""" Quantum Environment Bridge © 2025 The MITRE Corporation, All Rights Reserved """ import numpy as np import torch from typing import Dict, Tuple, Optional from functools import lru_cache from metaqctrl.quantum.lindblad import LindbladSimulator from metaqctrl.quantum.lindblad_torch import DifferentiableLindbladSimulator, numpy_to_torch_complex from metaqctrl.quantum.noise_adapter import NoiseParameters from metaqctrl.quantum.noise_models_v2 import * from metaqctrl.quantum.gates import state_fidelity class QuantumEnvironment: """ Unified environment for quantum control. """ def __init__( self, H0: np.ndarray, H_controls: list, psd_to_lindblad, target_state: np.ndarray, T: float = 1, method: str = 'RK45', target_unitary: np.ndarray = None ): """ Args: H0: Drift Hamiltonian H_controls: List of control Hamiltonians psd_to_lindblad: PSDToLindblad instance target_state: Target density matrix T: Evolution time method: Integration method target_unitary: Target unitary gate (optional, for process fidelity) """ self.H0 = H0 self.H_controls = H_controls self.psd_to_lindblad = psd_to_lindblad self.target_state = target_state self.target_unitary = target_unitary # Store for process fidelity self.T = T self.method = method self.sequence = None self.omega0 = None self.d = H0.shape[0] self.n_controls = len(H_controls) self._L_cache = {} self._sim_cache = {} self._torch_sim_cache = {} self.rho0 = np.zeros((self.d, self.d), dtype=complex) self.rho0[0, 0] = 1.0 @property def num_controls(self) -> int: """Alias for n_controls for backward compatibility.""" return self.n_controls @property def evolution_time(self) -> float: """Alias for T for backward compatibility.""" return self.T @property def omega_control(self) -> np.ndarray: """Control frequencies - placeholder for compatibility.""" return np.array([1.0, 5.0, 10.0]) @property def control_susceptibility(self) -> np.ndarray: """Control susceptibility matrix - placeholder for compatibility.""" return np.eye(len(self.H_controls)) def compute_fidelity(self, controls: np.ndarray, task_params: NoiseParameters) -> float: """Alias for evaluate_controls for backward compatibility.""" return self.evaluate_controls(controls, task_params, return_trajectory=False) def _task_hash(self, task_params: NoiseParameters) -> tuple: """Create hashable key for task (including model type).""" return ( round(task_params.alpha, 6), round(task_params.A, 6), round(task_params.omega_c, 6), task_params.model_type ) def get_lindblad_operators(self, task_params: NoiseParameters) -> list: """ Get Lindblad operators for task with caching. Args: task_params: Task noise parameters Returns: L_ops: List of Lindblad operators """ key = self._task_hash(task_params) if key not in self._L_cache: L_ops = self.psd_to_lindblad.get_lindblad_operators(task_params) self._L_cache[key] = L_ops return self._L_cache[key] def get_simulator(self, task_params: NoiseParameters) -> LindbladSimulator: """ Get simulator for task with caching. Args: task_params: Task noise parameters Returns: sim: LindbladSimulator instance """ key = self._task_hash(task_params) if key not in self._sim_cache: L_ops = self.get_lindblad_operators(task_params) sim = LindbladSimulator( H0=self.H0, H_controls=self.H_controls, L_operators=L_ops, method=self.method ) self._sim_cache[key] = sim return self._sim_cache[key] def get_torch_simulator( self, task_params: NoiseParameters, device: torch.device, dt: float = 0.01, use_rk4: bool = True ) -> DifferentiableLindbladSimulator: """ Get cached differentiable PyTorch simulator for task. Args: task_params: Task noise parameters device: torch device dt: Integration time step use_rk4: If True, use RK4 integration Returns: sim: Cached DifferentiableLindbladSimulator instance """ key = (self._task_hash(task_params), str(device), dt, use_rk4) if key not in self._torch_sim_cache: L_ops_numpy = self.psd_to_lindblad.get_lindblad_operators(task_params) H0_torch = numpy_to_torch_complex(self.H0, device) H_controls_torch = [numpy_to_torch_complex(H, device) for H in self.H_controls] L_ops_torch = [numpy_to_torch_complex(L, device) for L in L_ops_numpy] sim = DifferentiableLindbladSimulator( H0=H0_torch, H_controls=H_controls_torch, L_operators=L_ops_torch, dt=dt, method='rk4' if use_rk4 else 'euler', device=device ) self._torch_sim_cache[key] = sim return self._torch_sim_cache[key] def evaluate_controls( self, controls: np.ndarray, task_params: NoiseParameters, return_trajectory: bool = False, use_process_fidelity: bool = False ) -> float: """ Simulate and compute fidelity. Args: controls: Control sequence (n_segments, n_controls) task_params: Task parameters return_trajectory: If True, return (fidelity, trajectory) use_process_fidelity: If True, use average gate fidelity over all input states (important for multi-qubit gates like CNOT!) Returns: