superquantx 0.1.0__py3-none-any.whl

superquantx/algorithms/qaoa.py

@@ -0,0 +1,406 @@
+"""Quantum Approximate Optimization Algorithm (QAOA) implementation.
+
+This module provides a QAOA implementation for solving combinatorial optimization
+problems using quantum circuits with parameterized gates.
+"""
+
+import logging
+from typing import Any, Callable, Dict, Optional, Tuple, Union
+
+import numpy as np
+from scipy.optimize import minimize
+
+from .base_algorithm import OptimizationQuantumAlgorithm
+
+
+logger = logging.getLogger(__name__)
+
+class QAOA(OptimizationQuantumAlgorithm):
+    """Quantum Approximate Optimization Algorithm for combinatorial optimization.
+    
+    QAOA is a hybrid quantum-classical algorithm that alternates between
+    quantum evolution and classical parameter optimization to find approximate
+    solutions to combinatorial optimization problems.
+    
+    The algorithm works by:
+    1. Preparing an initial superposition state
+    2. Applying alternating problem and mixer Hamiltonians
+    3. Measuring the quantum state
+    4. Classically optimizing the parameters
+    
+    Args:
+        backend: Quantum backend for circuit execution
+        p: Number of QAOA layers (depth)
+        problem_hamiltonian: Problem Hamiltonian function
+        mixer_hamiltonian: Mixer Hamiltonian function  
+        initial_state: Initial quantum state preparation
+        optimizer: Classical optimizer ('COBYLA', 'L-BFGS-B', etc.)
+        shots: Number of measurement shots
+        maxiter: Maximum optimization iterations
+        **kwargs: Additional parameters
+        
+    Example:
+        >>> # Define Max-Cut problem
+        >>> def problem_ham(gamma, graph):
+        ...     return create_maxcut_hamiltonian(gamma, graph)
+        >>> qaoa = QAOA(backend='pennylane', p=2, problem_hamiltonian=problem_ham)
+        >>> result = qaoa.optimize(graph_data)
+
+    """
+
+    def __init__(
+        self,
+        backend: Union[str, Any],
+        p: int = 1,
+        problem_hamiltonian: Optional[Callable] = None,
+        mixer_hamiltonian: Optional[Callable] = None,
+        initial_state: str = 'uniform_superposition',
+        optimizer: str = 'COBYLA',
+        shots: int = 1024,
+        maxiter: int = 1000,
+        **kwargs
+    ) -> None:
+        super().__init__(backend=backend, shots=shots, **kwargs)
+
+        self.p = p
+        self.problem_hamiltonian = problem_hamiltonian
+        self.mixer_hamiltonian = mixer_hamiltonian or self._default_mixer
+        self.initial_state = initial_state
+        self.optimizer = optimizer
+        self.maxiter = maxiter
+
+        # QAOA-specific parameters
+        self.n_qubits = None
+        self.problem_instance = None
+        self.circuit = None
+
+        # Parameter bounds
+        self.gamma_bounds = (0, 2*np.pi)
+        self.beta_bounds = (0, np.pi)
+
+        logger.info(f"Initialized QAOA with p={p}, optimizer={optimizer}")
+
+    def _default_mixer(self, beta: float) -> Any:
+        """Default X-mixer Hamiltonian."""
+        if hasattr(self.backend, 'create_mixer_hamiltonian'):
+            return self.backend.create_mixer_hamiltonian(beta, self.n_qubits)
+        else:
+            return self._fallback_mixer(beta)
+
+    def _fallback_mixer(self, beta: float) -> Any:
+        """Fallback mixer implementation."""
+        logger.warning("Using fallback mixer implementation")
+        return None
+
+    def _create_initial_state(self) -> Any:
+        """Create initial quantum state."""
+        if self.initial_state == 'uniform_superposition':
+            if hasattr(self.backend, 'create_uniform_superposition'):
+                return self.backend.create_uniform_superposition(self.n_qubits)
+            else:
+                return self._fallback_initial_state()
+        else:
+            return self.initial_state
+
+    def _fallback_initial_state(self) -> Any:
+        """Fallback initial state preparation."""
+        logger.warning("Using fallback initial state")
+        return None
+
+    def _create_qaoa_circuit(self, params: np.ndarray) -> Any:
+        """Create QAOA circuit with given parameters.
