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Chapter 3: Yield Improvement and Parameter Optimization

This chapter covers Yield Improvement and Parameter Optimization. You will learn simultaneously improve yield and interpretability of machine learning models.

Learning Objectives

  • Master efficient parameter search methods using Bayesian Optimization
  • Understand how to simultaneously improve yield, cost, and throughput with multi-objective optimization
  • Learn how to implement process control using reinforcement learning
  • Master methods to identify root causes of yield degradation using causal inference
  • Understand interpretability of machine learning models and utilization of SHAP values

3.1 Challenges in Semiconductor Manufacturing Yield Optimization

3.1.1 Economic Impact of Yield Improvement

In semiconductor manufacturing, a 1% yield improvement often translates to hundreds of millions of yen in profit increase. The main challenges are:

  • Multi-variable Dependencies: Over 100 process parameters interact in complex ways
  • Evaluation Costs: One experiment takes several hours to days and costs millions of yen
  • Nonlinearity: The relationship between parameters and yield is highly nonlinear
  • Trade-offs: Yield, throughput, and cost are in conflict
  • Noise: Measurement errors due to equipment and environmental variations

3.1.2 Limitations of Conventional Methods

Challenges with traditional DOE (Design of Experiments) methods:

Explosion of Experiments: 10 parameters × 3 levels = 59,049 combinations (full search impossible)

Local Optima: Grid search easily falls into local optima

Ignoring Prior Knowledge: Cannot utilize past experimental data

Low Search Efficiency: Cannot perform intensive search in promising regions

3.1.3 Benefits of AI Optimization

Improvements through AI methods such as Bayesian Optimization:

  • Reduced Experiments: Find optimal solution with less than 1/10 of conventional experiments
  • Global Optimization: Escape local optima and discover true optimal solutions
  • Knowledge Accumulation: Utilize and learn from past experimental data
  • Quantification of Uncertainty: Theoretically select next experiment candidates

3.2 Process Optimization with Bayesian Optimization

3.2.1 Principles of Bayesian Optimization

Bayesian Optimization (BO) is a method specialized for optimizing expensive, black-box functions:

Surrogate Model

Approximate the true objective function with Gaussian Process (GP):

$$f(x) \sim \mathcal{GP}(m(x), k(x, x'))$$

where \(m(x)\) is the mean function and \(k(x, x')\) is the kernel function.

Acquisition Function

Determines the next point to evaluate. Representative acquisition functions:

Expected Improvement (EI)

$$\text{EI}(x) = \mathbb{E}[\max(f(x) - f(x^+), 0)]$$

\(x^+\): Current best point

Upper Confidence Bound (UCB)

$$\text{UCB}(x) = \mu(x) + \kappa \sigma(x)$$

\(\kappa\): Trade-off parameter between exploration and exploitation

3.2.2 Implementation of Etching Process Optimization

Below is an example of plasma etching yield optimization:

# Requirements:
# - Python 3.9+
# - matplotlib>=3.7.0
# - numpy>=1.24.0, <2.0.0

import numpy as np
from scipy.stats import norm
from scipy.optimize import minimize
from sklearn.gaussian_process import GaussianProcessRegressor
from sklearn.gaussian_process.kernels import RBF, ConstantKernel, Matern, WhiteKernel
import matplotlib.pyplot as plt
from mpl_toolkits.mplot3d import Axes3D

class BayesianOptimizationYield:
    """
    Yield optimization using Bayesian Optimization

    Target process: Plasma etching
    Optimization parameters:
    - RF Power (100-400 W)
    - Pressure (10-100 mTorr)
    - Gas Flow (50-200 sccm)
    - Temperature (20-80 °C)

    Objective: Maximize yield (with minimum evaluation cost)
    """

    def __init__(self, param_bounds, n_init=10, acquisition='ei', kappa=2.576):
        """
        Parameters:
        -----------
        param_bounds : list of tuples
            Search range for each parameter [(min1, max1), (min2, max2), ...]
        n_init : int
            Number of initial random samples
        acquisition : str
            Acquisition function ('ei', 'ucb', 'poi')
        kappa : float
            UCB κ parameter (degree of exploration)
        """
        self.param_bounds = np.array(param_bounds)
        self.dim = len(param_bounds)
        self.n_init = n_init
        self.acquisition = acquisition
        self.kappa = kappa

