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Atomizer/optimization_engine/core/method_selector.py

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"""
Adaptive Method Selector for Atomizer Optimization
This module provides intelligent method selection based on:
1. Problem characteristics (static analysis from config)
2. Early exploration metrics (dynamic analysis from first N trials)
3. Runtime performance metrics (continuous monitoring)
Classes:
- ProblemProfiler: Analyzes optimization config to extract problem characteristics
- EarlyMetricsCollector: Computes metrics from initial FEA trials
- AdaptiveMethodSelector: Recommends optimization method and parameters
- RuntimeAdvisor: Monitors optimization and suggests pivots
Usage:
from optimization_engine.core.method_selector import AdaptiveMethodSelector
selector = AdaptiveMethodSelector()
recommendation = selector.recommend(config_path)
print(recommendation['method']) # 'turbo', 'hybrid_loop', 'pure_fea', etc.
"""
import json
import numpy as np
from pathlib import Path
from typing import Dict, List, Optional, Any, Tuple
from dataclasses import dataclass, field, asdict
from enum import Enum
import sqlite3
from datetime import datetime
class OptimizationMethod(Enum):
"""Available optimization methods."""
PURE_FEA = "pure_fea"
HYBRID_LOOP = "hybrid_loop"
TURBO = "turbo"
GNN_FIELD = "gnn_field"
@dataclass
class ProblemProfile:
"""Static problem characteristics extracted from config."""
# Design space
n_variables: int = 0
variable_names: List[str] = field(default_factory=list)
variable_bounds: Dict[str, Tuple[float, float]] = field(default_factory=dict)
variable_types: Dict[str, str] = field(default_factory=dict) # 'continuous', 'discrete', 'categorical'
design_space_volume: float = 0.0 # Product of all ranges
# Objectives
n_objectives: int = 0
objective_names: List[str] = field(default_factory=list)
objective_goals: Dict[str, str] = field(default_factory=dict) # 'minimize', 'maximize'
# Constraints
n_constraints: int = 0
constraint_types: List[str] = field(default_factory=list) # 'less_than', 'greater_than', 'equal'
# Budget estimates
fea_time_estimate: float = 300.0 # seconds per FEA run
total_budget_hours: float = 8.0
max_fea_trials: int = 0 # Computed from budget
# Complexity indicators
is_multi_objective: bool = False
has_constraints: bool = False
expected_nonlinearity: str = "unknown" # 'low', 'medium', 'high', 'unknown'
# Neural acceleration hints
nn_enabled_in_config: bool = False
min_training_points: int = 50
def to_dict(self) -> dict:
return asdict(self)
@dataclass
class EarlyMetrics:
"""Metrics computed from initial FEA exploration."""
n_trials_analyzed: int = 0
# Objective statistics
objective_means: Dict[str, float] = field(default_factory=dict)
objective_stds: Dict[str, float] = field(default_factory=dict)
objective_ranges: Dict[str, Tuple[float, float]] = field(default_factory=dict)
coefficient_of_variation: Dict[str, float] = field(default_factory=dict) # std/mean
# Correlation analysis
objective_correlations: Dict[str, float] = field(default_factory=dict) # pairwise
variable_objective_correlations: Dict[str, Dict[str, float]] = field(default_factory=dict)
# Feasibility
feasibility_rate: float = 1.0
n_feasible: int = 0
n_infeasible: int = 0
# Pareto analysis (multi-objective)
pareto_front_size: int = 0
pareto_growth_rate: float = 0.0 # New Pareto points per trial
# Response smoothness (NN suitability)
response_smoothness: float = 0.5 # 0-1, higher = smoother
lipschitz_estimate: Dict[str, float] = field(default_factory=dict)
# Variable sensitivity
variable_sensitivity: Dict[str, float] = field(default_factory=dict) # Variance-based
most_sensitive_variable: str = ""
# Clustering
design_clustering: str = "unknown" # 'clustered', 'scattered', 'unknown'
# NN fit quality (if trained)
nn_accuracy: Optional[float] = None # R² or similar
nn_mean_error: Optional[Dict[str, float]] = None
def to_dict(self) -> dict:
return asdict(self)
@dataclass
class RuntimeMetrics:
"""Metrics collected during optimization runtime."""
timestamp: str = ""
trials_completed: int = 0
# Performance
fea_time_mean: float = 0.0
fea_time_std: float = 0.0
fea_failure_rate: float = 0.0
# Progress
pareto_size: int = 0
pareto_growth_rate: float = 0.0
best_objectives: Dict[str, float] = field(default_factory=dict)
improvement_rate: float = 0.0 # Best objective improvement per trial
# NN performance (if using hybrid/turbo)
nn_accuracy: Optional[float] = None
nn_accuracy_trend: str = "stable" # 'improving', 'stable', 'declining'
nn_predictions_count: int = 0
# Exploration vs exploitation
exploration_ratio: float = 0.5 # How much of design space explored
def to_dict(self) -> dict:
return asdict(self)
@dataclass
class MethodRecommendation:
"""Output from the method selector."""
method: str
confidence: float # 0-1
parameters: Dict[str, Any] = field(default_factory=dict)
reasoning: str = ""
alternatives: List[Dict[str, Any]] = field(default_factory=list)
warnings: List[str] = field(default_factory=list)
def to_dict(self) -> dict:
return asdict(self)
@dataclass
class NNQualityMetrics:
"""NN surrogate quality metrics with relative thresholds.
