superquantx 0.1.0__py3-none-any.whl

superquantx/backends/pennylane_backend.py

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+"""PennyLane backend implementation for SuperQuantX.
+
+This module provides integration with PennyLane for quantum machine learning
+and variational quantum algorithms.
+"""
+
+import logging
+from typing import Any, Callable, Dict, List, Optional, Union
+
+import numpy as np
+
+from .base_backend import BaseBackend
+
+
+logger = logging.getLogger(__name__)
+
+# Try to import PennyLane
+try:
+    import pennylane as qml
+    from pennylane import numpy as pnp
+    PENNYLANE_AVAILABLE = True
+except ImportError:
+    PENNYLANE_AVAILABLE = False
+    qml = None
+    pnp = None
+
+class PennyLaneBackend(BaseBackend):
+    """PennyLane backend for quantum computing operations.
+    
+    This backend provides access to PennyLane's quantum devices and
+    automatic differentiation capabilities for variational quantum
+    algorithms.
+    
+    Args:
+        device: PennyLane device name ('default.qubit', 'qiskit.aer', etc.)
+        wires: Number of qubits/wires
+        shots: Number of measurement shots
+        **kwargs: Additional device parameters
+
+    """
+
+    def __init__(self, device: str = 'default.qubit', wires: int = 4, shots: int = 1024, **kwargs):
+        if not PENNYLANE_AVAILABLE:
+            raise ImportError("PennyLane is required for PennyLaneBackend. Install with: pip install pennylane")
+
+        super().__init__(device=device, shots=shots, **kwargs)
+
+        self.wires = wires
+        self.dev = None
+        self.capabilities = {
+            'supports_gradient': True,
+            'supports_parameter_shift': True,
+            'supports_finite_diff': True,
+            'supports_backprop': device in ['default.qubit'],
+            'supports_adjoint': device in ['default.qubit'],
+        }
+
+    def _initialize_backend(self) -> None:
+        """Initialize PennyLane device."""
+        try:
+            device_kwargs = self.config.copy()
+            device_kwargs.pop('wires', None)  # Remove wires from kwargs if present
+
+            # Create PennyLane device
+            if self.shots is not None and self.shots > 0:
+                self.dev = qml.device(self.device, wires=self.wires, shots=self.shots, **device_kwargs)
+            else:
+                # Exact simulation (no shots)
+                self.dev = qml.device(self.device, wires=self.wires, **device_kwargs)
+
+            logger.info(f"Initialized PennyLane device: {self.device} with {self.wires} wires")
+
+        except Exception as e:
+            logger.error(f"Failed to initialize PennyLane device: {e}")
+            raise
+
+    def create_circuit(self, n_qubits: int) -> Callable:
+        """Create a PennyLane quantum function template."""
+        if n_qubits > self.wires:
+            logger.warning(f"Requested {n_qubits} qubits, but device only has {self.wires} wires")
+            n_qubits = self.wires
+
+        def circuit_template():
+            """Empty circuit template."""
+            return [qml.expval(qml.PauliZ(i)) for i in range(n_qubits)]
+
+        return circuit_template
+
+    def add_gate(self, circuit: Callable, gate: str, qubits: Union[int, List[int]],
+                 params: Optional[List[float]] = None) -> Callable:
+        """Add a quantum gate to the circuit (conceptual - PennyLane uses functions)."""
+        # In PennyLane, gates are added within quantum functions
+        # This method is more for compatibility with the base interface
+        logger.debug(f"Gate {gate} would be added to qubits {qubits} with params {params}")
+        return circuit
+
+    def add_measurement(self, circuit: Callable, qubits: Optional[List[int]] = None) -> Callable:
+        """Add measurement operations (conceptual in PennyLane)."""
+        return circuit
+
+    def execute_circuit(self, circuit: Callable, shots: Optional[int] = None) -> Dict[str, Any]:
+        """Execute quantum circuit and return results."""
+        try:
+            # Create QNode
+            if shots is not None:
+                dev = qml.device(self.device, wires=self.wires, shots=shots)
+                qnode = qml.QNode(circuit, dev)
+            else:
+                qnode = qml.QNode(circuit, self.dev)
+
+            # Execute
+            result = qnode()
+
+            return {
+                'result': result,
+                'shots': shots or self.shots,
+                'device': self.device,
+            }
+
+        except Exception as e:
+            logger.error(f"Circuit execution failed: {e}")
+            raise
+
+    def get_statevector(self, circuit: Callable) -> np.ndarray:
+        """Get the statevector from a quantum circuit."""