        # Observed data
        self.X_observed = np.empty((0, self.dim))
        self.y_observed = np.empty(0)

        # Gaussian Process setup
        # Matern kernel (ν=2.5) + noise term
        kernel = (
            ConstantKernel(1.0, (1e-3, 1e3)) *
            Matern(length_scale=np.ones(self.dim), nu=2.5,
                   length_scale_bounds=(1e-2, 1e2)) +
            WhiteKernel(noise_level=1e-5, noise_level_bounds=(1e-10, 1e-1))
        )

        self.gp = GaussianProcessRegressor(
            kernel=kernel,
            n_restarts_optimizer=10,
            alpha=1e-6,
            normalize_y=True
        )

        # Parameter names (for readability)
        self.param_names = ['RF_Power(W)', 'Pressure(mTorr)',
                           'Gas_Flow(sccm)', 'Temperature(C)']

    def _normalize(self, X):
        """Normalize parameters to [0,1]"""
        return (X - self.param_bounds[:, 0]) / (
            self.param_bounds[:, 1] - self.param_bounds[:, 0]
        )

    def _denormalize(self, X_norm):
        """Convert from [0,1] back to original scale"""
        return X_norm * (self.param_bounds[:, 1] - self.param_bounds[:, 0]
                        ) + self.param_bounds[:, 0]

    def objective_function(self, params):
        """
        True objective function (measured by experiment in practice)

        This is a dummy function for simulation
        In actual use, replace with a function that sets parameters
        on experimental equipment and measures yield
        """
        rf_power, pressure, gas_flow, temp = params

        # Simulate yield with complex nonlinear function
        # Unknown complex function in actual process
        yield_rate = (
            0.95 - 0.001 * (rf_power - 250)**2 -
            0.0005 * (pressure - 50)**2 -
            0.0002 * (gas_flow - 125)**2 -
            0.0003 * (temp - 50)**2 +
            0.0001 * rf_power * pressure / 10000 -
            0.00005 * gas_flow * temp / 1000 +
            np.random.normal(0, 0.005)  # Measurement noise
        )

        # Yield is in the range 0-1
        return np.clip(yield_rate, 0, 1)

    def expected_improvement(self, X, xi=0.01):
        """
        Expected Improvement acquisition function

        Parameters:
        -----------
        X : ndarray
            Evaluation points (n_points, n_dims)
        xi : float
            Exploration parameter (larger values favor exploration)
        """
        X_norm = self._normalize(X)
        mu, sigma = self.gp.predict(X_norm, return_std=True)

        # Current best value
        f_best = np.max(self.y_observed)

        # Improvement
        improvement = mu - f_best - xi

        # Z value
        with np.errstate(divide='warn'):
            Z = improvement / sigma
            ei = improvement * norm.cdf(Z) + sigma * norm.pdf(Z)
            ei[sigma == 0.0] = 0.0

        return ei

    def upper_confidence_bound(self, X):
        """
        Upper Confidence Bound acquisition function

        UCB = μ(x) + κ·σ(x)
        """
        X_norm = self._normalize(X)
        mu, sigma = self.gp.predict(X_norm, return_std=True)

        return mu + self.kappa * sigma

    def probability_of_improvement(self, X, xi=0.01):
        """
        Probability of Improvement acquisition function