Key insight: NN error should be compared to the coefficient of variation (CV)
of each objective to determine if the NN is learning the physics properly.
- If nn_error >> CV NN is unreliable (not learning, just noise)
- If nn_error CV NN captures the trend (hybrid recommended)
- If nn_error << CV NN is excellent (turbo viable)
"""
has_nn_data: bool = False
n_validations: int = 0
# Per-objective metrics
nn_errors: Dict[str, float] = field(default_factory=dict) # Absolute % error
cv_ratios: Dict[str, float] = field(default_factory=dict) # nn_error / (CV * 100)
expected_errors: Dict[str, float] = field(default_factory=dict) # Based on physics type
# Overall quality scores (0-1, higher = better)
overall_quality: float = 0.5
turbo_suitability: float = 0.0
hybrid_suitability: float = 0.5
# Physics type classification used
objective_types: Dict[str, str] = field(default_factory=dict) # 'linear', 'smooth', 'nonlinear', 'chaotic'
def to_dict(self) -> dict:
return asdict(self)
class NNQualityAssessor:
"""Assesses NN surrogate quality relative to problem complexity.
Uses physics-based expected error thresholds rather than absolute values.
The key metric is the CV ratio: nn_error / coefficient_of_variation.
CV Ratio Interpretation:
- < 0.5 NN is excellent (captures physics well beyond noise)
- 0.5-1 NN is good (adds value for exploration)
- 1-2 NN is marginal (use with validation)
- > 2 NN is poor (not learning physics, use FEA)
"""
# Physics-based expected error thresholds
PHYSICS_THRESHOLDS = {
'linear': {'max_error': 2.0, 'cv_ratio_max': 0.5}, # mass, volume - deterministic
'smooth': {'max_error': 5.0, 'cv_ratio_max': 1.0}, # frequency, avg stress
'nonlinear': {'max_error': 10.0, 'cv_ratio_max': 2.0}, # max stress, stiffness
'chaotic': {'max_error': 20.0, 'cv_ratio_max': 3.0}, # contact, buckling, fracture
}
# Objective name to physics type classification
OBJECTIVE_CLASSIFICATION = {
# Linear (deterministic, easy to learn)
'mass': 'linear',
'volume': 'linear',
'weight': 'linear',
'area': 'linear',
# Smooth (well-behaved, moderate difficulty)
'frequency': 'smooth',
'fundamental_frequency': 'smooth',
'first_frequency': 'smooth',
'avg_stress': 'smooth',
'mean_stress': 'smooth',
'displacement': 'smooth',
'avg_displacement': 'smooth',
'compliance': 'smooth',
# Nonlinear (sensitive to details, harder to learn)
'stress': 'nonlinear',
'max_stress': 'nonlinear',
'von_mises': 'nonlinear',
'stiffness': 'nonlinear',
'max_displacement': 'nonlinear',
'strain_energy': 'nonlinear',
# Chaotic (highly nonlinear, very hard to learn)
'buckling': 'chaotic',
'contact_force': 'chaotic',
'fracture': 'chaotic',
'fatigue': 'chaotic',
}
def __init__(self):
pass
def collect(self, results_dir: Path, objective_names: List[str],
early_metrics: EarlyMetrics) -> NNQualityMetrics:
"""Collect NN quality metrics from validation reports and database.
Args:
results_dir: Path to 2_results directory
objective_names: List of objective names from config
early_metrics: EarlyMetrics with coefficient_of_variation data
Returns:
NNQualityMetrics with quality scores and recommendations
"""
metrics = NNQualityMetrics()
# 1. Try validation_report.json first (most reliable - has explicit FEA comparison)
validation_report = results_dir / "validation_report.json"
if validation_report.exists():
self._load_from_validation_report(validation_report, metrics, objective_names)
# 2. Try turbo_report.json (has per-iteration errors)
turbo_report = results_dir / "turbo_report.json"
if turbo_report.exists() and not metrics.has_nn_data:
self._load_from_turbo_report(turbo_report, metrics, objective_names)
# 3. Query Optuna database for nn_error_percent user attributes
db_path = results_dir / "study.db"
if db_path.exists() and not metrics.has_nn_data:
self._load_from_database(db_path, metrics, objective_names)
# 4. Compute relative metrics using CV from early_metrics
if metrics.has_nn_data and early_metrics.coefficient_of_variation:
self._compute_relative_metrics(metrics, early_metrics, objective_names)
return metrics
def _load_from_validation_report(self, report_path: Path, metrics: NNQualityMetrics,
objective_names: List[str]):
"""Load NN error data from validation_report.json."""
try:
with open(report_path) as f:
report = json.load(f)
metrics.n_validations = report.get('n_validated', 0)
# Get average errors per objective
avg_errors = report.get('average_errors_percent', {})
if avg_errors:
metrics.has_nn_data = True
for obj_name in objective_names:
# Try exact match or partial match
error = avg_errors.get(obj_name)
if error is None:
# Try partial match (e.g., 'mass' in 'total_mass')
for key, val in avg_errors.items():
if obj_name.lower() in key.lower() or key.lower() in obj_name.lower():
error = val
break
if error is not None:
metrics.nn_errors[obj_name] = float(error)
except Exception as e:
pass # Silently fail, try other sources
def _load_from_turbo_report(self, report_path: Path, metrics: NNQualityMetrics,
objective_names: List[str]):
"""Load NN error data from turbo_report.json."""