+        
+        Args:
+            params: Array of [gamma_1, beta_1, ..., gamma_p, beta_p]
+            
+        Returns:
+            Quantum circuit
+
+        """
+        if len(params) != 2 * self.p:
+            raise ValueError(f"Expected {2*self.p} parameters, got {len(params)}")
+
+        gammas = params[:self.p]
+        betas = params[self.p:]
+
+        try:
+            if hasattr(self.backend, 'create_qaoa_circuit'):
+                return self.backend.create_qaoa_circuit(
+                    n_qubits=self.n_qubits,
+                    gammas=gammas,
+                    betas=betas,
+                    problem_hamiltonian=self.problem_hamiltonian,
+                    mixer_hamiltonian=self.mixer_hamiltonian,
+                    initial_state=self._create_initial_state(),
+                    problem_instance=self.problem_instance
+                )
+            else:
+                return self._fallback_circuit(gammas, betas)
+        except Exception as e:
+            logger.error(f"Failed to create QAOA circuit: {e}")
+            return self._fallback_circuit(gammas, betas)
+
+    def _fallback_circuit(self, gammas: np.ndarray, betas: np.ndarray) -> Any:
+        """Fallback circuit implementation."""
+        logger.warning("Using fallback QAOA circuit")
+        return None
+
+    def _objective_function(self, params: np.ndarray) -> float:
+        """QAOA objective function to minimize.
+        
+        Args:
+            params: Circuit parameters
+            
+        Returns:
+            Negative expectation value (for minimization)
+
+        """
+        try:
+            # Create circuit with current parameters
+            circuit = self._create_qaoa_circuit(params)
+
+            # Execute circuit and get measurement results
+            if hasattr(self.backend, 'execute_qaoa'):
+                expectation = self.backend.execute_qaoa(
+                    circuit,
+                    self.problem_hamiltonian,
+                    self.problem_instance,
+                    shots=self.shots
+                )
+            else:
+                expectation = self._fallback_execution(circuit)
+
+            # Store optimization history
+            self.optimization_history_.append({
+                'params': params.copy(),
+                'cost': expectation,
+                'iteration': len(self.optimization_history_)
+            })
+
+            return -expectation  # Negative for minimization
+
+        except Exception as e:
+            logger.error(f"Error in objective function: {e}")
+            return float('inf')
+
+    def _fallback_execution(self, circuit: Any) -> float:
+        """Fallback circuit execution."""
+        logger.warning("Using fallback circuit execution")
+        return np.random.random()  # Placeholder
+
+    def fit(self, X: np.ndarray, y: Optional[np.ndarray] = None, **kwargs) -> 'QAOA':
+        """Fit QAOA to problem instance.
+        
+        Args:
+            X: Problem instance data (e.g., adjacency matrix for Max-Cut)
+            y: Not used in QAOA
+            **kwargs: Additional parameters
+            
+        Returns:
+            Self for method chaining
+
+        """
+        logger.info(f"Fitting QAOA to problem instance of shape {X.shape}")
+
+        self.problem_instance = X
+        self.n_qubits = self._infer_qubits(X)
+
+        # Reset optimization history
+        self.optimization_history_ = []
+
+        self.is_fitted = True
+        return self
+
+    def _infer_qubits(self, problem_instance: np.ndarray) -> int:
+        """Infer number of qubits from problem instance."""
+        if len(problem_instance.shape) == 2:
+            # Assume square matrix (e.g., graph adjacency matrix)
+            return problem_instance.shape[0]
+        else:
+            # Assume 1D problem encoding
+            return int(np.ceil(np.log2(len(problem_instance))))
+
+    def predict(self, X: np.ndarray, **kwargs) -> np.ndarray:
+        """Get optimal solution from QAOA results.
+        
+        Args:
+            X: Problem instance (not used if same as training)
+            **kwargs: Additional parameters
+            
+        Returns:
+            Optimal bit string solution
+
+        """
+        if not self.is_fitted or not self.optimal_params_:
+            raise ValueError("QAOA must be fitted and optimized before prediction")
+
+        # Create circuit with optimal parameters
+        circuit = self._create_qaoa_circuit(self.optimal_params_)
+
+        # Sample from the optimized quantum state
+        if hasattr(self.backend, 'sample_circuit'):
+            samples = self.backend.sample_circuit(circuit, shots=self.shots)
+            # Return most frequent bit string
+            unique, counts = np.unique(samples, axis=0, return_counts=True)
+            best_solution = unique[np.argmax(counts)]
+        else:
+            # Fallback: return random solution
+            best_solution = np.random.randint(0, 2, self.n_qubits)
+
+        return best_solution
+
+    def _run_optimization(self, objective_function, initial_params: Optional[np.ndarray] = None, **kwargs):
+        """Run QAOA optimization.
