 5
-continue_until_max_evaluation_completed: True
-loss_value_on_error: 2.4
-cost_value_on_error: 2.1
-ignore_errors: False
-searcher: "bayesian_optimization"
-searcher_path: "/path/to/searcher"
-searcher_kwargs:
-  initial_design_size: 5
-  surrogate_model: gp
-pre_load_hooks:
-  hook1:
+run_args:
+  run_pipeline:
     path: "tests/test_yaml_run_args/test_yaml_run_args.py"
-    name: hook1
+    name: "run_pipeline"
+  pipeline_space: "pipeline_space.yaml"
+  root_directory: "test_yaml"
+  max_evaluations_total: 20
+  max_cost_total: 4.2
+  overwrite_working_directory: True
+  post_run_summary: False
+  development_stage_id: 9
+  task_id: 2.0
+  max_evaluations_per_run: 5
+  continue_until_max_evaluation_completed: True
+  loss_value_on_error: 2.4
+  cost_value_on_error: 2.1
+  ignore_errors: False
+  searcher: "bayesian_optimization"
+  searcher_path: "/path/to/searcher"
+  searcher_kwargs:
+    initial_design_size: 5
+    surrogate_model: gp
+  pre_load_hooks:
+    hook1:
+      path: "tests/test_yaml_run_args/test_yaml_run_args.py"
+      name: hook1

tests/test_yaml_run_args/run_args_key_missing.yaml

@@ -1,25 +1,26 @@
-run_pipeline:
-  path: "tests/test_yaml_run_args/test_yaml_run_args.py"
-  # key name is missing
-pipeline_space: "pipeline_space.yaml"
-root_directory: "test_yaml"
-max_evaluations_total: 20
-max_cost_total: 4.2
-overwrite_working_directory: True
-post_run_summary: False
-development_stage_id: 9
-task_id: 2.0
-max_evaluations_per_run: 5
-continue_until_max_evaluation_completed: True
-loss_value_on_error: 2.4
-cost_value_on_error: 2.1
-ignore_errors: False
-searcher: "bayesian_optimization"
-searcher_path: "/path/to/searcher"
-searcher_kwargs:
-  initial_design_size: 5
-  surrogate_model: gp
-pre_load_hooks:
-  hook1:
+run_args:
+  run_pipeline:
     path: "tests/test_yaml_run_args/test_yaml_run_args.py"
-    name: hook1
+    # key name is missing
+  pipeline_space: "pipeline_space.yaml"
+  root_directory: "test_yaml"
+  max_evaluations_total: 20
+  max_cost_total: 4.2
+  overwrite_working_directory: True
+  post_run_summary: False
+  development_stage_id: 9
+  task_id: 2.0
+  max_evaluations_per_run: 5
+  continue_until_max_evaluation_completed: True
+  loss_value_on_error: 2.4
+  cost_value_on_error: 2.1
+  ignore_errors: False
+  searcher: "bayesian_optimization"
+  searcher_path: "/path/to/searcher"
+  searcher_kwargs:
+    initial_design_size: 5
+    surrogate_model: gp
+  pre_load_hooks:
+    hook1:
+      path: "tests/test_yaml_run_args/test_yaml_run_args.py"
+      name: hook1

tests/test_yaml_run_args/run_args_optional_loading_format.yaml

@@ -1,29 +1,30 @@
-run_pipeline:
-  path: "tests/test_yaml_run_args/test_yaml_run_args.py"
-  name: "run_pipeline"
-pipeline_space: # Optional loading
-  path: "tests/test_yaml_run_args/test_yaml_run_args.py"
-  name: "pipeline_space"
-root_directory: "test_yaml"
-max_evaluations_total: 20
-max_cost_total: 4.2
-overwrite_working_directory: True
-post_run_summary: False
-development_stage_id: 9
-task_id:
-max_evaluations_per_run: 5
-continue_until_max_evaluation_completed: True
-loss_value_on_error: 2.4
-cost_value_on_error: 2.1
-ignore_errors: False
-searcher: # Optional Loading
-  path: "tests/test_yaml_run_args/test_yaml_run_args.py"
-  name: base_optimizer
-searcher_path: "/path/to/searcher"
-searcher_kwargs:
-  initial_design_size: 5
-  surrogate_model: gp
-pre_load_hooks:
-  hook1:
+run_args:
+  run_pipeline:
     path: "tests/test_yaml_run_args/test_yaml_run_args.py"
-    name: hook1
+    name: "run_pipeline"
+  pipeline_space: # Optional loading
+    path: "tests/test_yaml_run_args/test_yaml_run_args.py"
+    name: "pipeline_space"
+  root_directory: "test_yaml"
+  max_evaluations_total: 20
+  max_cost_total: 4.2
+  overwrite_working_directory: True
+  post_run_summary: False
+  development_stage_id: 9
+  task_id:
+  max_evaluations_per_run: 5
+  continue_until_max_evaluation_completed: True
+  loss_value_on_error: 2.4
+  cost_value_on_error: 2.1
+  ignore_errors: False
+  searcher: # Optional Loading
+    path: "neps/optimizers/bayesian_optimization/optimizer.py"
+    name: BayesianOptimization
+  searcher_path: "/path/to/searcher"
+  searcher_kwargs:
+    initial_design_size: 5
+    surrogate_model: gp
+  pre_load_hooks:
+    hook1:
+      path: "tests/test_yaml_run_args/test_yaml_run_args.py"
+      name: hook1

tests/test_yaml_run_args/test_yaml_run_args.py

@@ -8,10 +8,6 @@
 pipeline_space = dict(lr=neps.FloatParameter(lower=1.2, upper=4.2),
                       epochs=neps.IntegerParameter(lower=1, upper=10))
 
-# This is needed for a test case where the argument 'searcher' is 'base_optimizer'.
-search_space = SearchSpace(**pipeline_space)
-base_optimizer = BayesianOptimization(pipeline_space=search_space)
-
 
 def run_pipeline():
     """func to test loading of run_pipeline"""
@@ -181,7 +177,7 @@ def are_functions_equivalent(f1, f2):
             "loss_value_on_error": 2.4,
             "cost_value_on_error": 2.1,
             "ignore_errors": False,
-            "searcher": base_optimizer,
+            "searcher": BayesianOptimization,
             "searcher_path": "/path/to/searcher",
             "searcher_kwargs": {
                 "initial_design_size": 5,