try:
with open(report_path) as f:
report = json.load(f)
metrics.n_validations = report.get('fea_validations', 0)
best_solutions = report.get('best_solutions', [])
if best_solutions:
metrics.has_nn_data = True
# Collect errors from all iterations
all_errors = []
for sol in best_solutions:
nn_error = sol.get('nn_error', [])
if nn_error:
all_errors.append(nn_error)
if all_errors:
# Average across all validations
avg_errors = np.mean(all_errors, axis=0)
# Map to objective names (turbo only tracks mass, stress typically)
for i, obj_name in enumerate(objective_names[:len(avg_errors)]):
metrics.nn_errors[obj_name] = float(avg_errors[i])
except Exception as e:
pass
def _load_from_database(self, db_path: Path, metrics: NNQualityMetrics,
objective_names: List[str]):
"""Load NN error data from Optuna database user attributes."""
try:
conn = sqlite3.connect(str(db_path))
cursor = conn.cursor()
# Query nn_error_percent from trial_user_attributes
cursor.execute("""
SELECT value_json FROM trial_user_attributes
WHERE key = 'nn_error_percent'
""")
all_errors = []
for (value_json,) in cursor.fetchall():
try:
errors = json.loads(value_json)
if isinstance(errors, list):
all_errors.append(errors)
except:
pass
conn.close()
if all_errors:
metrics.has_nn_data = True
metrics.n_validations = len(all_errors)
# Average across all validated trials
avg_errors = np.mean(all_errors, axis=0)
for i, obj_name in enumerate(objective_names[:len(avg_errors)]):
metrics.nn_errors[obj_name] = float(avg_errors[i])
except Exception as e:
pass
def _classify_objective(self, obj_name: str) -> str:
"""Classify objective by physics type."""
# Check exact match first
if obj_name in self.OBJECTIVE_CLASSIFICATION:
return self.OBJECTIVE_CLASSIFICATION[obj_name]
# Check partial match
obj_lower = obj_name.lower()
for key, obj_type in self.OBJECTIVE_CLASSIFICATION.items():
if key in obj_lower or obj_lower in key:
return obj_type
# Default to 'smooth' if unknown
return 'smooth'
def _compute_relative_metrics(self, metrics: NNQualityMetrics,
early_metrics: EarlyMetrics,
objective_names: List[str]):
"""Compute NN error relative to objective variability (CV)."""
for obj_name in objective_names:
nn_error = metrics.nn_errors.get(obj_name)
if nn_error is None:
continue
cv = early_metrics.coefficient_of_variation.get(obj_name, 0.1)
# Compute CV ratio (nn_error is %, cv is fraction)
# CV ratio = how many times larger is NN error than natural variability
if cv > 0.001:
cv_ratio = nn_error / (cv * 100)
else:
# Very low CV means linear/deterministic - use absolute error
cv_ratio = nn_error / 2.0 # Normalize to 2% baseline
metrics.cv_ratios[obj_name] = cv_ratio
# Classify and store
obj_type = self._classify_objective(obj_name)
metrics.objective_types[obj_name] = obj_type
metrics.expected_errors[obj_name] = self.PHYSICS_THRESHOLDS[obj_type]['max_error']
# Compute overall quality scores
self._compute_quality_scores(metrics)
def _compute_quality_scores(self, metrics: NNQualityMetrics):
"""Compute overall quality scores based on relative metrics."""
if not metrics.cv_ratios:
return
quality_scores = []
turbo_scores = []
hybrid_scores = []
for obj_name, cv_ratio in metrics.cv_ratios.items():
obj_type = metrics.objective_types.get(obj_name, 'smooth')
threshold = self.PHYSICS_THRESHOLDS[obj_type]
# Quality: how well does NN error compare to expected max?
nn_error = metrics.nn_errors.get(obj_name, 0)
expected = threshold['max_error']
# Use sqrt to be less harsh on errors close to threshold
quality = max(0, min(1, 1 - (nn_error / expected) ** 0.5)) if expected > 0 else 0.5
quality_scores.append(quality)
# Turbo suitability: cv_ratio should be < cv_ratio_max
# Lower ratio = better (NN captures more than noise)
cv_max = threshold['cv_ratio_max']
turbo = max(0, min(1, 1 - cv_ratio / cv_max)) if cv_max > 0 else 0.5
turbo_scores.append(turbo)
# Hybrid suitability: more lenient threshold (2x)
# NN just needs to add some value
hybrid = max(0, min(1, 1 - cv_ratio / (cv_max * 2))) if cv_max > 0 else 0.5
hybrid_scores.append(hybrid)
metrics.overall_quality = float(np.mean(quality_scores)) if quality_scores else 0.5
metrics.turbo_suitability = float(np.mean(turbo_scores)) if turbo_scores else 0.0
metrics.hybrid_suitability = float(np.mean(hybrid_scores)) if hybrid_scores else 0.5
class ProblemProfiler:
"""Analyzes optimization config to extract problem characteristics."""
def __init__(self):
self.profile = ProblemProfile()
def analyze(self, config: dict) -> ProblemProfile:
"""
Analyze optimization config and return problem profile.