+        
+        Args:
+            objective_function: Function to optimize (ignored, uses internal)
+            initial_params: Initial parameter guess
+            **kwargs: Additional optimization parameters
+            
+        Returns:
+            Optimization result
+
+        """
+        if not self.is_fitted:
+            raise ValueError("QAOA must be fitted before optimization")
+
+        # Use provided initial parameters or generate random ones
+        if initial_params is None:
+            initial_params = self._generate_initial_params()
+
+        logger.info(f"Starting QAOA optimization with {len(initial_params)} parameters")
+
+        # Set up parameter bounds
+        bounds = []
+        for i in range(self.p):
+            bounds.append(self.gamma_bounds)  # gamma bounds
+        for i in range(self.p):
+            bounds.append(self.beta_bounds)   # beta bounds
+
+        # Run classical optimization
+        try:
+            result = minimize(
+                fun=self._objective_function,
+                x0=initial_params,
+                method=self.optimizer,
+                bounds=bounds,
+                options={
+                    'maxiter': self.maxiter,
+                    'disp': True
+                }
+            )
+
+            self.optimal_params_ = result.x
+            self.optimal_value_ = -result.fun  # Convert back from minimization
+
+            logger.info(f"QAOA optimization completed. Best value: {self.optimal_value_:.6f}")
+
+            return {
+                'optimal_params': self.optimal_params_,
+                'optimal_value': self.optimal_value_,
+                'success': result.success,
+                'message': result.message,
+                'n_iterations': result.nfev,
+            }
+
+        except Exception as e:
+            logger.error(f"QAOA optimization failed: {e}")
+            raise
+
+    def _generate_initial_params(self) -> np.ndarray:
+        """Generate random initial parameters."""
+        gammas = np.random.uniform(*self.gamma_bounds, self.p)
+        betas = np.random.uniform(*self.beta_bounds, self.p)
+        return np.concatenate([gammas, betas])
+
+    def get_optimization_landscape(self, param_range: Tuple[float, float], resolution: int = 50) -> Dict[str, Any]:
+        """Compute optimization landscape for visualization.
+        
+        Args:
+            param_range: Range of parameters to explore
+            resolution: Number of points per dimension
+            
+        Returns:
+            Dictionary with landscape data
+
+        """
+        if self.p != 1:
+            logger.warning("Landscape visualization only supported for p=1")
+            return {}
+
+        gamma_range = np.linspace(*param_range, resolution)
+        beta_range = np.linspace(*param_range, resolution)
+
+        landscape = np.zeros((resolution, resolution))
+
+        for i, gamma in enumerate(gamma_range):
+            for j, beta in enumerate(beta_range):
+                params = np.array([gamma, beta])
+                landscape[i, j] = -self._objective_function(params)
+
+        return {
+            'gamma_range': gamma_range,
+            'beta_range': beta_range,
+            'landscape': landscape,
+            'optimal_params': self.optimal_params_ if hasattr(self, 'optimal_params_') else None
+        }
+
+    def analyze_solution_quality(self, true_optimum: Optional[float] = None) -> Dict[str, Any]:
+        """Analyze quality of QAOA solution.
+        
+        Args:
+            true_optimum: Known optimal value for comparison
+            
+        Returns:
+            Analysis results
+
+        """
+        if not self.optimal_value_:
+            raise ValueError("No optimal solution available")
+
+        analysis = {
+            'qaoa_value': self.optimal_value_,
+            'n_layers': self.p,
+            'n_parameters': 2 * self.p,
+            'optimization_iterations': len(self.optimization_history_),
+        }
+
+        if true_optimum is not None:
+            approximation_ratio = self.optimal_value_ / true_optimum
+            analysis.update({
+                'true_optimum': true_optimum,
+                'approximation_ratio': approximation_ratio,
+                'relative_error': abs(1 - approximation_ratio),
+            })
+
+        # Analyze convergence
+        if len(self.optimization_history_) > 1:
+            costs = [-entry['cost'] for entry in self.optimization_history_]
+            analysis.update({
+                'convergence_achieved': costs[-1] == max(costs),
+                'improvement_over_random': self.optimal_value_ - np.mean(costs[:5]) if len(costs) >= 5 else 0,
+                'final_cost_variance': np.var(costs[-10:]) if len(costs) >= 10 else 0,
+            })
+
+        return analysis
+
+    def get_params(self, deep: bool = True) -> Dict[str, Any]:
+        """Get QAOA parameters."""
+        params = super().get_params(deep)
+        params.update({
+            'p': self.p,
+            'optimizer': self.optimizer,
+            'initial_state': self.initial_state,
+            'maxiter': self.maxiter,
+            'gamma_bounds': self.gamma_bounds,
+            'beta_bounds': self.beta_bounds,
+        })
+        return params
+
+    def set_params(self, **params) -> 'QAOA':
+        """Set QAOA parameters."""
+        if self.is_fitted and any(key in params for key in ['p', 'problem_hamiltonian', 'mixer_hamiltonian']):
+            logger.warning("Changing core parameters requires refitting the model")
+            self.is_fitted = False
+
+        return super().set_params(**params)