fidelity: Achieved fidelity (float) or (fidelity, trajectory) if return_trajectory=True """ sim = self.get_simulator(task_params) if use_process_fidelity and self.d > 2: fidelity = self._compute_average_gate_fidelity(sim, controls) if return_trajectory: rho_final, trajectory = sim.evolve(self.rho0, controls, self.T) return fidelity, trajectory return fidelity else: rho_final, trajectory = sim.evolve(self.rho0, controls, self.T) fidelity = state_fidelity(rho_final, self.target_state) if return_trajectory: return fidelity, trajectory return fidelity def _compute_average_gate_fidelity( self, sim: LindbladSimulator, controls: np.ndarray ) -> float: """ Compute average gate fidelity over all computational basis states. This is the proper fidelity measure for multi-qubit gates! For 2-qubits: Average over |00⟩, |01⟩, |10⟩, |11⟩ Args: sim: LindbladSimulator instance controls: Control sequence Returns: avg_fidelity: Average fidelity over all basis states """ from metaqctrl.quantum.gates import state_fidelity if self.target_unitary is None: print("WARNING: target_unitary not provided. Using approximate fidelity.") print(" Set target_unitary in QuantumEnvironment for accurate process fidelity.") rho_final, _ = sim.evolve(self.rho0, controls, self.T) return state_fidelity(rho_final, self.target_state) fidelities = [] for i in range(self.d): ket_i = np.zeros(self.d, dtype=complex) ket_i[i] = 1.0 rho_i = np.outer(ket_i, ket_i.conj()) # Evolve under controls rho_final, _ = sim.evolve(rho_i, controls, self.T) # Target output: U_target |i⟩ ket_target = self.target_unitary @ ket_i rho_target_i = np.outer(ket_target, ket_target.conj()) # Compute fidelity fid = state_fidelity(rho_final, rho_target_i) fidelities.append(fid) # Average over all input states return float(np.mean(fidelities)) def evaluate_policy( self, policy: torch.nn.Module, task_params: NoiseParameters, device: torch.device = torch.device('cpu') ) -> float: """ Evaluate policy on task. Args: policy: Policy network task_params: Task parameters device: torch device Returns: fidelity: Achieved fidelity """ policy.eval() with torch.no_grad(): # Task features task_features = torch.tensor( task_params.to_array(), dtype=torch.float32, device=device ) # Generate controls controls = policy(task_features) controls_np = controls.cpu().numpy() # Evaluate fidelity = self.evaluate_controls(controls_np, task_params) return fidelity def compute_loss( self, policy: torch.nn.Module, task_params: NoiseParameters, device: torch.device = torch.device('cpu') ) -> torch.Tensor: """ Args: policy: Policy network task_params: Task parameters device: torch device Returns: loss: Loss tensor (gradients only partial) """ # Task features task_features = torch.tensor( task_params.to_array(), dtype=torch.float32, device=device ) # Generate controls controls = policy(task_features) controls_np = controls.detach().cpu().numpy() fidelity = self.evaluate_controls(controls_np, task_params) loss = torch.tensor( 1.0 - fidelity, dtype=torch.float32, device=device, requires_grad=False ) return loss def compute_loss_differentiable( self, policy: torch.nn.Module, task_params: NoiseParameters, device: torch.device = torch.device('cpu'), use_rk4: bool = True, dt: float = 0.01 ) -> torch.Tensor: """ Args: policy: Policy network task_params: Task parameters device: torch device use_rk4: If True, use RK4 integration (more accurate but slower) dt: Integration time step (larger = faster but less accurate) """ task_params_array = task_params.to_array(normalized=True) task_features = torch.as_tensor( task_params_array, dtype=torch.float32, device=device ) controls = policy(task_features) # (n_segments, n_controls) sim = self.get_torch_simulator(task_params, device, dt=dt, use_rk4=use_rk4) rho0 = torch.zeros((self.d, self.d), dtype=torch.complex64, device=device) rho0[0, 0] = 1.0 rho_final = sim(rho0, controls, self.T) # Target state (convert to torch) target_state_torch = numpy_to_torch_complex(self.target_state, device) # Compute fidelity (differentiable) fidelity = self._torch_state_fidelity(rho_final, target_state_torch) # Loss = infidelity (differentiable!) loss = 1.0 - fidelity return loss def _torch_state_fidelity( self, rho: torch.Tensor, sigma: torch.Tensor ) -> torch.Tensor: """Proper quantum fidelity for density matrices (differentiable). Args: rho: Density matrix (d x d) complex tensor sigma: Density matrix (d x d) complex tensor Returns: fidelity: Real-valued fidelity in [0, 1] """ trace_prod = torch.trace(rho @ sigma) fidelity = torch.abs(trace_prod) ** 2 fidelity = torch.clamp(fidelity, 0.0, 1.0) return fidelity def clear_cache(self): """Clear all caches.""" self._L_cache.clear() self._sim_cache.clear() self._torch_sim_cache.clear() def get_cache_stats(self) -> Dict: """Get cache statistics.""" return { 'n_cached_operators': len(self._L_cache), 'n_cached_simulators': len(self._sim_cache), 'n_cached_torch_simulators': len(self._torch_sim_cache), 'cache_size_mb': ( len(str(self._L_cache)) + len(str(self._sim_cache)) + len(str(self._torch_sim_cache)) ) / 1e6 } class BatchedQuantumEnvironment(QuantumEnvironment): """ Batched version for parallel task evaluation. Uses JAX for vectorization. """ def __init__(self, *args, use_jax: bool = True, **kwargs): ## This uses Jax super().