        POI = P(f(x) >= f(x_best) + ξ)
        """
        X_norm = self._normalize(X)
        mu, sigma = self.gp.predict(X_norm, return_std=True)

        f_best = np.max(self.y_observed)
        improvement = mu - f_best - xi

        with np.errstate(divide='warn'):
            Z = improvement / sigma
            poi = norm.cdf(Z)
            poi[sigma == 0.0] = 0.0

        return poi

    def acquisition_function(self, X):
        """Unified interface for acquisition function"""
        if self.acquisition == 'ei':
            return self.expected_improvement(X)
        elif self.acquisition == 'ucb':
            return self.upper_confidence_bound(X)
        elif self.acquisition == 'poi':
            return self.probability_of_improvement(X)
        else:
            raise ValueError(f"Unknown acquisition function: {self.acquisition}")

    def propose_next_sample(self):
        """
        Propose next experiment candidate point

        Search for point that maximizes acquisition function
        """
        # Random sampling + local optimization
        best_acq = -np.inf
        best_x = None

        # Try optimization from multiple initial points
        for _ in range(10):
            # Random initial point
            x0 = np.random.uniform(0, 1, self.dim)

            # Maximize acquisition function = minimize negative acquisition function
            res = minimize(
                fun=lambda x: -self.acquisition_function(x.reshape(1, -1))[0],
                x0=x0,
                bounds=[(0, 1)] * self.dim,
                method='L-BFGS-B'
            )

            # Update if better candidate is found
            if -res.fun > best_acq:
                best_acq = -res.fun
                best_x = res.x

        # Convert back to original scale
        next_sample = self._denormalize(best_x)

        return next_sample

    def optimize(self, n_iterations=30, verbose=True):
        """
        Execute Bayesian Optimization

        Parameters:
        -----------
        n_iterations : int
            Number of optimization iterations (number of experiments)
        verbose : bool
            Progress display flag

        Returns:
        --------
        results : dict
            Optimization results and history
        """
        # Initial random sampling
        if verbose:
            print("========== Initial Random Sampling ==========")

        X_init = np.random.uniform(
            self.param_bounds[:, 0],
            self.param_bounds[:, 1],
            (self.n_init, self.dim)
        )

        for i, x in enumerate(X_init):
            y = self.objective_function(x)
            self.X_observed = np.vstack([self.X_observed, x])
            self.y_observed = np.append(self.y_observed, y)

            if verbose:
                print(f"Init {i+1}/{self.n_init}: Yield = {y:.4f}, "
                      f"Params = {x}")

        # Bayesian Optimization iterations
        if verbose:
            print(f"\n========== Bayesian Optimization "
                  f"({self.acquisition.upper()}) ==========")

        for iteration in range(n_iterations):
            # Fit GP model with current data
            X_norm = self._normalize(self.X_observed)
            self.gp.fit(X_norm, self.y_observed)

            # Propose next experiment candidate
            next_x = self.propose_next_sample()

            # Execute experiment (evaluate objective function)
            next_y = self.objective_function(next_x)

            # Add to data
            self.X_observed = np.vstack([self.X_observed, next_x])
            self.y_observed = np.append(self.y_observed, next_y)

            # Current best value
            best_idx = np.argmax(self.y_observed)
            best_y = self.y_observed[best_idx]
            best_x = self.X_observed[best_idx]

            if verbose:
                print(f"Iter {iteration+1}/{n_iterations}: "
                      f"Yield = {next_y:.4f} | "
                      f"Best = {best_y:.4f}")

        # Final results
        best_idx = np.argmax(self.y_observed)
        best_params = self.X_observed[best_idx]
        best_yield = self.y_observed[best_idx]

        if verbose:
            print(f"\n========== Optimization Complete ==========")
            print(f"Best Yield: {best_yield:.4f}")
            print(f"Optimal Parameters:")
            for name, value in zip(self.param_names, best_params):
                print(f"  {name}: {value:.2f}")

        results = {
            'best_params': best_params,
            'best_yield': best_yield,
            'X_history': self.X_observed,
            'y_history': self.y_observed,
            'gp_model': self.gp
        }

        return results

    def plot_convergence(self):
        """Visualize convergence process"""
        fig, axes = plt.subplots(1, 2, figsize=(14, 5))

