workbench 0.8.160__py3-none-any.whl → 0.8.162__py3-none-any.whl

workbench/api/feature_set.py

@@ -108,6 +108,7 @@ class FeatureSet(FeatureSetCore):
             training_image (str, optional): The training image to use (default: "xgb_training")
             inference_image (str, optional): The inference image to use (default: "xgb_inference")
             inference_arch (str, optional): The architecture to use for inference (default: "x86_64")
+            kwargs (dict, optional): Additional keyword arguments to pass to the model
 
         Returns:
             Model: The Model created from the FeatureSet (or None if the Model could not be created)

workbench/api/parameter_store.py

@@ -133,3 +133,8 @@ if __name__ == "__main__":
     # Out of scope tests
     param_store.upsert("test", "value")
     param_store.delete("test")
+
+    # Recursive delete test
+    param_store.upsert("/workbench/test/test1", "value1")
+    param_store.upsert("/workbench/test/test2", "value2")
+    param_store.delete_recursive("workbench/test/")

workbench/core/artifacts/model_core.py

@@ -926,15 +926,15 @@ class ModelCore(Artifact):
         wr.s3.delete_objects(s3_delete_path, boto3_session=cls.boto3_session)
 
         # Delete any dataframes that were stored in the Dataframe Cache
-        cls.log.info("Deleting Dataframe Cache...")
+        cls.log.info("Deleting Dataframe Cache Entries...")
         cls.df_cache.delete_recursive(model_group_name)
 
         # Delete any dataframes that were stored in the Dataframe Store
-        cls.log.info("Deleting Dataframe Store...")
+        cls.log.info("Deleting Dataframe Store Entries...")
         cls.df_store.delete_recursive(f"workbench/models/{model_group_name}")
 
         # Delete anything we might have stored in the Parameter Store
-        cls.log.info("Deleting Parameter Store...")
+        cls.log.info("Deleting Parameter Store Entries...")
         cls.param_store.delete_recursive(f"workbench/models/{model_group_name}")
 
     def _set_model_type(self, model_type: ModelType):

workbench/core/transforms/features_to_model/features_to_model.py

@@ -164,6 +164,7 @@ class FeaturesToModel(Transform):
             "model_metrics_s3_path": self.model_training_root,
             "train_all_data": train_all_data,
             "id_column": feature_set.id_column,
+            "hyperparameters": kwargs.get("hyperparameters", {}),
         }
 
         # Custom Script
@@ -280,11 +281,12 @@ class FeaturesToModel(Transform):
         # Call the Model onboard method
         output_model.onboard_with_args(self.model_type, self.target_column, self.model_feature_list)
 
-    def create_and_register_model(self, aws_region=None):
+    def create_and_register_model(self, aws_region=None, **kwargs):
         """Create and Register the Model
 
         Args:
             aws_region (str, optional): AWS Region to use (default None)
+            **kwargs: Additional keyword arguments to pass to the model registration
         """
 
         # Get the metadata/tags to push into AWS

workbench/model_scripts/pytorch_model/generated_model_script.py

@@ -8,7 +8,7 @@ import numpy as np
 os.environ["TORCH_FORCE_NO_WEIGHTS_ONLY_LOAD"] = "1"
 from pytorch_tabular import TabularModel
 from pytorch_tabular.config import DataConfig, OptimizerConfig, TrainerConfig
-from pytorch_tabular.models import CategoryEmbeddingModelConfig, TabNetModelConfig
+from pytorch_tabular.models import CategoryEmbeddingModelConfig
 
 # Model Performance Scores
 from sklearn.metrics import (
@@ -40,7 +40,8 @@ TEMPLATE_PARAMS = {
     "features": ['molwt', 'mollogp', 'molmr', 'heavyatomcount', 'numhacceptors', 'numhdonors', 'numheteroatoms', 'numrotatablebonds', 'numvalenceelectrons', 'numaromaticrings', 'numsaturatedrings', 'numaliphaticrings', 'ringcount', 'tpsa', 'labuteasa', 'balabanj', 'bertzct'],
     "compressed_features": [],
     "model_metrics_s3_path": "s3://sandbox-sageworks-artifacts/models/aqsol-pytorch-class/training",
-    "train_all_data": False
+    "train_all_data": False,
+    "hyperparameters": {'training_config': {'max_epochs': 150}, 'model_config': {'layers': '256-128-64'}}
 }
 