__init__(*args, **kwargs) self.use_jax = use_jax if use_jax: try: from metaqctrl.quantum.lindblad import LindbladJAX self.jax_sim = LindbladJAX( self.H0, self.H_controls, n_segments=20, # From config T=self.T ) print("JAX batching enabled") except ImportError: print("JAX not available, falling back to serial") self.use_jax = False def evaluate_controls_batch( self, controls_batch: np.ndarray, task_params_batch: list ) -> np.ndarray: """ Evaluate multiple control sequences in parallel. Args: controls_batch: (batch_size, n_segments, n_controls) task_params_batch: List of NoiseParameters Returns: fidelities: (batch_size,) array of fidelities """ if self.use_jax: pass fidelities = [] for controls, task_params in zip(controls_batch, task_params_batch): fid = self.evaluate_controls(controls, task_params) fidelities.append(fid) return np.array(fidelities) # Helper functions def get_target_state_from_config(config: dict) -> Tuple[np.ndarray, np.ndarray]: """ Get target density matrix and unitary from config. Args: config: Configuration dictionary with 'target_gate' and 'num_qubits' keys Returns: target_state: Target density matrix (d x d) target_unitary: Target unitary gate (d x d) """ from metaqctrl.quantum.gates import TargetGates target_gate_name = config.get('target_gate') num_qubits = config.get('num_qubits') # Get target unitary if target_gate_name == 'hadamard': U_target = TargetGates.hadamard() elif target_gate_name == 'pauli_x': U_target = TargetGates.pauli_x() elif target_gate_name == 'pauli_y': U_target = TargetGates.pauli_y() elif target_gate_name == 'pauli_z': U_target = TargetGates.pauli_z() elif target_gate_name == 'cnot': U_target = TargetGates.cnot() else: raise ValueError(f"Unknown target gate: {target_gate_name}") # Initial state (|0...0⟩) d = 2 ** num_qubits ket_0 = np.zeros(d, dtype=complex) ket_0[0] = 1.0 # Target state: U|0...0⟩ target_ket = U_target @ ket_0 target_state = np.outer(target_ket, target_ket.conj()) return target_state, U_target def create_quantum_environment(config: dict, target_state: np.ndarray = None, target_unitary: np.ndarray = None) -> QuantumEnvironment: """ Create quantum environment from config. Args: config: Configuration dictionary target_state: Target density matrix. If None, will be created from config['target_gate'] target_unitary: Target unitary gate. If None, will be created from config['target_gate'] Returns: env: QuantumEnvironment instance """ from metaqctrl.quantum.noise_adapter import PSDToLindblad2, estimate_qubit_frequency_from_hamiltonian # Get number of qubits from config num_qubits = config.get('num_qubits') # Get target state and unitary if not provided if target_state is None or target_unitary is None: target_state, target_unitary = get_target_state_from_config(config) if num_qubits == 1: # 1-qubit system (original code) sigma_x = np.array([[0, 1], [1, 0]], dtype=complex) sigma_y = np.array([[0, -1j], [1j, 0]], dtype=complex) sigma_z = np.array([[1, 0], [0, -1]], dtype=complex) sigma_p = np.array([[0, 1], [0, 0]], dtype=complex) # System Hamiltonians drift_strength = config.get('drift_strength') H0 = drift_strength * sigma_z H_controls = [sigma_x, sigma_y] # Noise basis operators basis_operators = [sigma_p, sigma_z] else: raise ValueError(f"num_qubits={num_qubits} not supported. Use 1 or 2.") model_types = config.get('model_types') if model_types is None: psd_model = NoisePSDModel(model_type=config.get('psd_model')) else: psd_model = None print(f"INFO: Mixed model mode enabled with models: {model_types}") # Sampling frequencies (control bandwidth) n_segments = config.get('n_segments') T = config.get('horizon') omega_max = n_segments / T omega_sample = np.linspace(0, omega_max, 1000) omega0 = config.get('omega0') if omega0 is None: omega0 = estimate_qubit_frequency_from_hamiltonian(H0) noise_type = config.get('noise_type') sequence = config.get('sequence') Gamma_h = config.get('Gamma_h') psd_to_lindblad = PSDToLindblad2( basis_operators=basis_operators, sampling_freqs=omega_sample, psd_model=psd_model, # Can be None for dynamic model selection T=T, sequence=sequence, omega0=omega0, Gamma_h=Gamma_h ) # Create environment env = QuantumEnvironment( H0=H0, H_controls=H_controls, psd_to_lindblad=psd_to_lindblad, target_state=target_state, T=T, method=config.get('integration_method'), target_unitary=target_unitary ) return env