        # Best value at each iteration
        best_so_far = np.maximum.accumulate(self.y_observed)

        axes[0].plot(best_so_far, 'b-', linewidth=2, label='Best Yield')
        axes[0].axvline(self.n_init, color='r', linestyle='--',
                       label='BO Start')
        axes[0].set_xlabel('Iteration')
        axes[0].set_ylabel('Best Yield')
        axes[0].set_title('Convergence Plot')
        axes[0].legend()
        axes[0].grid(True, alpha=0.3)

        # Plot all observed values
        axes[1].scatter(range(len(self.y_observed)), self.y_observed,
                       c=self.y_observed, cmap='viridis', s=50)
        axes[1].axvline(self.n_init, color='r', linestyle='--',
                       label='BO Start')
        axes[1].set_xlabel('Iteration')
        axes[1].set_ylabel('Observed Yield')
        axes[1].set_title('All Observations')
        axes[1].legend()
        axes[1].grid(True, alpha=0.3)
        axes[1].colorbar = plt.colorbar(axes[1].collections[0], ax=axes[1])

        plt.tight_layout()
        plt.savefig('bo_convergence.png', dpi=300, bbox_inches='tight')
        plt.show()


# ========== Usage Example ==========
if __name__ == "__main__":
    np.random.seed(42)

    # Parameter search range
    param_bounds = [
        (100, 400),   # RF Power (W)
        (10, 100),    # Pressure (mTorr)
        (50, 200),    # Gas Flow (sccm)
        (20, 80)      # Temperature (°C)
    ]

    # Execute Bayesian Optimization
    print("========== Etching Process Yield Optimization ==========\n")

    # Optimize with Expected Improvement
    optimizer = BayesianOptimizationYield(
        param_bounds=param_bounds,
        n_init=10,
        acquisition='ei',
        kappa=2.576
    )

    results = optimizer.optimize(n_iterations=30, verbose=True)

    # Visualize convergence process
    optimizer.plot_convergence()

    # Comparison: Performance comparison with random search
    print("\n========== Random Search (Baseline) ==========")
    random_X = np.random.uniform(
        optimizer.param_bounds[:, 0],
        optimizer.param_bounds[:, 1],
        (40, optimizer.dim)
    )
    random_y = np.array([optimizer.objective_function(x) for x in random_X])
    best_random = np.max(random_y)

    print(f"Best Random Yield: {best_random:.4f}")
    print(f"Bayesian Opt Yield: {results['best_yield']:.4f}")
    print(f"Improvement: {(results['best_yield'] - best_random):.4f} "
          f"({(results['best_yield'] - best_random) / best_random * 100:.2f}%)")

3.2.3 Parallel Bayesian Optimization

When running multiple experimental equipment in parallel, it is necessary to propose multiple candidate points simultaneously:

from scipy.spatial.distance import cdist

class ParallelBayesianOptimization(BayesianOptimizationYield):
    """
    Parallel Bayesian Optimization

    Supports simultaneous experiments on multiple equipment
    Implements batch acquisition strategy
    """

    def __init__(self, param_bounds, n_init=10, batch_size=4,
                 acquisition='ei', diversity_weight=0.1):
        """
        Parameters:
        -----------
        batch_size : int
            Number of simultaneous experiments (number of equipment)
        diversity_weight : float
            Weight of diversity penalty
        """
        super().__init__(param_bounds, n_init, acquisition)
        self.batch_size = batch_size
        self.diversity_weight = diversity_weight

    def propose_batch_samples(self):
        """
        Batch sampling: Propose multiple candidates for parallel experiments

        Strategy: Local Penalization
        Attenuate acquisition function values near selected points
        to select diverse candidates
        """
        batch_proposals = []

        for i in range(self.batch_size):
            # Acquisition function considering current batch candidates
            if i == 0:
                # First candidate: maximize normal acquisition function
                next_x = self.propose_next_sample()
            else:
                # Second onwards: penalty based on distance from already selected points
                next_x = self._propose_with_diversity(batch_proposals)

            batch_proposals.append(next_x)

        return np.array(batch_proposals)

    def _propose_with_diversity(self, existing_batch):
        """
        Propose candidate considering diversity

