alchemist-nrel 0.2.1__py3-none-any.whl

alchemist_core/__init__.py

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+"""
+ALchemist Core - Headless Bayesian Optimization Library
+
+This package provides the core functionality for active learning and Bayesian
+optimization workflows without UI dependencies.
+
+Main Components:
+    - OptimizationSession: High-level API for optimization workflows
+    - SearchSpace: Define variable search spaces
+    - ExperimentManager: Manage experimental data
+    - Models: Surrogate modeling backends (sklearn, BoTorch)
+    - Acquisition: Acquisition function strategies
+
+Example:
+    >>> from alchemist_core import OptimizationSession, SearchSpace, ExperimentManager
+    >>> 
+    >>> # Create session
+    >>> session = OptimizationSession(
+    ...     search_space=SearchSpace.from_json("variables.json"),
+    ...     experiment_manager=ExperimentManager.from_csv("experiments.csv")
+    ... )
+    >>> 
+    >>> # Train model
+    >>> session.fit_model(backend="sklearn")
+    >>> 
+    >>> # Get next experiment suggestion
+    >>> next_point = session.suggest_next(acq_func="ei")
+
+Version: 0.2.0-dev (Core-UI Split)
+"""
+
+__version__ = "0.2.0-dev"
+__author__ = "Caleb Coatney"
+__email__ = "caleb.coatney@nrel.gov"
+
+# Core data structures
+from alchemist_core.data.search_space import SearchSpace
+from alchemist_core.data.experiment_manager import ExperimentManager
+
+# Event system
+from alchemist_core.events import EventEmitter
+
+# Configuration and logging
+from alchemist_core.config import configure_logging, get_logger, set_verbosity
+
+# High-level session API
+from alchemist_core.session import OptimizationSession
+
+# Public API
+__all__ = [
+    # High-level API (recommended entry point)
+    "OptimizationSession",
+    
+    # Data structures
+    "SearchSpace",
+    "ExperimentManager",
+    
+    # Events and logging
+    "EventEmitter",
+    "configure_logging",
+    "get_logger",
+    "set_verbosity",
+]

alchemist_core/acquisition/__init__.py

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+# Acquisition functions package

alchemist_core/acquisition/base_acquisition.py

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+from abc import ABC, abstractmethod
+
+class BaseAcquisition(ABC):
+    def __init__(self, search_space, model=None, random_state=42):
+        self.search_space = search_space
+        self.model = model
+        self.random_state = random_state
+    
+    @abstractmethod
+    def update(self, X, y):
+        """Update with training data"""
+        pass
+    
+    @abstractmethod
+    def select_next(self, candidate_points=None):
+        """Select the next point to evaluate"""
+        pass