 
@@ -203,15 +204,6 @@ def decompress_features(
     return df, decompressed_features
 
 
-def model_fn(model_dir):
-    """Deserialize and return fitted PyTorch Tabular model"""
-    #
-    os.environ['TEMP'] = '/tmp'
-    model_path = os.path.join(model_dir, "tabular_model")
-    model = TabularModel.load_model(model_path)
-    return model
-
-
 def model_fn(model_dir):
 
     # Save current working directory
@@ -343,6 +335,7 @@ if __name__ == "__main__":
     model_type = TEMPLATE_PARAMS["model_type"]
     model_metrics_s3_path = TEMPLATE_PARAMS["model_metrics_s3_path"]
     train_all_data = TEMPLATE_PARAMS["train_all_data"]
+    hyperparameters = TEMPLATE_PARAMS["hyperparameters"]
     validation_split = 0.2
 
     # Script arguments for input/output directories
@@ -412,21 +405,7 @@ if __name__ == "__main__":
         categorical_cols=categorical_cols,
     )
 
-    trainer_config = TrainerConfig(
-        auto_lr_find=True,
-        batch_size=min(1024, len(df_train) // 4),
-        max_epochs=100,
-        early_stopping="valid_loss",
-        early_stopping_patience=15,
-        checkpoints="valid_loss",
-        accelerator="auto",
-        progress_bar="none",
-        gradient_clip_val=1.0,
-    )
-
-    optimizer_config = OptimizerConfig()
-
-    # Choose model configuration based on model type
+    # Choose the 'task' based on model type also set up the label encoder if needed
     if model_type == "classifier":
         task = "classification"
         # Encode the target column
@@ -437,30 +416,70 @@ if __name__ == "__main__":
         task = "regression"
         label_encoder = None
 
-    # Use CategoryEmbedding for both regression and classification tasks
+    # Use any hyperparameters to set up both the trainer and model configurations
+    print(f"Hyperparameters: {hyperparameters}")
+
+    # Set up PyTorch Tabular configuration with defaults
+    trainer_defaults = {
+        "auto_lr_find": True,
+        "batch_size": min(1024, max(32, len(df_train) // 4)),
+        "max_epochs": 100,
+        "early_stopping": "valid_loss",
+        "early_stopping_patience": 15,
+        "checkpoints": "valid_loss",
+        "accelerator": "auto",
+        "progress_bar": "none",
+        "gradient_clip_val": 1.0,
+    }
+
+    # Override defaults with training_config if present
+    training_overrides = {k: v for k, v in hyperparameters.get('training_config', {}).items()
+                          if k in trainer_defaults}
+    # Print overwrites
+    for key, value in training_overrides.items():
+        print(f"TRAINING CONFIG Override: {key}: {trainer_defaults[key]} → {value}")
+    trainer_params = {**trainer_defaults, **training_overrides}
+    trainer_config = TrainerConfig(**trainer_params)
+
+    # Model config defaults
+    model_defaults = {
+        "layers": "1024-512-512",
+        "activation": "ReLU",
+        "learning_rate": 1e-3,
+        "dropout": 0.1,
+        "use_batch_norm": True,
+        "initialization": "kaiming",
+    }
+    # Override defaults with model_config if present
+    model_overrides = {k: v for k, v in hyperparameters.get('model_config', {}).items()
+                          if k in model_defaults}
+    # Print overwrites
+    for key, value in model_overrides.items():
+        print(f"MODEL CONFIG Override: {key}: {model_defaults[key]} → {value}")
+    model_params = {**model_defaults, **model_overrides}
+
+    # Use CategoryEmbedding model configuration for general-purpose tabular modeling.
+    # Works effectively for both regression and classification as the foundational
+    # architecture in PyTorch Tabular
     model_config = CategoryEmbeddingModelConfig(
         task=task,
-        layers="1024-512-512",
-        activation="ReLU",
-        learning_rate=1e-3,
-        dropout=0.1,
-        use_batch_norm=True,
-        initialization="kaiming",
+        **model_params
     )
+    optimizer_config = OptimizerConfig()
 
