A QNN based framework for black box Hamiltonian learning and quantum system emulation using full density matrix trajectory learning, which establishes a data-driven pathway from black box quantum system identification to physical quantum emulation, with potential applications in quantum digital twin modeling.
Abstract
Accurate identification of unknown quantum systems is essential for quantum computing, sensing, and control because the Hamiltonian governs quantum state evolution. This work proposes a QNN based framework for black box Hamiltonian learning and quantum system emulation using full density matrix trajectory learning. Unlike approaches based only on final states or selected observables, the method exploits the complete temporal evolution of the density matrix under Lindblad dynamics. A synthetic dataset of physically admissible Hamiltonians and dissipation parameters is generated to emulate experimental measurements. The QNN learns a nonlinear mapping from control inputs to a 32-dimensional Hamiltonian coefficient vector, enabling reconstruction and differentiable emulation of the unknown system. Chirped excitation and randomized initial quantum states are incorporated to improve robustness and provide richer dynamical information. Performance is evaluated using trajectory density loss, quantum-state fidelity, and trace distance. Randomized initialization improves state-level reconstruction, increasing fidelity to 0.929 for the single qubit benchmark and 0.787 for the unknown system, while reducing trace distance to 0.124 and 0.316, respectively. In contrast, chirped excitation primarily improves optimization by accelerating convergence and reducing trajectory density loss. Finally, the learned Hamiltonian is mapped onto a physical two qubit bus resonator architecture in the dispersive regime, yielding key circuit parameters including transmon capacitances, Josephson inductances, qubit separation, and bus-resonator length. The framework therefore establishes a data-driven pathway from black box quantum system identification to physical quantum emulation, with potential applications in quantum digital twin modeling.
We introduce Coherent Quantum Learning (CQL), a training framework for quantum learning models in which the model parameters are quantum degrees of freedom evolved under a Hamiltonian that encodes the loss function. Current quantum machine learning retains classical optimization: parameters are updated by a classical outer loop using gradient estimates from measurements, and quantum coherence has no role in the training dynamics, just as in any classical treatment of the same problem. In the quantum case, a parameter register initialized in superposition evolves unitarily, and probability amplitude concentrates near low-loss configurations through interference, without gradient computation or classical feedback. We give an explicit construction using block encodings and Hamiltonian simulation, applicable to arbitrary parameterized circuits. Numerical experiments on binary classification and interferometric phase estimation confirm that the evolved distribution peaks at the optimal parameters, matching gradient-based performance. The construction is compatible in principle with fault-tolerant implementations and extends to batched training via sequential Hamiltonian evolution.
Ignacio B. Acedo, Javier Gonzalez-Conde, Pablo Rodriguez-Grasa et al.· 0 citations
Quantum algorithms based on linear-system approaches for solving differential equations demand qubit and precision resources beyond near-term capabilities. To address these challenges, this work proposes a physics-informed quantum machine learning (PIQML) framework with hard constraint embedding, specifically designed for NISQ era. Within this framework, parameterized quantum circuits serve as machine learning models, where the input variable is encoded into a high-dimensional feature space via a Fourier feature map. Subsequently, to eliminate approximation errors in critical physical conditions, the solution is constructed through a rigorously designed function mapper that analytically enforces initial conditions as hard constraints. Crucially, we compute derivatives with respect to the input variable using the parameter-shift rule---a quantum native gradient evaluation technique that avoids classical discretization. Unlike generic loss functions that target abstract data patterns, our loss function focuses on the differential equation residual and reference data. This design ensures that the trained model not only approximates the data but also intrinsically satisfies the physical constraint expressed by the DE itself. Our method is validated on several differential equations, including highly oscillatory ones, demonstrating its capability to tackle challenging nonlinear dynamics. Results demonstrate that our quantum model successfully learns the solution, showing close agreement with a high-precision classical numerical benchmark.
We present a variational algorithm for learning an unknown quantum unitary from time-series observable measurements, with no structural assumption about the target. The core separation: a hardware-efficient parametrised circuit learns the evolution operator U via observable matching; Hamiltonian identification follows as classical post-processing via matrix logarithm, when the target happens to be exp(-iH*tau). Three experiments establish the method's generality. First, a noiseless proof of correctness with exact gradients (L-BFGS-B) achieves MSE 1.61e-14 and recovers all Hamiltonian coefficients to six decimal places. Second, a gate-learning experiment fits CNOT, iSWAP, and a Haar-random SU(4) element -- none generated by any fixed Hamiltonian -- all to process fidelity 1.000000, confirming the method does not rely on Trotterisation structure. Third, quantum deployment via SPSA-Adam under Qiskit Aer depolarising noise (p1=0.001, p2=0.01, Nshots=1024) recovers all three Ising Hamiltonian terms with errors below 8%. The optimiser, SPSA-Adam, combines SPSA's hardware-efficient two-point gradient estimation with Adam's adaptive moment updates. A four-stage moment-warm curriculum progressively extends the training horizon, converting a global non-convex problem into a sequence of well-posed local ones.
