deriva-ml 1.17.10__py3-none-any.whl → 1.17.11__py3-none-any.whl

deriva_ml/experiment/experiment.py

@@ -0,0 +1,411 @@
+"""Experiment analysis for DerivaML.
+
+This module provides the Experiment class for analyzing completed executions.
+An Experiment wraps an execution RID and provides helper methods for extracting
+configuration details, model parameters, and experiment metadata.
+
+Typical usage example:
+    >>> from deriva_ml import DerivaML
+    >>> from deriva_ml.execution import Experiment
+    >>>
+    >>> ml = DerivaML("localhost", 45)
+    >>> exp = Experiment(ml, "47BE")
+    >>> print(exp.name)  # e.g., "cifar10_quick"
+    >>> print(exp.config_choices)  # Hydra config names used
+    >>> print(exp.model_config)  # Model hyperparameters
+"""
+
+from __future__ import annotations
+
+import tempfile
+from dataclasses import dataclass, field
+from pathlib import Path
+from typing import TYPE_CHECKING, Any
+
+import yaml
+from deriva.core.hatrac_store import HatracStore
+
+if TYPE_CHECKING:
+    from deriva_ml.core.base import DerivaML
+    from deriva_ml.execution.execution_record import ExecutionRecord
+    from deriva_ml.asset.asset import Asset
+    from deriva_ml.dataset.dataset import Dataset
+
+
+@dataclass
+class Experiment:
+    """Wraps an execution for experiment analysis.
+
+    Provides convenient access to execution metadata, configuration choices,
+    model parameters, inputs, and outputs. Useful for comparing experiments
+    and generating analysis reports.
+
+    Attributes:
+        ml: DerivaML instance for catalog access.
+        execution_rid: RID of the execution to analyze.
+        execution: The underlying Execution object (lazy-loaded).
+        name: Experiment name from config_choices.model_config or execution RID.
+        config_choices: Dictionary of Hydra config names used.
+        model_config: Dictionary of model hyperparameters.
+        description: Execution description.
+        status: Execution status (e.g., "Completed").
+
+    Example:
+        >>> exp = Experiment(ml, "47BE")
+        >>> print(f"Experiment: {exp.name}")
+        >>> print(f"Config: {exp.config_choices}")
+        >>> for ds in exp.input_datasets:
+        ...     print(f"  Input: {ds.dataset_rid}")
+    """
+
+    ml: "DerivaML"
+    execution_rid: str
+    _execution: "ExecutionRecord | None" = field(default=None, repr=False)
+    _hydra_config: dict | None = field(default=None, repr=False)
+    _config_choices: dict | None = field(default=None, repr=False)
+    _model_config: dict | None = field(default=None, repr=False)
+    _name: str | None = field(default=None, repr=False)
+
+    @property
+    def execution(self) -> "ExecutionRecord":
+        """Get the underlying ExecutionRecord (lazy-loaded)."""
+        if self._execution is None:
+            self._execution = self.ml.lookup_execution(self.execution_rid)
+        return self._execution
+
+    @property
+    def hydra_config(self) -> dict:
+        """Get the full Hydra configuration from execution metadata.
+
+        Downloads and parses the hydra config YAML file from the execution's
+        metadata assets.
+
+        Returns:
+            Dictionary containing the full Hydra configuration, or empty dict
+            if no config file is found.
+        """
+        if self._hydra_config is None:
+            self._hydra_config = self._load_hydra_config()
+        return self._hydra_config
+
+    def _load_hydra_config(self) -> dict:
+        """Load Hydra configuration from execution metadata assets.
+
+        Loads both the config.yaml (model parameters) and hydra.yaml (choices)
+        and merges them into a single dictionary with:
+        - config_choices: from hydra.yaml runtime.choices
+        - model_config: from config.yaml model_config section
+        - Full config.yaml contents
+        """
+        # Query Execution_Metadata_Execution to find metadata assets for this execution
+        pb = self.ml.pathBuilder()
+        meta_exec = pb.schemas[self.ml.ml_schema].Execution_Metadata_Execution
+        metadata_table = pb.schemas[self.ml.ml_schema].Execution_Metadata
+
+        # Find metadata assets linked to this execution with role "Output"
+        query = meta_exec.filter(meta_exec.Execution == self.execution_rid)
+        query = query.filter(meta_exec.Asset_Role == "Output")
+        records = list(query.entities().fetch())
+
+        # Collect metadata records
+        metadata_files: dict[str, dict] = {}
+        for record in records:
+            metadata_rid = record.get("Execution_Metadata")
+            if not metadata_rid:
+                continue
+
+            meta_records = list(
+                metadata_table.filter(metadata_table.RID == metadata_rid)
+                .entities()
+                .fetch()
+            )
+            if meta_records:
+                meta = meta_records[0]
+                filename = meta.get("Filename", "")
+                if filename:
+                    metadata_files[filename] = meta
+
+        # Create HatracStore for downloading
+        hs = HatracStore(
+            "https",
+            self.ml.host_name,
+            self.ml.credential,
+        )
+
+        result: dict = {}
+