-    # Create and train the TabularModel
+    #####################################
+    # Create and train the TabularModel #
+    #####################################
     tabular_model = TabularModel(
         data_config=data_config,
         model_config=model_config,
         optimizer_config=optimizer_config,
         trainer_config=trainer_config,
     )
-
-    # Train the model
     tabular_model.fit(train=df_train, validation=df_val)
 
     # Make Predictions on the Validation Set
-    print(f"Making Predictions on Validation Set...")
+    print("Making Predictions on Validation Set...")
     result = tabular_model.predict(df_val, include_input_features=False)
 
     # pytorch-tabular returns predictions using f"{target}_prediction" column
@@ -554,4 +573,4 @@ if __name__ == "__main__":
 
     # Save the category mappings
     with open(os.path.join(args.model_dir, "category_mappings.json"), "w") as fp:
-        json.dump(category_mappings, fp)
+        json.dump(category_mappings, fp)

workbench/model_scripts/pytorch_model/pytorch.template

@@ -40,7 +40,8 @@ TEMPLATE_PARAMS = {
     "features": "{{feature_list}}",
     "compressed_features": "{{compressed_features}}",
     "model_metrics_s3_path": "{{model_metrics_s3_path}}",
-    "train_all_data": "{{train_all_data}}"
+    "train_all_data": "{{train_all_data}}",
+    "hyperparameters": "{{hyperparameters}}"
 }
 
 
@@ -334,6 +335,7 @@ if __name__ == "__main__":
     model_type = TEMPLATE_PARAMS["model_type"]
     model_metrics_s3_path = TEMPLATE_PARAMS["model_metrics_s3_path"]
     train_all_data = TEMPLATE_PARAMS["train_all_data"]
+    hyperparameters = TEMPLATE_PARAMS["hyperparameters"]
     validation_split = 0.2
 
     # Script arguments for input/output directories
@@ -403,21 +405,7 @@ if __name__ == "__main__":
         categorical_cols=categorical_cols,
     )
 
-    trainer_config = TrainerConfig(
-        auto_lr_find=True,
-        batch_size=min(1024, len(df_train) // 4),
-        max_epochs=100,
-        early_stopping="valid_loss",
-        early_stopping_patience=15,
-        checkpoints="valid_loss",
-        accelerator="auto",
-        progress_bar="none",
-        gradient_clip_val=1.0,
-    )
-
-    optimizer_config = OptimizerConfig()
-
-    # Choose model configuration based on model type
+    # Choose the 'task' based on model type also set up the label encoder if needed
     if model_type == "classifier":
         task = "classification"
         # Encode the target column
@@ -428,26 +416,66 @@ if __name__ == "__main__":
         task = "regression"
         label_encoder = None
 
-    # Use CategoryEmbedding for both regression and classification tasks
+    # Use any hyperparameters to set up both the trainer and model configurations
+    print(f"Hyperparameters: {hyperparameters}")
+
+    # Set up PyTorch Tabular configuration with defaults
+    trainer_defaults = {
+        "auto_lr_find": True,
+        "batch_size": min(1024, max(32, len(df_train) // 4)),
+        "max_epochs": 100,
+        "early_stopping": "valid_loss",
+        "early_stopping_patience": 15,
+        "checkpoints": "valid_loss",
+        "accelerator": "auto",
+        "progress_bar": "none",
+        "gradient_clip_val": 1.0,
+    }
+
+    # Override defaults with training_config if present
+    training_overrides = {k: v for k, v in hyperparameters.get('training_config', {}).items()
+                          if k in trainer_defaults}
+    # Print overwrites
+    for key, value in training_overrides.items():
+        print(f"TRAINING CONFIG Override: {key}: {trainer_defaults[key]} → {value}")
+    trainer_params = {**trainer_defaults, **training_overrides}
+    trainer_config = TrainerConfig(**trainer_params)
+
+    # Model config defaults
+    model_defaults = {
+        "layers": "1024-512-512",
+        "activation": "ReLU",
+        "learning_rate": 1e-3,
+        "dropout": 0.1,
+        "use_batch_norm": True,
+        "initialization": "kaiming",
+    }
+    # Override defaults with model_config if present
+    model_overrides = {k: v for k, v in hyperparameters.get('model_config', {}).items()
+                          if k in model_defaults}
+    # Print overwrites
+    for key, value in model_overrides.items():
+        print(f"MODEL CONFIG Override: {key}: {model_defaults[key]} → {value}")
+    model_params = {**model_defaults, **model_overrides}
+
+    # Use CategoryEmbedding model configuration for general-purpose tabular modeling.
+    # Works effectively for both regression and classification as the foundational
+    # architecture in PyTorch Tabular
     model_config = CategoryEmbeddingModelConfig(
         task=task,
-        layers="1024-512-512",
-        activation="ReLU",
-        learning_rate=1e-3,
-        dropout=0.1,
-        use_batch_norm=True,
-        initialization="kaiming",
+        **model_params
     )
+    optimizer_config = OptimizerConfig()
 