Coupling between a quantum system and its environment causes decoherence by transferring information from the system to environmental degrees of freedom. When discretized in time, such interactions can be interpreted as sequences of weak measurements that provide an effective model of noisy quantum dynamics. Motivated by this picture, we propose an AI-assisted error-mitigation framework for quantum diffusion processes generated by sequential local weak measurements. The forward process progressively erases information from the input state through weak measurements performed in randomly selected Pauli bases, producing basis-dependent local dephasing and locally depolarizing dynamics on average. Machine-learning models are trained on exact synthetic density matrices to learn a channel- and distribution-specific denoising map and estimate the corresponding pre-noise state. We benchmark the approach on single-qubit states and separable and entangled multi-qubit registers. We also study distribution-dependent local-to-global reconstruction, in which local reduced density matrices are used to reconstruct the global state. This experimentally motivated setting relies on locally accessible information and is therefore compatible with noisy and distributed quantum systems. More broadly, the framework provides a hybrid classical-quantum approach for approximating non-unitary dynamics and mitigating coherence loss.
Yuval Idan, Ofek Nourian, E. Mentovich et al.· 0 citations
Quantum simulation of open quantum systems in the noisy intermediate-scale quantum (NISQ) era is hindered by the non-unitary nature of dissipative dynamics and the limited quantum resources available on near-term quantum processors. In this work, we propose a resource-efficient algorithm for simulating Lindbladian dynamics on NISQ devices. For open quantum systems with Pauli dissipations, we first derive a compact and stable mixed-unitary adjoint channel that approximates the target dissipative dynamics and enables ancilla-free implementation through trajectory sampling. To further reduce the circuit depth required for implementing the sampled trajectories, we introduce an adaptive variational quantum trajectory compression framework. In this framework, a depth-adaptive parameterized quantum circuit is trained to approximate repeated Trotterized Hamiltonian simulation operators, which are then used to replace repeated unitary segments appearing in the sampled trajectories. Importantly, the training procedure can also be performed without auxiliary qubits. Numerical simulations of the dissipative quantum $XY$ model demonstrate the accuracy and resource efficiency of the proposed algorithm. Our results provide a practical route toward ancilla-free and depth-reduced simulation of open quantum systems on near-term quantum hardware.
Huan-Yu Liu, Cheng Xue, Yun-Jie Wang et al.· 0 citations
Quantum Phase Estimation (QPE) is a foundational algorithm for molecular ground-state energy estimation, but its deep circuit requirements make direct hardware execution impractical on Noisy Intermediate-Scale Quantum (NISQ) devices. We present an analytically grounded variational surrogate framework in which a shallow Variational Quantum Circuit (VQC) is trained to reproduce the QPE measurement distribution without any quantum circuit simulation. The training target is computed entirely classically via the Dirichlet kernel, evaluated directly from the Full Configuration Interaction (FCI) ground-state energy, the ancilla qubit count, and the time evolution parameter, eliminating the exponentially scaling simulation bottleneck of prior surrogate approaches. We apply this framework to the hydrogen molecule (H$_2$) with a symmetry-tapered Hamiltonian, conducting a four-stage experimental investigation on IBM Quantum hardware. Stage 1 compares linear and full entangler topologies for the $R_Y$-$R_Z$-$CZ$ ansatz, with and without XpXm Dynamical Decoupling (DD), across four distributional metrics (Hellinger distance, fidelity error, total variation distance, Jensen-Shannon divergence), identifying the linear entangler as optimal. Stage 2 varies VQC layers ($p=1$ to $5$) for the linear-entangler ansatz, identifying single-layer depth as optimal under hardware noise. Stage 3 applies this configuration to the reduced $R_Y$-$CZ$ ansatz, comparing ideal and noisy simulator-trained parameters. A supplementary noise analysis at $p \in \{8,64\}$ characterizes the depth-dependent interplay between circuit depth and DD effectiveness. The framework enables faithful QPE mimicry using a linearly scaling VQC, recovering the ground-state energy within the chemical accuracy threshold (1 kcal/mol), constituting a scalable, hardware-efficient paradigm for QPE-based molecular energy estimation on NISQ devices.
Mousumi Kundu, A. Patra, V. AnuragK.S. et al.· arXiv.org· 0 citations
We use cookies to run the site and, with your consent, for analytics and to show ads.
See our Cookie Policy.