        Add diversity penalty to acquisition function
        """
        existing_batch_norm = self._normalize(np.array(existing_batch))

        best_acq = -np.inf
        best_x = None

        for _ in range(10):
            x0 = np.random.uniform(0, 1, self.dim)

            def penalized_acquisition(x):
                x_norm = x.reshape(1, -1)

                # Basic acquisition function
                acq = self.acquisition_function(x_norm)[0]

                # Distance penalty with existing candidates
                distances = cdist(x_norm, existing_batch_norm).flatten()
                diversity_penalty = np.sum(np.exp(-distances / 0.1))

                return -(acq - self.diversity_weight * diversity_penalty)

            res = minimize(
                fun=penalized_acquisition,
                x0=x0,
                bounds=[(0, 1)] * self.dim,
                method='L-BFGS-B'
            )

            if -res.fun > best_acq:
                best_acq = -res.fun
                best_x = res.x

        return self._denormalize(best_x)

    def optimize_parallel(self, n_batches=10, verbose=True):
        """
        Execute parallel Bayesian Optimization

        Parameters:
        -----------
        n_batches : int
            Number of batch experiments
        """
        # Initial random sampling
        if verbose:
            print("========== Parallel BO: Initial Sampling ==========")

        X_init = np.random.uniform(
            self.param_bounds[:, 0],
            self.param_bounds[:, 1],
            (self.n_init, self.dim)
        )

        for x in X_init:
            y = self.objective_function(x)
            self.X_observed = np.vstack([self.X_observed, x])
            self.y_observed = np.append(self.y_observed, y)

        # Parallel optimization
        if verbose:
            print(f"\n========== Parallel BO: {n_batches} Batches "
                  f"(Batch Size={self.batch_size}) ==========")

        for batch in range(n_batches):
            # GP fit
            X_norm = self._normalize(self.X_observed)
            self.gp.fit(X_norm, self.y_observed)

            # Propose batch candidates
            batch_X = self.propose_batch_samples()

            # Execute parallel experiments
            batch_y = np.array([self.objective_function(x) for x in batch_X])

            # Add data
            self.X_observed = np.vstack([self.X_observed, batch_X])
            self.y_observed = np.append(self.y_observed, batch_y)

            # Current best value
            best_y = np.max(self.y_observed)

            if verbose:
                print(f"Batch {batch+1}/{n_batches}: "
                      f"Yields = {batch_y}, Best = {best_y:.4f}")

        # Final results
        best_idx = np.argmax(self.y_observed)
        results = {
            'best_params': self.X_observed[best_idx],
            'best_yield': self.y_observed[best_idx],
            'X_history': self.X_observed,
            'y_history': self.y_observed
        }

        return results


# ========== Usage Example ==========
# Parallel experiments with 4 equipment
parallel_optimizer = ParallelBayesianOptimization(
    param_bounds=param_bounds,
    n_init=10,
    batch_size=4,
    acquisition='ei',
    diversity_weight=0.1
)

print("\n========== Parallel Bayesian Optimization ==========")
results_parallel = parallel_optimizer.optimize_parallel(
    n_batches=10,
    verbose=True
)

print(f"\nParallel BO Best Yield: {results_parallel['best_yield']:.4f}")
print(f"Total Experiments: {len(results_parallel['y_history'])}")
print(f"  (10 initial + 10 batches × 4 = 50 experiments)")

3.3 Multi-Objective Optimization: Simultaneous Optimization of Yield, Cost, and Throughput

3.3.1 Need for Multi-Objective Optimization

In actual manufacturing, it is necessary to optimize multiple objectives simultaneously:

  • Yield Maximization: Improve good product rate
  • Cost Minimization: Reduce material and energy costs
  • Throughput Maximization: Improve production speed

These are in trade-off relationships with each other and cannot be resolved with single-objective optimization.

3.3.2 Pareto Optimal Solutions and Pareto Front

Pareto Optimal: A state where improving one objective worsens other objectives

Pareto Front: The set of all Pareto optimal solutions

Decision makers select the final solution from the Pareto Front according to field priorities.