-    # Create and train the TabularModel
+    #####################################
+    # Create and train the TabularModel #
+    #####################################
     tabular_model = TabularModel(
         data_config=data_config,
         model_config=model_config,
         optimizer_config=optimizer_config,
         trainer_config=trainer_config,
     )
-
-    # Train the model
     tabular_model.fit(train=df_train, validation=df_val)
 
     # Make Predictions on the Validation Set

workbench/model_scripts/script_generation.py

@@ -68,7 +68,7 @@ def fill_template(template_path: str, params: dict, output_script: str) -> str:
         template = template.replace(placeholder, str(value))
 
     # Sanity check to ensure all placeholders were replaced
-    if "{{" in template or "}}" in template:
+    if "{{" in template and "}}" in template:
         msg = "Not all template placeholders were replaced. Please check your params."
         log.critical(msg)
         raise ValueError(msg)
@@ -93,6 +93,7 @@ def generate_model_script(template_params: dict) -> str:
             - feature_list (list[str]): A list of columns for the features
             - model_metrics_s3_path (str): The S3 path to store the model metrics
             - train_all_data (bool): Whether to train on all (100%) of the data
+            - hyperparameters (dict, optional): Hyperparameters for the model (default: None)
 
     Returns:
         str: The name of the generated model script

{workbench-0.8.160.dist-info → workbench-0.8.162.dist-info}/METADATA

@@ -1,6 +1,6 @@
 Metadata-Version: 2.4
 Name: workbench
-Version: 0.8.160
+Version: 0.8.162
 Summary: Workbench: A Dashboard and Python API for creating and deploying AWS SageMaker Model Pipelines
 Author-email: SuperCowPowers LLC <support@supercowpowers.com>
 License-Expression: MIT

