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config.py ADDED
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+ """Global configuration for the Physics-Informed Bayesian Optimization platform."""
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+
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+ from dataclasses import dataclass, field
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+ from enum import Enum
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+ from typing import Optional
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+
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+
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+ class OptimizerBackend(Enum):
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+ BOTORCH = "botorch"
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+ AX = "ax"
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+ BOFIRE = "bofire"
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+
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+
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+ class AcquisitionType(Enum):
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+ EXPECTED_IMPROVEMENT = "EI"
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+ UPPER_CONFIDENCE_BOUND = "UCB"
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+ PROBABILITY_OF_IMPROVEMENT = "PI"
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+ KNOWLEDGE_GRADIENT = "KG"
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+ NOISY_EXPECTED_IMPROVEMENT = "NEI"
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+ PHYSICS_INFORMED_EI = "PI_EI" # Custom: penalizes physically implausible regions
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+
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+
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+ @dataclass
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+ class OptimizationConfig:
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+ """Configuration for a Bayesian optimization run."""
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+
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+ # Backend selection
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+ backend: OptimizerBackend = OptimizerBackend.BOTORCH
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+
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+ # Acquisition function
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+ acquisition_type: AcquisitionType = AcquisitionType.EXPECTED_IMPROVEMENT
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+
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+ # Optimization settings
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+ n_initial_samples: int = 10
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+ batch_size: int = 1
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+ max_iterations: int = 50
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+ seed: int = 42
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+
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+ # GP settings
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+ use_physics_mean: bool = True
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+ learn_noise: bool = True
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+ noise_variance: float = 0.01
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+
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+ # Physics model settings
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+ physics_model_weight: float = 1.0 # Weight of physics prior (0=pure GP, 1=full physics)
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+ physics_constraint_penalty: float = 10.0
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+
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+ # Multi-fidelity settings
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+ use_multi_fidelity: bool = False
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+ fidelity_weights: Optional[dict] = None
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+
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+ # Hardware
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+ device: str = "cpu"
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+ dtype: str = "float64"
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+
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+
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+ @dataclass
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+ class SearchSpaceConfig:
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+ """Configuration for the search/parameter space."""
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+
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+ normalize_inputs: bool = True
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+ standardize_outputs: bool = True
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+ input_transform: Optional[str] = None
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+ output_transform: Optional[str] = None