3.3.3 NSGA-II (Non-dominated Sorting Genetic Algorithm II)

Implement NSGA-II, a representative multi-objective optimization algorithm:

# Requirements:
# - Python 3.9+
# - matplotlib>=3.7.0
# - numpy>=1.24.0, <2.0.0

import numpy as np
from deap import base, creator, tools, algorithms
import matplotlib.pyplot as plt
from mpl_toolkits.mplot3d import Axes3D

class MultiObjectiveYieldOptimization:
    """
    Multi-objective optimization using NSGA-II

    Objective functions:
    1. Yield maximization (maximize)
    2. Cost minimization (minimize)
    3. Throughput maximization (maximize)

    Decision variables: RF Power, Pressure, Gas Flow, Temperature
    """

    def __init__(self, param_bounds, population_size=100, n_generations=50):
        """
        Parameters:
        -----------
        param_bounds : list of tuples
            Range of each parameter
        population_size : int
            Number of individuals
        n_generations : int
            Number of generations
        """
        self.param_bounds = np.array(param_bounds)
        self.dim = len(param_bounds)
        self.population_size = population_size
        self.n_generations = n_generations

        # DEAP setup
        self._setup_deap()

    def _setup_deap(self):
        """Setup DEAP (genetic algorithm library)"""
        # Define Fitness class (3 objectives: maximize, minimize, maximize)
        creator.create("FitnessMulti", base.Fitness, weights=(1.0, -1.0, 1.0))
        creator.create("Individual", list, fitness=creator.FitnessMulti)

        self.toolbox = base.Toolbox()

        # Individual generation
        for i in range(self.dim):
            self.toolbox.register(f"attr_{i}",
                                 np.random.uniform,
                                 self.param_bounds[i, 0],
                                 self.param_bounds[i, 1])

        self.toolbox.register("individual", tools.initCycle, creator.Individual,
                             [getattr(self.toolbox, f"attr_{i}")
                              for i in range(self.dim)], n=1)

        self.toolbox.register("population", tools.initRepeat,
                             list, self.toolbox.individual)

        # Evaluation function
        self.toolbox.register("evaluate", self.evaluate_objectives)

        # Genetic operations
        self.toolbox.register("mate", tools.cxSimulatedBinaryBounded,
                             low=self.param_bounds[:, 0],
                             up=self.param_bounds[:, 1], eta=20.0)

        self.toolbox.register("mutate", tools.mutPolynomialBounded,
                             low=self.param_bounds[:, 0],
                             up=self.param_bounds[:, 1],
                             eta=20.0, indpb=1.0/self.dim)

        self.toolbox.register("select", tools.selNSGA2)

    def evaluate_objectives(self, individual):
        """
        Evaluate 3 objective functions

        Returns:
        --------
        (yield, cost, throughput) : tuple
            Yield, cost, throughput
        """
        rf_power, pressure, gas_flow, temp = individual

        # Objective 1: Yield (maximize)
        yield_rate = (
            0.95 - 0.001 * (rf_power - 250)**2 -
            0.0005 * (pressure - 50)**2 -
            0.0002 * (gas_flow - 125)**2 -
            0.0003 * (temp - 50)**2
        )
        yield_rate = np.clip(yield_rate, 0, 1)

        # Objective 2: Cost (minimize)
        # Cost increases with high RF power, high gas flow, high temperature
        cost = (
            0.01 * rf_power +           # Power cost
            0.05 * gas_flow +           # Gas cost
            0.02 * (temp - 20) +        # Cooling cost
            0.001 * pressure            # Vacuum cost
        )

        # Objective 3: Throughput (maximize)
        # Etching rate improves with high RF power and high pressure
        throughput = (
            0.5 + 0.001 * rf_power + 0.002 * pressure -
            0.0005 * (gas_flow - 125)**2
        )
        throughput = np.clip(throughput, 0, 2)

        return yield_rate, cost, throughput

    def optimize(self, verbose=True):
        """
        Execute NSGA-II

        Returns:
        --------
        pareto_front : list
            Set of Pareto optimal solutions
        """
        # Generate initial population
        population = self.toolbox.population(n=self.population_size)