{workbench-0.8.160.dist-info → workbench-0.8.162.dist-info}/RECORD

@@ -32,12 +32,12 @@ workbench/api/compound.py,sha256=BHd3Qu4Ra45FEuwiowhFfGMI_HKRRB10XMmoS6ljKrM,254
 workbench/api/data_source.py,sha256=Ngz36YZWxFfpJbmURhM1LQPYjh5kdpZNGo6_fCRePbA,8321
 workbench/api/df_store.py,sha256=Wybb3zO-jPpAi2Ns8Ks1-lagvXAaBlRpBZHhnnl3Lms,6131
 workbench/api/endpoint.py,sha256=ejDnfBBgNYMZB-bOA5nX7C6CtBlAjmtrF8M_zpri9Io,3451
-workbench/api/feature_set.py,sha256=eH1zafHklQBwHnrBUWHaeTqC6RCD-TvToZyNa4CQPxI,6562
+workbench/api/feature_set.py,sha256=wzNxNjN0K2FaIC7QUIogMnoHqw2vo0iAHYlGk6fWLCw,6649
 workbench/api/graph_store.py,sha256=LremJyPrQFgsHb7hxsctuCsoxx3p7TKtaY5qALHe6pc,4372
 workbench/api/meta.py,sha256=fCOtZMfAHWaerzcsTeFnimXfgV8STe9JDiB7QBogktc,8456
 workbench/api/model.py,sha256=2hPN8UK4whZ0kDgPtbR7lEknw7XhH5hGYaHA55jmZWQ,4529
 workbench/api/monitor.py,sha256=kQHSFiVLRWnHekSdatMKR3QbRj1BBNrVXpZgvV83LPM,5027
-workbench/api/parameter_store.py,sha256=tzP3S3mRldJRCwhUqT9uC-WQrDQBiZuQvu5gY2Iw9xM,4097
+workbench/api/parameter_store.py,sha256=7BObkuATuP6C5AG_46kCWsmuCwuh1vgMJDBSN0gTkwM,4294
 workbench/api/pipeline.py,sha256=MSYGrDSXrRB_oQELtAlOwBfxSBTw3REAkHy5XBHau0Y,6261
 workbench/cached/__init__.py,sha256=wvTyIFvusv2HjU3yop6OSr3js5_-SZuR8nPmlCuZQJ4,525
 workbench/cached/cached_data_source.py,sha256=A0o4H9g1aEms8HkOHWnb46vJ5fx6ebs1aCYaQcf8gPI,2649
@@ -55,7 +55,7 @@ workbench/core/artifacts/data_source_abstract.py,sha256=5IRCzFVK-17cd4NXPMRfx99v
 workbench/core/artifacts/data_source_factory.py,sha256=YL_tA5fsgubbB3dPF6T4tO0rGgz-6oo3ge4i_YXVC-M,2380
 workbench/core/artifacts/endpoint_core.py,sha256=L6uWOxHKItjbpRS2rFrAbxAqDyZIv2CO9dnZpohKrUI,48768
 workbench/core/artifacts/feature_set_core.py,sha256=055VdSYR09HP4ygAuYvIYtHQ7Ec4XxsZygpgEl5H5jQ,29136
-workbench/core/artifacts/model_core.py,sha256=mEoE6S0JA-DJE_q8usQcz_DMILN1mbVYBQrUAkC7xpU,50903
+workbench/core/artifacts/model_core.py,sha256=U0dSkpZMrsIgbUglVkPwAgN0gji7Oa7glOjqMQJDAzE,50927
 workbench/core/artifacts/monitor_core.py,sha256=BP6UuCyBI4zB2wwcIXvUw6RC0EktTcQd5Rv0x73qzio,37670
 workbench/core/cloud_platform/cloud_meta.py,sha256=-g4-LTC3D0PXb3VfaXdLR1ERijKuHdffeMK_zhD-koQ,8809
 workbench/core/cloud_platform/aws/README.md,sha256=QT5IQXoUHbIA0qQ2wO6_2P2lYjYQFVYuezc22mWY4i8,97
@@ -101,7 +101,7 @@ workbench/core/transforms/features_to_features/__init__.py,sha256=47DEQpj8HBSa-_
 workbench/core/transforms/features_to_features/heavy/emr/Readme.md,sha256=YtQgCEQeKe0CQXQkhzMTYq9xOtCsCYb5P5LW2BmRKWQ,68
 workbench/core/transforms/features_to_features/heavy/glue/Readme.md,sha256=TuyCatWfoDr99zUwvOcxf-TqMkQzaMqXlj5nmFcRzfo,48
 workbench/core/transforms/features_to_model/__init__.py,sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU,0
-workbench/core/transforms/features_to_model/features_to_model.py,sha256=GLKi5utVf3U2Iq4nrQBeewQEo_e5H5OI5BzC7xFXnYQ,19628
+workbench/core/transforms/features_to_model/features_to_model.py,sha256=gwqdQZJUIfZv1M7uGhzzBxUwRS0thJE_o_H2IUsBT40,19789