+        # Create a statevector device
+        dev_statevector = qml.device('default.qubit', wires=self.wires)
+
+        @qml.qnode(dev_statevector)
+        def statevector_circuit():
+            circuit()
+            return qml.state()
+
+        return np.array(statevector_circuit())
+
+    def _get_n_qubits(self, circuit: Any) -> int:
+        """Get number of qubits in circuit."""
+        return self.wires
+
+    # ========================================================================
+    # Enhanced PennyLane-specific implementations
+    # ========================================================================
+
+    def create_feature_map(self, n_features: int, feature_map: str, reps: int = 1) -> Callable:
+        """Create quantum feature map for data encoding."""
+        if feature_map == 'ZZFeatureMap':
+            return self._create_zz_feature_map(n_features, reps)
+        elif feature_map == 'PauliFeatureMap':
+            return self._create_pauli_feature_map(n_features, reps)
+        elif feature_map == 'AmplitudeMap':
+            return self._create_amplitude_map(n_features)
+        else:
+            logger.warning(f"Unknown feature map '{feature_map}', using angle encoding")
+            return self._create_angle_encoding_map(n_features)
+
+    def _create_zz_feature_map(self, n_features: int, reps: int) -> Callable:
+        """Create ZZ feature map circuit."""
+        def zz_feature_map(x):
+            for r in range(reps):
+                # Single-qubit rotations
+                for i in range(min(n_features, self.wires)):
+                    qml.Hadamard(wires=i)
+                    qml.RZ(x[i], wires=i)
+
+                # Two-qubit interactions
+                for i in range(min(n_features - 1, self.wires - 1)):
+                    qml.CNOT(wires=[i, i + 1])
+                    qml.RZ(x[i] * x[i + 1], wires=i + 1)
+                    qml.CNOT(wires=[i, i + 1])
+
+            return [qml.expval(qml.PauliZ(i)) for i in range(min(n_features, self.wires))]
+
+        return zz_feature_map
+
+    def _create_pauli_feature_map(self, n_features: int, reps: int) -> Callable:
+        """Create Pauli feature map circuit."""
+        def pauli_feature_map(x):
+            for r in range(reps):
+                for i in range(min(n_features, self.wires)):
+                    qml.RX(x[i], wires=i)
+                    qml.RY(x[i], wires=i)
+                    qml.RZ(x[i], wires=i)
+
+                # Entangling layer
+                for i in range(min(n_features - 1, self.wires - 1)):
+                    qml.CNOT(wires=[i, i + 1])
+
+            return [qml.expval(qml.PauliZ(i)) for i in range(min(n_features, self.wires))]
+
+        return pauli_feature_map
+
+    def _create_amplitude_map(self, n_features: int) -> Callable:
+        """Create amplitude encoding map."""
+        def amplitude_map(x):
+            # Normalize input
+            norm = np.linalg.norm(x)
+            if norm > 0:
+                normalized_x = x / norm
+            else:
+                normalized_x = x
+
+            # Pad to power of 2
+            n_qubits = int(np.ceil(np.log2(len(normalized_x))))
+            padded_x = np.pad(normalized_x, (0, 2**n_qubits - len(normalized_x)))
+
+            # Amplitude encoding (simplified)
+            qml.QubitStateVector(padded_x, wires=range(min(n_qubits, self.wires)))
+
+            return [qml.expval(qml.PauliZ(i)) for i in range(min(n_qubits, self.wires))]
+
+        return amplitude_map
+
+    def _create_angle_encoding_map(self, n_features: int) -> Callable:
+        """Create angle encoding map."""
+        def angle_encoding_map(x):
+            for i in range(min(n_features, self.wires)):
+                qml.RY(x[i], wires=i)
+
+            return [qml.expval(qml.PauliZ(i)) for i in range(min(n_features, self.wires))]
+
+        return angle_encoding_map
+
+    def compute_kernel_matrix(self, X1: np.ndarray, X2: np.ndarray,
+                            feature_map: Callable, shots: Optional[int] = None) -> np.ndarray:
+        """Compute quantum kernel matrix using PennyLane."""