+        # Load config.yaml for model_config and full configuration
+        for filename, meta in metadata_files.items():
+            if filename.endswith("-config.yaml"):
+                url = meta.get("URL")
+                if url:
+                    with tempfile.TemporaryDirectory() as tmpdir:
+                        dest = Path(tmpdir) / filename
+                        hs.get_obj(url, destfilename=str(dest))
+                        if dest.exists():
+                            with open(dest) as f:
+                                result = yaml.safe_load(f) or {}
+                break
+
+        # Load hydra.yaml for config_choices (runtime.choices)
+        for filename, meta in metadata_files.items():
+            if filename.endswith("-hydra.yaml"):
+                url = meta.get("URL")
+                if url:
+                    with tempfile.TemporaryDirectory() as tmpdir:
+                        dest = Path(tmpdir) / filename
+                        hs.get_obj(url, destfilename=str(dest))
+                        if dest.exists():
+                            with open(dest) as f:
+                                hydra_data = yaml.safe_load(f) or {}
+                            # Extract choices from hydra.runtime.choices
+                            choices = (
+                                hydra_data.get("hydra", {})
+                                .get("runtime", {})
+                                .get("choices", {})
+                            )
+                            # Filter out hydra internal choices
+                            result["config_choices"] = {
+                                k: v
+                                for k, v in choices.items()
+                                if not k.startswith("hydra/")
+                            }
+                break
+
+        return result
+
+    @property
+    def config_choices(self) -> dict[str, str]:
+        """Get the Hydra configuration choices (config names used).
+
+        Returns:
+            Dictionary mapping config group names to the selected config names,
+            e.g., {"model_config": "cifar10_quick", "datasets": "cifar10_labeled_split"}
+        """
+        if self._config_choices is None:
+            self._config_choices = self.hydra_config.get("config_choices", {})
+        return self._config_choices
+
+    @property
+    def model_config(self) -> dict[str, Any]:
+        """Get the model configuration parameters.
+
+        Returns:
+            Dictionary of model hyperparameters from the Hydra config,
+            e.g., {"epochs": 3, "learning_rate": 0.001, "batch_size": 128}
+        """
+        if self._model_config is None:
+            self._model_config = self.hydra_config.get("model_config", {})
+        return self._model_config
+
+    @property
+    def name(self) -> str:
+        """Get the experiment name.
+
+        Returns the model_config name from config_choices if available,
+        otherwise returns the execution RID.
+
+        Returns:
+            Experiment name string.
+        """
+        if self._name is None:
+            self._name = self.config_choices.get("model_config", self.execution_rid)
+        return self._name
+
+    @property
+    def description(self) -> str:
+        """Get the execution description."""
+        return self.execution.description or ""
+
+    @property
+    def status(self) -> str:
+        """Get the execution status."""
+        if self.execution.status:
+            return self.execution.status.value
+        return ""
+
+    @property
+    def input_datasets(self) -> list["Dataset"]:
+        """Get the input datasets for this experiment.
+
+        Returns:
+            List of Dataset objects used as inputs.
+        """
+        return self.execution.list_input_datasets()
+
+    @property
+    def input_assets(self) -> list["Asset"]:
+        """Get the input assets for this experiment.
+
+        Returns:
+            List of Asset objects used as inputs.
+        """
+        return self.execution.list_assets(asset_role="Input")
+
+    @property
+    def output_assets(self) -> list["Asset"]:
+        """Get the output assets from this experiment.
+
+        Returns:
+            List of Asset objects produced as outputs.
+        """
+        return self.execution.list_assets(asset_role="Output")
+
+    def get_chaise_url(self) -> str:
+        """Get the Chaise URL for viewing this execution in the browser.
+
+        Returns:
+            URL string for the execution record in Chaise.
+        """
+        return (
+            f"https://{self.ml.host_name}/chaise/record/#{self.ml.catalog_id}/"
+            f"deriva-ml:Execution/RID={self.execution_rid}"
+        )
+
+    def summary(self) -> dict[str, Any]:
+        """Get a summary dictionary of the experiment.
+
+        Returns:
+            Dictionary with experiment metadata suitable for display or analysis.
+            Includes:
+            - name, execution_rid, description, status
+            - config_choices: Hydra config names used
+            - model_config: Model hyperparameters
+            - input_datasets: List of input dataset info
+            - input_assets: List of input asset info (non-metadata)
+            - output_assets: List of output asset info (non-metadata)