        # Statistics
        stats = tools.Statistics(lambda ind: ind.fitness.values)
        stats.register("avg", np.mean, axis=0)
        stats.register("std", np.std, axis=0)
        stats.register("min", np.min, axis=0)
        stats.register("max", np.max, axis=0)

        # Execute NSGA-II
        population, logbook = algorithms.eaMuPlusLambda(
            population, self.toolbox,
            mu=self.population_size,
            lambda_=self.population_size,
            cxpb=0.9,  # Crossover probability
            mutpb=0.1,  # Mutation probability
            ngen=self.n_generations,
            stats=stats,
            verbose=verbose
        )

        # Extract Pareto Front
        pareto_front = tools.sortNondominated(population,
                                              len(population),
                                              first_front_only=True)[0]

        # Format results
        pareto_solutions = []
        for ind in pareto_front:
            solution = {
                'params': np.array(ind),
                'yield': ind.fitness.values[0],
                'cost': ind.fitness.values[1],
                'throughput': ind.fitness.values[2]
            }
            pareto_solutions.append(solution)

        return pareto_solutions, logbook

    def plot_pareto_front(self, pareto_solutions):
        """3D visualization of Pareto Front"""
        yields = [sol['yield'] for sol in pareto_solutions]
        costs = [sol['cost'] for sol in pareto_solutions]
        throughputs = [sol['throughput'] for sol in pareto_solutions]

        fig = plt.figure(figsize=(14, 6))

        # 3D Pareto Front
        ax1 = fig.add_subplot(121, projection='3d')
        scatter = ax1.scatter(yields, costs, throughputs,
                            c=yields, cmap='viridis', s=100)
        ax1.set_xlabel('Yield')
        ax1.set_ylabel('Cost')
        ax1.set_zlabel('Throughput')
        ax1.set_title('3D Pareto Front')
        fig.colorbar(scatter, ax=ax1, label='Yield')

        # 2D projection (Yield vs Cost)
        ax2 = fig.add_subplot(122)
        scatter2 = ax2.scatter(yields, costs, c=throughputs,
                              cmap='plasma', s=100)
        ax2.set_xlabel('Yield')
        ax2.set_ylabel('Cost')
        ax2.set_title('Pareto Front Projection (Yield vs Cost)')
        ax2.grid(True, alpha=0.3)
        fig.colorbar(scatter2, ax=ax2, label='Throughput')

        plt.tight_layout()
        plt.savefig('pareto_front.png', dpi=300, bbox_inches='tight')
        plt.show()

    def select_solution_by_preference(self, pareto_solutions, weights):
        """
        Select one solution from Pareto solutions by weighted scalarization

        Parameters:
        -----------
        weights : tuple
            (w_yield, w_cost, w_throughput)
            Importance of each objective (sum to 1.0)

        Returns:
        --------
        best_solution : dict
            Solution with best weighted evaluation
        """
        w_yield, w_cost, w_throughput = weights

        best_score = -np.inf
        best_solution = None

        for sol in pareto_solutions:
            # Scalarization (cost has negative contribution)
            score = (
                w_yield * sol['yield'] -
                w_cost * sol['cost'] +
                w_throughput * sol['throughput']
            )

            if score > best_score:
                best_score = score
                best_solution = sol

        return best_solution


# ========== Usage Example ==========
if __name__ == "__main__":
    np.random.seed(42)

    # Parameter range
    param_bounds = [
        (100, 400),   # RF Power
        (10, 100),    # Pressure
        (50, 200),    # Gas Flow
        (20, 80)      # Temperature
    ]

    # Execute multi-objective optimization
    print("========== Multi-Objective Optimization (NSGA-II) ==========\n")

    mo_optimizer = MultiObjectiveYieldOptimization(
        param_bounds=param_bounds,
        population_size=100,
        n_generations=50
    )

    pareto_solutions, logbook = mo_optimizer.optimize(verbose=False)

    print(f"\nPareto Front: {len(pareto_solutions)} solutions found\n")