Args:
config: Loaded optimization_config.json dict
Returns:
ProblemProfile with extracted characteristics
"""
profile = ProblemProfile()
# Extract design variables
design_vars = config.get('design_variables', [])
profile.n_variables = len(design_vars)
# Support both 'parameter' and 'name' keys for variable naming
profile.variable_names = [v.get('parameter') or v.get('name') for v in design_vars]
volume = 1.0
for var in design_vars:
name = var.get('parameter') or var.get('name')
# Support both 'bounds' array and 'min'/'max' fields
if 'bounds' in var:
bounds = var['bounds']
else:
bounds = [var.get('min', 0), var.get('max', 1)]
profile.variable_bounds[name] = (bounds[0], bounds[1])
profile.variable_types[name] = var.get('type', 'continuous')
volume *= (bounds[1] - bounds[0])
profile.design_space_volume = volume
# Extract objectives
objectives = config.get('objectives', [])
profile.n_objectives = len(objectives)
profile.objective_names = [o['name'] for o in objectives]
# Support both 'goal' and 'direction' keys for objective direction
profile.objective_goals = {
o['name']: o.get('goal') or o.get('direction', 'minimize')
for o in objectives
}
profile.is_multi_objective = profile.n_objectives > 1
# Extract constraints
constraints = config.get('constraints', [])
profile.n_constraints = len(constraints)
profile.constraint_types = [c.get('type', 'less_than') for c in constraints]
profile.has_constraints = profile.n_constraints > 0
# Budget estimates
opt_settings = config.get('optimization_settings', {})
profile.fea_time_estimate = opt_settings.get('timeout_per_trial', 300)
profile.total_budget_hours = opt_settings.get('budget_hours', 8)
if profile.fea_time_estimate > 0:
profile.max_fea_trials = int(
(profile.total_budget_hours * 3600) / profile.fea_time_estimate
)
# Neural acceleration config
nn_config = config.get('neural_acceleration', {})
profile.nn_enabled_in_config = nn_config.get('enabled', False)
profile.min_training_points = nn_config.get('min_training_points', 50)
# Infer nonlinearity from physics type
sim_config = config.get('simulation', {})
analysis_types = sim_config.get('analysis_types', [])
if 'modal' in analysis_types or 'frequency' in str(analysis_types).lower():
profile.expected_nonlinearity = 'medium'
elif 'nonlinear' in str(analysis_types).lower():
profile.expected_nonlinearity = 'high'
else:
profile.expected_nonlinearity = 'low' # Static linear
self.profile = profile
return profile
def analyze_from_file(self, config_path: Path) -> ProblemProfile:
"""Load config from file and analyze."""
with open(config_path) as f:
config = json.load(f)
return self.analyze(config)
class EarlyMetricsCollector:
"""Computes metrics from initial FEA exploration trials."""
def __init__(self, min_trials: int = 20):
self.min_trials = min_trials
self.metrics = EarlyMetrics()
def collect(self, db_path: Path, objective_names: List[str],
variable_names: List[str], constraints: List[dict] = None) -> EarlyMetrics:
"""
Collect metrics from study database.
Args:
db_path: Path to study.db
objective_names: List of objective column names
variable_names: List of design variable names
constraints: List of constraint definitions from config
Returns:
EarlyMetrics with computed statistics
"""
metrics = EarlyMetrics()
if not db_path.exists():
return metrics
# Load data from Optuna database
conn = sqlite3.connect(str(db_path))
cursor = conn.cursor()
try:
# Get completed trials from Optuna database
# Note: Optuna stores params in trial_params and objectives in trial_values
cursor.execute("""
SELECT trial_id FROM trials
WHERE state = 'COMPLETE'
""")
completed_trials = cursor.fetchall()
metrics.n_trials_analyzed = len(completed_trials)
if metrics.n_trials_analyzed < self.min_trials:
conn.close()
return metrics
# Extract trial data from trial_params and trial_values tables
trial_data = []
for (trial_id,) in completed_trials:
values = {}
# Get parameters
cursor.execute("""
SELECT param_name, param_value FROM trial_params
WHERE trial_id = ?
""", (trial_id,))
for name, value in cursor.fetchall():
try:
values[name] = float(value) if value is not None else None
except:
pass
# Get objectives from trial_values
cursor.execute("""
SELECT objective, value FROM trial_values
WHERE trial_id = ?