+            - metadata_assets: List of execution metadata assets (config files, etc.)
+            - url: Chaise URL to view execution
+        """
+        def asset_summary(asset: "Asset") -> dict[str, Any]:
+            """Create a summary dict for an asset."""
+            return {
+                "asset_rid": asset.asset_rid,
+                "asset_table": asset.asset_table,
+                "filename": asset.filename,
+                "description": asset.description,
+                "asset_types": asset.asset_types,
+                "url": asset.url,
+            }
+
+        # Separate metadata assets from other assets
+        input_assets = []
+        output_assets = []
+        metadata_assets = []
+
+        for asset in self.input_assets:
+            if asset.asset_table == "Execution_Metadata":
+                metadata_assets.append(asset_summary(asset))
+            else:
+                input_assets.append(asset_summary(asset))
+
+        for asset in self.output_assets:
+            if asset.asset_table == "Execution_Metadata":
+                # Avoid duplicates - metadata is typically output
+                if not any(m["asset_rid"] == asset.asset_rid for m in metadata_assets):
+                    metadata_assets.append(asset_summary(asset))
+            else:
+                output_assets.append(asset_summary(asset))
+
+        return {
+            "name": self.name,
+            "execution_rid": self.execution_rid,
+            "description": self.description,
+            "status": self.status,
+            "config_choices": self.config_choices,
+            "model_config": {
+                k: v for k, v in self.model_config.items() if not k.startswith("_")
+            },
+            "input_datasets": [
+                {
+                    "dataset_rid": ds.dataset_rid,
+                    "description": ds.description,
+                    "version": str(ds.current_version) if ds.current_version else None,
+                    "dataset_types": ds.dataset_types,
+                }
+                for ds in self.input_datasets
+            ],
+            "input_assets": input_assets,
+            "output_assets": output_assets,
+            "metadata_assets": metadata_assets,
+            "url": self.get_chaise_url(),
+        }
+
+    def to_markdown(self, show_datasets: bool = True, show_assets: bool = True) -> str:
+        """Generate a markdown summary of this experiment.
+
+        Returns a formatted markdown string with clickable links, configuration
+        details, and optionally input datasets and assets.
+
+        Args:
+            show_datasets: If True, include input datasets with nested children.
+            show_assets: If True, include input assets.
+
+        Returns:
+            Markdown-formatted string.
+
+        Example:
+            >>> exp = ml.lookup_experiment("47BE")
+            >>> print(exp.to_markdown())
+        """
+        lines = []
+
+        # Header with execution link
+        lines.append(f"### {self.name} ([{self.execution_rid}]({self.get_chaise_url()}))")
+
+        # Description
+        if self.description:
+            lines.append(f"**Description:** {self.description}")
+
+        # Config choices
+        if self.config_choices:
+            choices_str = ", ".join(
+                f"`{k}={v}`" for k, v in sorted(self.config_choices.items())
+            )
+            lines.append(f"**Configuration Choices:** {choices_str}")
+
+        # Model configuration (filter internal fields)
+        model_cfg = {
+            k: v for k, v in self.model_config.items() if not k.startswith("_")
+        }
+        if model_cfg:
+            lines.append("**Model Configuration:**")
+            for k, v in sorted(model_cfg.items()):
+                lines.append(f"- **{k}**: {v}")
+
+        # Input datasets
+        if show_datasets and self.input_datasets:
+            lines.append("**Input Datasets:**")
+            for ds in self.input_datasets:
+                lines.append(ds.to_markdown(show_children=True, indent=0))
+
+        # Input assets
+        if show_assets and self.input_assets:
+            lines.append("**Input Assets:**")
+            for asset in self.input_assets:
+                lines.append(
+                    f"- [{asset.asset_rid}]({asset.get_chaise_url()}): {asset.filename}"
+                )
+
+        return "\n".join(lines)
+
+    def display_markdown(self, show_datasets: bool = True, show_assets: bool = True) -> None:
+        """Display a formatted markdown summary of this experiment in Jupyter.
+
+        Convenience method that calls to_markdown() and displays the result
+        using IPython.display.Markdown.
+
+        Args:
+            show_datasets: If True, display input datasets with nested children.
+            show_assets: If True, display input assets.
+
+        Example:
+            >>> exp = ml.lookup_experiment("47BE")
+            >>> exp.display_markdown()
+        """
+        from IPython.display import display, Markdown
+
+        display(Markdown(self.to_markdown(show_datasets, show_assets)))
+
+    def __repr__(self) -> str:
+        return f"Experiment(name={self.name!r}, rid={self.execution_rid!r})"