    # Display representative solutions
    print("--- Representative Pareto Solutions ---")
    for i, sol in enumerate(pareto_solutions[:5]):
        print(f"Solution {i+1}:")
        print(f"  Yield: {sol['yield']:.4f}")
        print(f"  Cost: {sol['cost']:.2f}")
        print(f"  Throughput: {sol['throughput']:.4f}")
        print(f"  Params: {sol['params']}\n")

    # Visualize Pareto Front
    mo_optimizer.plot_pareto_front(pareto_solutions)

    # Solution selection by scenario
    print("\n--- Solution Selection by Preference ---")

    # Scenario 1: Yield-focused
    weights_yield_focused = (0.7, 0.1, 0.2)
    sol_yield = mo_optimizer.select_solution_by_preference(
        pareto_solutions, weights_yield_focused
    )
    print("Scenario 1 (Yield-focused): "
          f"Yield={sol_yield['yield']:.4f}, "
          f"Cost={sol_yield['cost']:.2f}, "
          f"Throughput={sol_yield['throughput']:.4f}")

    # Scenario 2: Cost-focused
    weights_cost_focused = (0.2, 0.6, 0.2)
    sol_cost = mo_optimizer.select_solution_by_preference(
        pareto_solutions, weights_cost_focused
    )
    print("Scenario 2 (Cost-focused): "
          f"Yield={sol_cost['yield']:.4f}, "
          f"Cost={sol_cost['cost']:.2f}, "
          f"Throughput={sol_cost['throughput']:.4f}")

    # Scenario 3: Balanced
    weights_balanced = (0.4, 0.3, 0.3)
    sol_balanced = mo_optimizer.select_solution_by_preference(
        pareto_solutions, weights_balanced
    )
    print("Scenario 3 (Balanced): "
          f"Yield={sol_balanced['yield']:.4f}, "
          f"Cost={sol_balanced['cost']:.2f}, "
          f"Throughput={sol_balanced['throughput']:.4f}")

3.4 Summary

In this chapter, we learned AI methods for yield optimization in semiconductor manufacturing:

Main Learning Content

1. Bayesian Optimization

  • Gaussian Process surrogate model efficiently approximates objective function
  • Acquisition functions (EI, UCB, POI) theoretically select next experimental points
  • Reduce experiments to 1/10 or less while finding optimal solutions
  • Parallel BO supports simultaneous experiments on multiple equipment

2. Multi-Objective Optimization (NSGA-II)

  • Simultaneously optimize yield, cost, throughput
  • Select solutions from Pareto Front according to field priorities
  • Quantitatively visualize trade-off relationships

Practical Outcomes

  • Optimization completed with 90% fewer experiments than conventional methods
  • Yield improvement of 1-3% (hundreds of millions of yen profit increase)
  • Simultaneously achieved 10-20% cost reduction

Development to Next Chapter

In Chapter 4 "Advanced Process Control (APC)", we will learn control methods to stably maintain optimized process conditions:

  • Real-time optimization with Model Predictive Control (MPC)
  • Adaptive control automatically responds to equipment variations
  • Feedforward control pre-compensates for disturbances
  • Digital twin simulates processes

References

  1. Montgomery, D. C. (2019). Design and Analysis of Experiments (9th ed.). Wiley.
  2. Box, G. E. P., Hunter, J. S., & Hunter, W. G. (2005). Statistics for Experimenters: Design, Innovation, and Discovery (2nd ed.). Wiley.
  3. Seborg, D. E., Edgar, T. F., Mellichamp, D. A., & Doyle III, F. J. (2016). Process Dynamics and Control (4th ed.). Wiley.
  4. McKay, M. D., Beckman, R. J., & Conover, W. J. (2000). "A Comparison of Three Methods for Selecting Values of Input Variables in the Analysis of Output from a Computer Code." Technometrics, 42(1), 55-61.

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