 workbench/core/transforms/model_to_endpoint/__init__.py,sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU,0
 workbench/core/transforms/model_to_endpoint/model_to_endpoint.py,sha256=hbLsdOVlfAH4XCVNUfr3SFH8rKjxIs0QyYrNwjCh7SM,4970
 workbench/core/transforms/pandas_transforms/__init__.py,sha256=xL4MT8-fZ1SFqDbTLc8XyxjupHtB1YR6Ej0AC2nwd7I,894
@@ -121,7 +121,7 @@ workbench/core/views/training_view.py,sha256=mUkv1oVhDG-896RdLNKxCg0j0yvudEcPnvL
 workbench/core/views/view.py,sha256=Ujzw6zLROP9oKfKm3zJwaOyfpyjh5uM9fAu1i3kUOig,11764
 workbench/core/views/view_utils.py,sha256=y0YuPW-90nAfgAD1UW_49-j7Mvncfm7-5rV8I_97CK8,12274
 workbench/core/views/storage/mdq_view.py,sha256=qf_ep1KwaXOIfO930laEwNIiCYP7VNOqjE3VdHfopRE,5195
-workbench/model_scripts/script_generation.py,sha256=4Uy5Zp0tr8dF7gPeqPgEbD0WbrwVE2qK4C7m5eavIMs,7627
+workbench/model_scripts/script_generation.py,sha256=VVgRxvJsbpn6Uw6KpDAZe8oMtmg0l_fTImxDiUFJEes,7722
 workbench/model_scripts/custom_models/chem_info/Readme.md,sha256=mH1lxJ4Pb7F5nBnVXaiuxpi8zS_yjUw_LBJepVKXhlA,574
 workbench/model_scripts/custom_models/chem_info/local_utils.py,sha256=Rsz_VRoA3O3-VoitmN8o5OymstsF433QgdSRHc-iZ24,29071
 workbench/model_scripts/custom_models/chem_info/molecular_descriptors.py,sha256=E8SK4oOHaYnYx4ycQJ6R7yg799kjtbipM3KEc8SPArQ,3011
@@ -150,8 +150,8 @@ workbench/model_scripts/custom_script_example/requirements.txt,sha256=jWlGc7HH7v
 workbench/model_scripts/ensemble_xgb/ensemble_xgb.template,sha256=s8tPPk_q6UqA2nAzknD8viA-kN7f62Rim2XwMKcqHKc,10399
 workbench/model_scripts/ensemble_xgb/generated_model_script.py,sha256=dsjUGm22xI1ThGn97HPKtooyEPK-HOQnf5chnZ7-MXk,10675
 workbench/model_scripts/ensemble_xgb/requirements.txt,sha256=jWlGc7HH7vqyukTm38LN4EyDi8jDUPEay4n45z-30uc,104
-workbench/model_scripts/pytorch_model/generated_model_script.py,sha256=53QVg2R2iDNYcsEQGbmWsPxKm8D4-5F4m27lFFjq5uc,21041
-workbench/model_scripts/pytorch_model/pytorch.template,sha256=vfODdZcFMtkUMSYDj261ZCGVJIQXciiVWY64P2HFvpA,20531
+workbench/model_scripts/pytorch_model/generated_model_script.py,sha256=Mr1IMQJE_ML899qjzhjkrP521IjvcAvqU0pk--FB7KY,22356
+workbench/model_scripts/pytorch_model/pytorch.template,sha256=3jM3RUH68r75eH9Wayz6YTXZ7qpuDnaJCKKcHD_oKqA,22054
 workbench/model_scripts/pytorch_model/requirements.txt,sha256=ICS5nW0wix44EJO2tJszJSaUrSvhSfdedn6FcRInGx4,181
 workbench/model_scripts/quant_regression/quant_regression.template,sha256=AQihffV68qI6CG9qztA0jGunDWoijb3eeDWNG5tiIGc,9818
 workbench/model_scripts/quant_regression/requirements.txt,sha256=jWlGc7HH7vqyukTm38LN4EyDi8jDUPEay4n45z-30uc,104
@@ -275,9 +275,9 @@ workbench/web_interface/page_views/main_page.py,sha256=X4-KyGTKLAdxR-Zk2niuLJB2Y
 workbench/web_interface/page_views/models_page_view.py,sha256=M0bdC7bAzLyIaE2jviY12FF4abdMFZmg6sFuOY_LaGI,2650
 workbench/web_interface/page_views/page_view.py,sha256=Gh6YnpOGlUejx-bHZAf5pzqoQ1H1R0OSwOpGhOBO06w,455
 workbench/web_interface/page_views/pipelines_page_view.py,sha256=v2pxrIbsHBcYiblfius3JK766NZ7ciD2yPx0t3E5IJo,2656
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