deriva_ml/feature.py

@@ -16,7 +16,12 @@ from pathlib import Path
 from types import UnionType
 from typing import TYPE_CHECKING, ClassVar, Optional, Type
 
-from deriva.core.ermrest_model import Column, FindAssociationResult
+# Deriva imports - use importlib to avoid shadowing by local 'deriva.py' files
+import importlib
+_ermrest_model = importlib.import_module("deriva.core.ermrest_model")
+Column = _ermrest_model.Column
+FindAssociationResult = _ermrest_model.FindAssociationResult
+
 from pydantic import BaseModel, create_model
 
 if TYPE_CHECKING:

deriva_ml/install_kernel.py

@@ -1,3 +1,78 @@
+"""Jupyter kernel installation utility for DerivaML virtual environments.
+
+This module provides a command-line tool for installing a Jupyter kernel that
+points to the current Python virtual environment. This allows Jupyter notebooks
+to use the DerivaML environment with all its dependencies.
+
+Why Install a Kernel?
+---------------------
+When working with Jupyter notebooks, the kernel determines which Python
+environment executes the code. By default, Jupyter may not see packages
+installed in your virtual environment. Installing a kernel creates a
+link so Jupyter can find and use your DerivaML environment.
+
+How It Works
+------------
+1. Detects the current virtual environment name from ``pyvenv.cfg``
+2. Normalizes the name to be Jupyter-compatible (lowercase, alphanumeric)
+3. Registers the kernel with Jupyter using ipykernel's install mechanism
+4. The kernel appears in Jupyter's kernel selector with a friendly display name
+
+The kernel is installed in the user's Jupyter data directory by default,
+making it available across all Jupyter instances for that user.
+
+Usage
+-----
+Command line (after activating your virtual environment)::
+
+    # Install kernel for current virtual environment
+    deriva-ml-install-kernel
+
+    # Or run as a module
+    python -m deriva_ml.install_kernel
+
+As a module::
+
+    from deriva_ml.install_kernel import main
+    main()
+
+After installation, the kernel will appear in Jupyter with a name like
+"Python (deriva-ml)" or "Python (my-project)" depending on your venv name.
+
+Example Workflow
+----------------
+Setting up a new DerivaML project with Jupyter support::
+
+    # Create and activate virtual environment
+    $ uv venv --prompt my-ml-project
+    $ source .venv/bin/activate
+
+    # Install DerivaML
+    $ uv pip install deriva-ml
+
+    # Install Jupyter kernel
+    $ deriva-ml-install-kernel
+    Installed Jupyter kernel 'my-ml-project' with display name 'Python (my-ml-project)'
+
+    # Start Jupyter and select the new kernel
+    $ jupyter lab
+
+Kernel Location
+---------------
+Kernels are installed to the user's Jupyter data directory:
+
+- **Linux/macOS**: ``~/.local/share/jupyter/kernels/``
+- **Windows**: ``%APPDATA%\\jupyter\\kernels\\``
+
+Each kernel is a directory containing a ``kernel.json`` file that specifies
+the Python executable path and display name.
+
+See Also
+--------
+- Jupyter kernels documentation: https://jupyter-client.readthedocs.io/en/latest/kernels.html
+- ipykernel: https://github.com/ipython/ipykernel
+"""
+
 import re
 import sys
 from argparse import ArgumentParser
@@ -8,9 +83,18 @@ from ipykernel.kernelspec import install as install_kernel
 