""", (trial_id,))
for idx, value in cursor.fetchall():
if idx < len(objective_names):
values[objective_names[idx]] = float(value) if value is not None else None
if values:
trial_data.append(values)
if not trial_data:
conn.close()
return metrics
# Compute objective statistics
for obj_name in objective_names:
obj_values = [t.get(obj_name) for t in trial_data if t.get(obj_name) is not None]
if obj_values:
metrics.objective_means[obj_name] = np.mean(obj_values)
metrics.objective_stds[obj_name] = np.std(obj_values)
metrics.objective_ranges[obj_name] = (min(obj_values), max(obj_values))
if metrics.objective_means[obj_name] != 0:
metrics.coefficient_of_variation[obj_name] = (
metrics.objective_stds[obj_name] /
abs(metrics.objective_means[obj_name])
)
# Compute correlations between objectives
if len(objective_names) >= 2:
for i, obj1 in enumerate(objective_names):
for obj2 in objective_names[i+1:]:
vals1 = [t.get(obj1) for t in trial_data]
vals2 = [t.get(obj2) for t in trial_data]
# Filter out None values
paired = [(v1, v2) for v1, v2 in zip(vals1, vals2)
if v1 is not None and v2 is not None]
if len(paired) > 5:
v1, v2 = zip(*paired)
corr = np.corrcoef(v1, v2)[0, 1]
metrics.objective_correlations[f"{obj1}_vs_{obj2}"] = corr
# Compute variable-objective correlations (sensitivity)
for var_name in variable_names:
metrics.variable_objective_correlations[var_name] = {}
var_values = [t.get(var_name) for t in trial_data]
for obj_name in objective_names:
obj_values = [t.get(obj_name) for t in trial_data]
paired = [(v, o) for v, o in zip(var_values, obj_values)
if v is not None and o is not None]
if len(paired) > 5:
v, o = zip(*paired)
corr = abs(np.corrcoef(v, o)[0, 1])
metrics.variable_objective_correlations[var_name][obj_name] = corr
# Compute overall variable sensitivity (average absolute correlation)
for var_name in variable_names:
correlations = list(metrics.variable_objective_correlations.get(var_name, {}).values())
if correlations:
metrics.variable_sensitivity[var_name] = np.mean(correlations)
if metrics.variable_sensitivity:
metrics.most_sensitive_variable = max(
metrics.variable_sensitivity,
key=metrics.variable_sensitivity.get
)
# Estimate response smoothness
# Higher CV suggests rougher landscape
avg_cv = np.mean(list(metrics.coefficient_of_variation.values())) if metrics.coefficient_of_variation else 0.5
metrics.response_smoothness = max(0, min(1, 1 - avg_cv))
# Feasibility analysis
if constraints:
n_feasible = 0
for trial in trial_data:
feasible = True
for constraint in constraints:
c_name = constraint.get('name')
c_type = constraint.get('type', 'less_than')
threshold = constraint.get('threshold')
value = trial.get(c_name)
if value is not None and threshold is not None:
if c_type == 'less_than' and value > threshold:
feasible = False
elif c_type == 'greater_than' and value < threshold:
feasible = False
if feasible:
n_feasible += 1
metrics.n_feasible = n_feasible
metrics.n_infeasible = len(trial_data) - n_feasible
metrics.feasibility_rate = n_feasible / len(trial_data) if trial_data else 1.0
conn.close()
except Exception as e:
print(f"Warning: Error collecting metrics: {e}")
conn.close()
self.metrics = metrics
return metrics
def estimate_nn_suitability(self) -> float:
"""
Estimate how suitable the problem is for neural network acceleration.
Returns:
Score from 0-1, higher = more suitable
"""
score = 0.5 # Base score
# Smooth response is good for NN
score += 0.2 * self.metrics.response_smoothness
# High feasibility is good
score += 0.1 * self.metrics.feasibility_rate
# Enough training data
if self.metrics.n_trials_analyzed >= 50:
score += 0.1
if self.metrics.n_trials_analyzed >= 100:
score += 0.1
return min(1.0, max(0.0, score))
class AdaptiveMethodSelector:
"""
Recommends optimization method based on problem characteristics and metrics.
The selector uses a scoring system to rank methods:
- Each method starts with a base score
- Scores are adjusted based on problem characteristics
- Early metrics further refine the recommendation
- NN quality metrics adjust confidence based on actual surrogate performance
"""
def __init__(self):
self.profiler = ProblemProfiler()
self.metrics_collector = EarlyMetricsCollector()
self.nn_quality_assessor = NNQualityAssessor()
# Method base scores (can be tuned based on historical performance)
self.base_scores = {
OptimizationMethod.PURE_FEA: 0.5,
OptimizationMethod.HYBRID_LOOP: 0.6,
OptimizationMethod.TURBO: 0.7,
OptimizationMethod.GNN_FIELD: 0.4,
}
# Store last metrics for reporting
self.last_nn_quality: Optional[NNQualityMetrics] = None
self.last_early_metrics: Optional[EarlyMetrics] = None
def recommend(self, config: dict, db_path: Path = None,
early_metrics: EarlyMetrics = None,
results_dir: Path = None) -> MethodRecommendation:
"""
Generate method recommendation.
Args:
config: Optimization config dict
db_path: Optional path to existing study.db for early metrics
early_metrics: Pre-computed early metrics (optional)
results_dir: Optional path to 2_results directory for NN quality data
Returns:
MethodRecommendation with method, confidence, and parameters
"""
# Profile the problem
profile = self.profiler.analyze(config)
# Collect early metrics if database exists
if db_path and db_path.exists() and early_metrics is None:
early_metrics = self.metrics_collector.collect(
db_path,
profile.objective_names,
profile.variable_names,
config.get('constraints', [])
)
# Collect NN quality metrics if results directory exists
nn_quality = None
if results_dir is None and db_path:
results_dir = db_path.parent # study.db is typically in 2_results
if results_dir and results_dir.exists() and early_metrics:
nn_quality = self.nn_quality_assessor.collect(
results_dir,
profile.objective_names,
early_metrics
)
self.last_nn_quality = nn_quality
# Store early_metrics for reporting
self.last_early_metrics = early_metrics
# Score each method (now includes NN quality)
scores = self._score_methods(profile, early_metrics, nn_quality)
# Sort by score
ranked = sorted(scores.items(), key=lambda x: x[1]['score'], reverse=True)
# Build recommendation
best_method, best_info = ranked[0]
recommendation = MethodRecommendation(
method=best_method.value,
confidence=min(1.0, best_info['score']),
parameters=self._get_parameters(best_method, profile, early_metrics),
reasoning=best_info['reason'],
alternatives=[
{
'method': m.value,
'confidence': min(1.0, info['score']),
'reason': info['reason']
}
for m, info in ranked[1:3]
],
warnings=self._get_warnings(profile, early_metrics, nn_quality)
)
return recommendation
def _score_methods(self, profile: ProblemProfile,
metrics: EarlyMetrics = None,
nn_quality: NNQualityMetrics = None) -> Dict[OptimizationMethod, Dict]:
"""Score each method based on problem characteristics and NN quality."""