+        n1, n2 = len(X1), len(X2)
+        kernel_matrix = np.zeros((n1, n2))
+
+        # Create kernel evaluation circuit
+        def kernel_circuit(x1, x2):
+            # Encode first data point
+            for i in range(min(len(x1), self.wires)):
+                qml.RY(x1[i], wires=i)
+
+            # Encode second data point with inverse
+            for i in range(min(len(x2), self.wires)):
+                qml.RY(-x2[i], wires=i)
+
+            # Measure probability of |00...0⟩ state
+            return qml.probs(wires=range(min(len(x1), self.wires)))
+
+        # Create QNode
+        dev = qml.device(self.device, wires=self.wires, shots=shots) if shots else self.dev
+        kernel_qnode = qml.QNode(kernel_circuit, dev)
+
+        # Compute kernel matrix
+        for i in range(n1):
+            for j in range(n2):
+                try:
+                    probs = kernel_qnode(X1[i], X2[j])
+                    kernel_matrix[i, j] = probs[0]  # Probability of |00...0⟩
+                except Exception as e:
+                    logger.warning(f"Kernel computation failed for ({i},{j}): {e}")
+                    kernel_matrix[i, j] = 0.0
+
+        return kernel_matrix
+
+    def create_ansatz(self, ansatz_type: str, n_qubits: int, params: np.ndarray,
+                     include_custom_gates: bool = False) -> Callable:
+        """Create parameterized ansatz circuit."""
+        if ansatz_type == 'RealAmplitudes':
+            return self._create_real_amplitudes_ansatz(n_qubits, params)
+        elif ansatz_type == 'EfficientSU2':
+            return self._create_efficient_su2_ansatz(n_qubits, params)
+        elif ansatz_type == 'TwoLocal':
+            return self._create_two_local_ansatz(n_qubits, params)
+        elif ansatz_type == 'UCCSD':
+            return self._create_uccsd_ansatz(n_qubits, params)
+        else:
+            logger.warning(f"Unknown ansatz '{ansatz_type}', using RealAmplitudes")
+            return self._create_real_amplitudes_ansatz(n_qubits, params)
+
+    def _create_real_amplitudes_ansatz(self, n_qubits: int, params: np.ndarray) -> Callable:
+        """Create RealAmplitudes ansatz."""
+        def real_amplitudes_circuit():
+            n_layers = len(params) // (n_qubits * 2)
+            param_idx = 0
+
+            for layer in range(n_layers):
+                # Rotation layer
+                for i in range(min(n_qubits, self.wires)):
+                    if param_idx < len(params):
+                        qml.RY(params[param_idx], wires=i)
+                        param_idx += 1
+
+                # Entangling layer
+                for i in range(min(n_qubits - 1, self.wires - 1)):
+                    qml.CNOT(wires=[i, i + 1])
+
+                # Second rotation layer
+                for i in range(min(n_qubits, self.wires)):
+                    if param_idx < len(params):
+                        qml.RZ(params[param_idx], wires=i)
+                        param_idx += 1
+
+            return [qml.expval(qml.PauliZ(i)) for i in range(min(n_qubits, self.wires))]
+
+        return real_amplitudes_circuit
+
+    def _create_efficient_su2_ansatz(self, n_qubits: int, params: np.ndarray) -> Callable:
+        """Create EfficientSU2 ansatz."""
+        def efficient_su2_circuit():
+            n_layers = len(params) // (n_qubits * 3)
+            param_idx = 0
+
+            for layer in range(n_layers):
+                # SU(2) rotations
+                for i in range(min(n_qubits, self.wires)):
+                    if param_idx + 2 < len(params):
+                        qml.RY(params[param_idx], wires=i)
+                        qml.RZ(params[param_idx + 1], wires=i)
+                        qml.RY(params[param_idx + 2], wires=i)
+                        param_idx += 3
+
+                # Entangling layer
+                for i in range(min(n_qubits - 1, self.wires - 1)):
+                    qml.CNOT(wires=[i, i + 1])
+
+            return [qml.expval(qml.PauliZ(i)) for i in range(min(n_qubits, self.wires))]
+
+        return efficient_su2_circuit
+
+    def _create_two_local_ansatz(self, n_qubits: int, params: np.ndarray) -> Callable:
+        """Create TwoLocal ansatz."""