 
 def _dist_name_for_this_package() -> str:
-    """
-    Try to resolve the distribution name that provides this package.
-    Works in editable installs and wheels.
+    """Resolve the distribution name that provides this package.
+
+    Works in both editable installs and wheels by using importlib.metadata
+    to map the top-level package name to its distribution.
+
+    Returns:
+        The distribution name (e.g., "deriva-ml").
+
+    Example:
+        >>> name = _dist_name_for_this_package()
+        >>> print(name)
+        deriva-ml
     """
     # Top-level package name of this module (your_pkg)
     top_pkg = __name__.split(".")[0]
@@ -25,8 +109,23 @@ def _dist_name_for_this_package() -> str:
 
 
 def _normalize_kernel_name(name: str) -> str:
-    """
-    Jupyter kernel directory names should be simple: lowercase, [-a-z0-9_].
+    """Normalize a name to be valid as a Jupyter kernel directory name.
+
+    Jupyter kernel directory names should be simple: lowercase letters,
+    digits, hyphens, underscores, and dots only. This function converts
+    any input string to a valid kernel name.
+
+    Args:
+        name: The input name to normalize (e.g., "My Project 2.0").
+
+    Returns:
+        A normalized kernel name (e.g., "my-project-2.0").
+
+    Example:
+        >>> _normalize_kernel_name("My ML Project!")
+        'my-ml-project-'
+        >>> _normalize_kernel_name("deriva-ml")
+        'deriva-ml'
     """
     name = name.strip().lower()
     name = re.sub(r"[^a-z0-9._-]+", "-", name)
@@ -34,6 +133,23 @@ def _normalize_kernel_name(name: str) -> str:
 
 
 def _name_for_this_venv() -> str:
+    """Extract the virtual environment name from pyvenv.cfg.
+
+    Reads the ``prompt`` setting from the current environment's pyvenv.cfg
+    file. This is set when creating a venv with ``--prompt`` flag, or
+    defaults to the directory name.
+
+    Returns:
+        The virtual environment prompt/name, or empty string if not found.
+
+    Raises:
+        FileNotFoundError: If not running in a virtual environment (no pyvenv.cfg).
+
+    Example:
+        >>> # In a venv created with: uv venv --prompt my-project
+        >>> _name_for_this_venv()
+        'my-project'
+    """
     config_path = Path(sys.prefix) / "pyvenv.cfg"
     with config_path.open() as f:
         m = re.search("prompt *= *(?P<prompt>.*)", f.read())
@@ -41,7 +157,28 @@ def _name_for_this_venv() -> str:
 
 
 def main() -> None:
-    parser = ArgumentParser()
+    """Main entry point for the kernel installation tool.
+
+    Installs a Jupyter kernel for the current virtual environment. The kernel
+    name and display name are derived from the virtual environment's prompt
+    setting in pyvenv.cfg.
+
+    The kernel is installed to the user's Jupyter data directory, making it
+    available for all Jupyter instances run by that user.
+
+    Command-line Arguments:
+        --install-local: Install kernel to the venv's prefix directory instead
+            of the user's Jupyter data directory. (Currently not fully implemented)
+
+    Example:
+        >>> # Typically called via command line:
+        >>> # $ deriva-ml-install-kernel
+        >>> main()
+        Installed Jupyter kernel 'my-project' with display name 'Python (my-project)'
+    """
+    parser = ArgumentParser(
+        description="Install a Jupyter kernel for the current virtual environment."
+    )
     parser.add_argument(
         "--install-local",
         action="store_true",