scores = {}
for method in OptimizationMethod:
score = self.base_scores[method]
reasons = []
# === TURBO MODE ===
if method == OptimizationMethod.TURBO:
# Good for: low-dimensional, smooth, sufficient budget, good NN quality
if profile.n_variables <= 5:
score += 0.15
reasons.append("low-dimensional design space")
elif profile.n_variables > 10:
score -= 0.2
reasons.append("high-dimensional (may struggle)")
if profile.max_fea_trials >= 50:
score += 0.1
reasons.append("sufficient FEA budget")
else:
score -= 0.15
reasons.append("limited FEA budget")
if metrics and metrics.response_smoothness > 0.7:
score += 0.15
reasons.append(f"smooth landscape ({metrics.response_smoothness:.0%})")
elif metrics and metrics.response_smoothness < 0.4:
score -= 0.2
reasons.append(f"rough landscape ({metrics.response_smoothness:.0%})")
# NEW: NN Quality-based adjustments using relative thresholds
if nn_quality and nn_quality.has_nn_data:
if nn_quality.turbo_suitability > 0.8:
score += 0.25
reasons.append(f"excellent NN quality ({nn_quality.turbo_suitability:.0%})")
elif nn_quality.turbo_suitability > 0.5:
score += 0.1
reasons.append(f"good NN quality ({nn_quality.turbo_suitability:.0%})")
elif nn_quality.turbo_suitability < 0.3:
score -= 0.25
reasons.append(f"poor NN quality ({nn_quality.turbo_suitability:.0%}) - use hybrid")
# Per-objective warnings for high CV ratios
for obj, cv_ratio in nn_quality.cv_ratios.items():
if cv_ratio > 2.0:
score -= 0.1
reasons.append(f"{obj}: NN error >> variability")
elif metrics and metrics.nn_accuracy and metrics.nn_accuracy > 0.9:
score += 0.1
reasons.append(f"excellent NN fit ({metrics.nn_accuracy:.0%})")
# === HYBRID LOOP ===
elif method == OptimizationMethod.HYBRID_LOOP:
# Good for: moderate complexity, unknown landscape, need safety
if 3 <= profile.n_variables <= 10:
score += 0.1
reasons.append("moderate dimensionality")
if metrics and 0.4 < metrics.response_smoothness < 0.8:
score += 0.1
reasons.append("uncertain landscape - hybrid adapts")
if profile.has_constraints and metrics and metrics.feasibility_rate < 0.9:
score += 0.1
reasons.append("constrained problem - safer approach")
if profile.max_fea_trials >= 30:
score += 0.05
reasons.append("adequate budget for iterations")
# NEW: NN Quality adjustments for hybrid
if nn_quality and nn_quality.has_nn_data:
if nn_quality.hybrid_suitability > 0.5:
score += 0.15
reasons.append("NN adds value with periodic retraining")
if nn_quality.turbo_suitability < 0.5:
score += 0.1
reasons.append("NN quality suggests hybrid over turbo")
# === PURE FEA ===
elif method == OptimizationMethod.PURE_FEA:
# Good for: small budget, highly nonlinear, rough landscape
if profile.max_fea_trials < 30:
score += 0.2
reasons.append("limited budget - no NN overhead")
if metrics and metrics.response_smoothness < 0.3:
score += 0.2
reasons.append("rough landscape - NN unreliable")
if profile.expected_nonlinearity == 'high':
score += 0.15
reasons.append("highly nonlinear physics")
if metrics and metrics.feasibility_rate < 0.5:
score += 0.1
reasons.append("many infeasible designs - need accurate FEA")
# NEW: NN Quality - if NN is truly poor, favor pure FEA
if nn_quality and nn_quality.has_nn_data:
if nn_quality.hybrid_suitability < 0.3:
score += 0.2
reasons.append("NN quality too low - prefer FEA")
# === GNN FIELD ===
elif method == OptimizationMethod.GNN_FIELD:
# Good for: high-dimensional, need field visualization
if profile.n_variables > 10:
score += 0.2
reasons.append("high-dimensional - GNN handles well")
# GNN is more advanced, only recommend if specifically needed
if profile.n_variables <= 5:
score -= 0.1
reasons.append("simple problem - MLP sufficient")
# Compile reason string
reason = "; ".join(reasons) if reasons else "default recommendation"
scores[method] = {'score': score, 'reason': reason}
return scores
def _get_parameters(self, method: OptimizationMethod,
profile: ProblemProfile,
metrics: EarlyMetrics = None) -> Dict[str, Any]:
"""Generate recommended parameters for the selected method."""