+        def two_local_circuit():
+            n_layers = len(params) // (n_qubits * 2)
+            param_idx = 0
+
+            for layer in range(n_layers):
+                # Local rotations
+                for i in range(min(n_qubits, self.wires)):
+                    if param_idx + 1 < len(params):
+                        qml.RY(params[param_idx], wires=i)
+                        qml.RZ(params[param_idx + 1], wires=i)
+                        param_idx += 2
+
+                # Two-qubit gates
+                for i in range(0, min(n_qubits - 1, self.wires - 1), 2):
+                    qml.CNOT(wires=[i, i + 1])
+                for i in range(1, min(n_qubits - 1, self.wires - 1), 2):
+                    qml.CNOT(wires=[i, i + 1])
+
+            return [qml.expval(qml.PauliZ(i)) for i in range(min(n_qubits, self.wires))]
+
+        return two_local_circuit
+
+    def _create_uccsd_ansatz(self, n_qubits: int, params: np.ndarray) -> Callable:
+        """Create UCCSD ansatz (simplified)."""
+        def uccsd_circuit():
+            # Simplified UCCSD - full implementation would require molecular geometry
+            param_idx = 0
+
+            # Singles excitations
+            for i in range(0, min(n_qubits, self.wires), 2):
+                for j in range(1, min(n_qubits, self.wires), 2):
+                    if param_idx < len(params) and i != j:
+                        # Simplified single excitation
+                        qml.CNOT(wires=[i, j])
+                        qml.RY(params[param_idx], wires=j)
+                        qml.CNOT(wires=[i, j])
+                        param_idx += 1
+
+            # Doubles excitations (simplified)
+            for i in range(0, min(n_qubits - 3, self.wires - 3), 2):
+                if param_idx < len(params):
+                    # Simplified double excitation
+                    qml.CNOT(wires=[i, i + 1])
+                    qml.CNOT(wires=[i + 2, i + 3])
+                    qml.RY(params[param_idx], wires=i + 1)
+                    qml.CNOT(wires=[i, i + 1])
+                    qml.CNOT(wires=[i + 2, i + 3])
+                    param_idx += 1
+
+            return [qml.expval(qml.PauliZ(i)) for i in range(min(n_qubits, self.wires))]
+
+        return uccsd_circuit
+
+    def compute_expectation(self, circuit: Callable, hamiltonian: Any,
+                          shots: Optional[int] = None) -> float:
+        """Compute expectation value of Hamiltonian."""
+        try:
+            # If hamiltonian is a PennyLane Hamiltonian
+            if hasattr(hamiltonian, 'coeffs') and hasattr(hamiltonian, 'ops'):
+                @qml.qnode(self.dev if shots is None else qml.device(self.device, wires=self.wires, shots=shots))
+                def expectation_circuit():
+                    circuit()
+                    return qml.expval(hamiltonian)
+
+                return float(expectation_circuit())
+
+            # If hamiltonian is a matrix, decompose it
+            elif isinstance(hamiltonian, np.ndarray):
+                return self._compute_matrix_expectation(circuit, hamiltonian, shots)
+
+            else:
+                logger.warning("Unknown Hamiltonian format, returning 0")
+                return 0.0
+
+        except Exception as e:
+            logger.error(f"Expectation computation failed: {e}")
+            return 0.0
+
+    def _compute_matrix_expectation(self, circuit: Callable, H: np.ndarray, shots: Optional[int]) -> float:
+        """Compute expectation value for matrix Hamiltonian."""
+        # Get statevector
+        statevector = self.get_statevector(circuit)
+
+        # Compute ⟨ψ|H|ψ⟩
+        expectation = np.real(np.conj(statevector) @ H @ statevector)
+        return float(expectation)
+
+    def get_version_info(self) -> Dict[str, Any]:
+        """Get PennyLane version information."""
+        info = super().get_version_info()
+        info.update({
+            'pennylane_version': qml.version() if qml else 'Not available',
+            'available_devices': qml.plugin_devices if qml else [],
+        })
+        return info