params = {}
if method == OptimizationMethod.TURBO:
# Scale NN trials based on dimensionality
base_nn_trials = 5000
if profile.n_variables <= 2:
nn_trials = base_nn_trials
elif profile.n_variables <= 5:
nn_trials = base_nn_trials * 2
else:
nn_trials = base_nn_trials * 3
params = {
'nn_trials': nn_trials,
'batch_size': 100,
'retrain_every': 10,
'epochs': 150 if metrics and metrics.n_trials_analyzed > 100 else 200
}
elif method == OptimizationMethod.HYBRID_LOOP:
params = {
'iterations': 5,
'nn_trials_per_iter': 500,
'validate_per_iter': 5,
'epochs': 300
}
elif method == OptimizationMethod.PURE_FEA:
# Choose sampler based on objectives
if profile.is_multi_objective:
sampler = 'NSGAIISampler'
else:
sampler = 'TPESampler'
params = {
'sampler': sampler,
'n_trials': min(100, profile.max_fea_trials),
'timeout_per_trial': profile.fea_time_estimate
}
elif method == OptimizationMethod.GNN_FIELD:
params = {
'model_type': 'parametric_gnn',
'initial_fea_trials': 100,
'nn_trials': 10000,
'epochs': 200
}
return params
def _get_warnings(self, profile: ProblemProfile,
metrics: EarlyMetrics = None,
nn_quality: NNQualityMetrics = None) -> List[str]:
"""Generate warnings about potential issues."""
warnings = []
if profile.n_variables > 10:
warnings.append(
f"High-dimensional problem ({profile.n_variables} variables) - "
"consider dimensionality reduction or Latin Hypercube sampling"
)
if profile.max_fea_trials < 20:
warnings.append(
f"Very limited FEA budget ({profile.max_fea_trials} trials) - "
"neural acceleration may not have enough training data"
)
if metrics and metrics.feasibility_rate < 0.5:
warnings.append(
f"Low feasibility rate ({metrics.feasibility_rate:.0%}) - "
"consider relaxing constraints or narrowing design space"
)
if metrics and metrics.response_smoothness < 0.3:
warnings.append(
f"Rough objective landscape detected - "
"neural surrogate may have high prediction errors"
)
# NEW: NN Quality warnings
if nn_quality and nn_quality.has_nn_data:
# Per-objective quality warnings
for obj_name, cv_ratio in nn_quality.cv_ratios.items():
obj_type = nn_quality.objective_types.get(obj_name, 'smooth')
nn_error = nn_quality.nn_errors.get(obj_name, 0)
expected = nn_quality.expected_errors.get(obj_name, 5.0)
if cv_ratio > 2.0:
warnings.append(
f"{obj_name}: NN error ({nn_error:.1f}%) >> variability - "
f"NN not learning physics well for this {obj_type} objective"
)
elif nn_error > expected * 1.5:
warnings.append(
f"{obj_name}: NN error ({nn_error:.1f}%) above expected ({expected:.0f}%) - "
f"consider retraining or using hybrid mode"
)
return warnings
class RuntimeAdvisor:
"""
Monitors optimization runtime and suggests method pivots.
Call check_pivot() periodically during optimization to get
suggestions for method changes.
"""
def __init__(self, check_interval: int = 10):
"""
Args:
check_interval: Check for pivots every N trials
"""
self.check_interval = check_interval
self.history: List[RuntimeMetrics] = []
self.pivot_suggestions: List[Dict] = []
def update(self, metrics: RuntimeMetrics):
"""Add new runtime metrics to history."""
metrics.timestamp = datetime.now().isoformat()
self.history.append(metrics)
def check_pivot(self, current_method: str) -> Optional[Dict]:
"""
Check if a method pivot should be suggested.
Args:
current_method: Currently running method
Returns:
Pivot suggestion dict or None
"""
if len(self.history) < 2:
return None
latest = self.history[-1]
previous = self.history[-2]
suggestion = None
# Check 1: NN accuracy declining
if latest.nn_accuracy_trend == 'declining':
if current_method == 'turbo':
suggestion = {
'suggest_pivot': True,
'from': current_method,
'to': 'hybrid_loop',
'reason': 'NN accuracy declining - switch to hybrid for more frequent retraining',
'urgency': 'medium'
}
# Check 2: Pareto front stagnating
if latest.pareto_growth_rate < 0.01 and previous.pareto_growth_rate < 0.01:
suggestion = {
'suggest_pivot': True,
'from': current_method,
'to': 'increase_exploration',
'reason': 'Pareto front stagnating - consider increasing exploration',
'urgency': 'low'
}
# Check 3: High FEA failure rate
if latest.fea_failure_rate > 0.2:
if current_method in ['turbo', 'hybrid_loop']:
suggestion = {
'suggest_pivot': True,
'from': current_method,
'to': 'pure_fea',
'reason': f'High FEA failure rate ({latest.fea_failure_rate:.0%}) - NN exploring invalid regions',
'urgency': 'high'
}
# Check 4: Diminishing returns
if latest.improvement_rate < 0.001 and latest.trials_completed > 100:
suggestion = {
'suggest_pivot': True,
'from': current_method,
'to': 'stop_early',
'reason': 'Diminishing returns - consider stopping optimization',
'urgency': 'low'
}
if suggestion:
self.pivot_suggestions.append(suggestion)
return suggestion
def get_summary(self) -> Dict:
"""Get summary of runtime performance."""
if not self.history:
return {}
latest = self.history[-1]
return {
'trials_completed': latest.trials_completed,
'pareto_size': latest.pareto_size,
'fea_time_mean': latest.fea_time_mean,
'fea_failure_rate': latest.fea_failure_rate,
'nn_accuracy': latest.nn_accuracy,
'pivot_suggestions_count': len(self.pivot_suggestions)
}
def print_recommendation(rec: MethodRecommendation, profile: ProblemProfile = None,
nn_quality: NNQualityMetrics = None, early_metrics: EarlyMetrics = None):
"""Pretty-print a method recommendation with NN quality assessment."""
print("\n" + "=" * 70)
print(" OPTIMIZATION METHOD ADVISOR")
print("=" * 70)
if profile:
print("\nProblem Profile:")
print(f" Variables: {profile.n_variables} ({', '.join(profile.variable_names)})")
print(f" Objectives: {profile.n_objectives} ({', '.join(profile.objective_names)})")
print(f" Constraints: {profile.n_constraints}")
print(f" Max FEA budget: ~{profile.max_fea_trials} trials")
# NN Quality Assessment Section
if nn_quality and nn_quality.has_nn_data:
print("\nNN Quality Assessment:")
print(f" Validations analyzed: {nn_quality.n_validations}")
print()
# Build table header
print(" | Objective | NN Error | CV | Ratio | Type | Quality |")
print(" |---------------|----------|--------|-------|------------|---------|")
for obj_name in nn_quality.nn_errors.keys():
nn_error = nn_quality.nn_errors.get(obj_name, 0)
cv_ratio = nn_quality.cv_ratios.get(obj_name, 0)
obj_type = nn_quality.objective_types.get(obj_name, 'smooth')
# Get CV from early_metrics if available
cv_pct = 0.0
if early_metrics and early_metrics.coefficient_of_variation:
cv = early_metrics.coefficient_of_variation.get(obj_name, 0)
cv_pct = cv * 100 # Convert to percentage
# Quality indicator
if cv_ratio < 0.5:
quality = "✓ Great"
elif cv_ratio < 1.0:
quality = "✓ Good"
elif cv_ratio < 2.0:
quality = "~ OK"
else:
quality = "✗ Poor"
# Format row
print(f" | {obj_name[:13]:<13} | {nn_error:>6.1f}% | {cv_pct:>5.1f}% | {cv_ratio:>5.2f} | {obj_type:<10} | {quality:<7} |")
print()
print(f" Overall Quality: {nn_quality.overall_quality:.0%}")
print(f" Turbo Suitability: {nn_quality.turbo_suitability:.0%}")
print(f" Hybrid Suitability: {nn_quality.hybrid_suitability:.0%}")
print("\n" + "-" * 70)
print(f"\n RECOMMENDED: {rec.method.upper()}")
print(f" Confidence: {rec.confidence:.0%}")
print(f" Reason: {rec.reasoning}")
print("\n Suggested parameters:")
for key, value in rec.parameters.items():
print(f" --{key.replace('_', '-')}: {value}")
if rec.alternatives:
print("\n Alternatives:")
for alt in rec.alternatives:
print(f" - {alt['method']} ({alt['confidence']:.0%}): {alt['reason']}")
if rec.warnings:
print("\n Warnings:")
for warning in rec.warnings:
print(f" ! {warning}")
print("\n" + "=" * 70)
# Convenience function for quick use
def recommend_method(config_path: Path, db_path: Path = None,
results_dir: Path = None) -> Tuple[MethodRecommendation, 'AdaptiveMethodSelector']:
"""
Quick method recommendation from config file.
Args:
config_path: Path to optimization_config.json
db_path: Optional path to existing study.db
results_dir: Optional path to results directory (for NN quality assessment)
Returns:
Tuple of (MethodRecommendation, AdaptiveMethodSelector)
The selector contains last_nn_quality and last_early_metrics for display
"""
with open(config_path) as f:
config = json.load(f)
selector = AdaptiveMethodSelector()
rec = selector.recommend(config, db_path, early_metrics=None, results_dir=results_dir)
return rec, selector
if __name__ == "__main__":
# Test with a sample config
import sys
if len(sys.argv) > 1:
config_path = Path(sys.argv[1])
db_path = Path(sys.argv[2]) if len(sys.argv) > 2 else None
# Infer results_dir from config_path location (typically in 1_setup)
results_dir = None
if config_path.parent.name == "1_setup":
results_dir = config_path.parent.parent / "2_results"
elif "2_results" in str(config_path):
results_dir = config_path.parent
rec, selector = recommend_method(config_path, db_path, results_dir)
# Also get profile for display
with open(config_path) as f:
config = json.load(f)
profiler = ProblemProfiler()
profile = profiler.analyze(config)
# Print with NN quality metrics if available
print_recommendation(
rec,
profile,
nn_quality=selector.last_nn_quality,
early_metrics=selector.last_early_metrics
)
else:
print("Usage: python method_selector.py <config_path> [db_path]")