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Structure-Agnostic Unitary Learning from Quantum Observable Dynamics with Application to Hamiltonian Identification

Mohamed Berkani

Published Jul 14, 2026• 0 citations
Publisher

Abstract

We present a variational algorithm for learning an unknown quantum unitary from time-series observablemeasurements, with no structural assumption about the target. The core separation: a hardware-efficient parametrisedcircuit learns the evolution operator U via observable matching; Hamiltonian identification follows as classical post-processing via matrix logarithm, when the target happens to be e−iHτ .Three experiments establish the method’s generality. First, a noiseless proof of correctness with exact gradients(L-BFGS-B) achieves MSE 1.61×10−14 and recovers all Hamiltonian coefficients to six decimal places. Second, agate-learning experiment fits CNOT, iSWAP, and a Haar-random SU(4) element — none generated by any fixedHamiltonian — 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’sadaptive moment updates. A four-stage moment-warm curriculum progressively extends the training horizon, convertinga global non-convex problem into a sequence of well-posed local ones

DOI
10.5281/zenodo.21360444

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•Apr 1, 2025•1 citation
We present a variational algorithm for learning an unknown quantum unitary from time-series observablemeasurements, with no structural assumption about the target. The core separation: a hardware-efficient parametrisedcircuit learns the evolution operator U via observable matching; Hamiltonian identification follows as classical post-processing via matrix logarithm, when the target happens to be e−iHτ .Three experiments establish the method’s generality. First, a noiseless proof of correctness with exact gradients(L-BFGS-B) achieves MSE 1.61×10−14 and recovers all Hamiltonian coefficients to six decimal places. Second, agate-learning experiment fits CNOT, iSWAP, and a Haar-random SU(4) element — none generated by any fixedHamiltonian — 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’sadaptive moment updates. A four-stage moment-warm curriculum progressively extends the training horizon, convertinga global non-convex problem into a sequence of well-posed local ones
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.
The Hamiltonian of a quantum system governs the dynamics of the system via the Schrodinger equation. In this paper, the Hamiltonian is reconstructed in the Pauli basis using measurables on random states forming a time series data set. The time propagation is implemented through Trotterization and optimized variationally with gradients computed on the quantum circuit. We validate our output by reproducing the dynamics of unseen observables on a randomly chosen state not used for the optimization. Unlike existing techniques that try and exploit the structure/properties of the Hamiltonian, our scheme is general and provides freedom with regard to what observables or initial states can be used while still remaining efficient with regard to implementation. We extend our protocol to doing quantum state learning where we solve the reverse problem of doing state learning given time series data of observables generated against several Hamiltonian dynamics. We show results on Hamiltonians involving XX, ZZ couplings along with transverse field Ising Hamiltonians and propose an analytical method for the learning of Hamiltonians consisting of generators of the SU (3) group. This paper is likely to pave the way toward using Hamiltonian learning for time series prediction within the context of quantum machine learning algorithms.
We study the problem of Hamiltonian structure learning from real-time evolution: given the ability to applye−iHte^{-\mathrm{i}Ht}e−iHtfor an unknown local HamiltonianH=Σa=1mλaEaH=\Sigma_{a=1}^{m}\lambda_{a}E_{a}H=Σa=1m​λa​Ea​onnnnqubits, the goal is to recoverHHH. This problem is already well-understood under the assumption that the interaction terms,EaE_{a}Ea​, are given, and only the interaction strengths,λa\lambda_{a}λa​, are unknown. But how efficiently can we learn a local Hamiltonian without prior knowledge of its interaction structure? We present a new, general approach to Hamiltonian learning that not only solves the challenging structure learning variant, but also resolves other open questions in the area, all while achieving the gold standard of Heisenberg-limited scaling. In particular, our algorithm recovers the Hamiltonian toε\varepsilonεerror with total evolution timeO(log⁡(n)/ε)\mathcal{O}(\log(n)/\varepsilon)O(log(n)/ε), and has the following appealing properties: 1)It does not need to know the Hamiltonian terms; 2)It works beyond the short-range setting, extending to any HamiltonianHHHwhere the sum of terms interacting with a qubit has bounded norm; 3)It evolves according toHHHin constant timetttincrements, thus achieving constant time resolution. As an application, we can also learn Hamiltonians exhibiting power-law decay up to accuracyε\varepsilonεwith total evolution time beating the standard limit of1/ε21/\varepsilon^{2}1/ε2.
Quantum operations on pure states can be fully represented by unitary matrices. Variational quantum circuits, also known as quantum neural networks, embed data and trainable parameters into gate-based operations and optimize the parameters via gradient descent. The high cost of training and low fidelity of current quantum devices, however, restricts much of quantum machine learning to classical simulation. For few-qubit problems with large datasets, training the matrix elements directly, as is done with weight matrices in classical neural networks, can be faster than decomposing data and parameters into gates. We propose a method that trains matrices directly while maintaining unitarity through a single regularization term added to the loss function. A second training step, circuit alignment, then recovers a gate-based architecture from the resulting soft-unitary. On a five-qubit supervised classification task with 1000 datapoints, this two-step process produces a trained variational circuit in under four minutes, compared to over two hours for direct circuit training, while achieving lower binary cross-entropy loss. In a second experiment, soft-unitaries are embedded in a hybrid quantum-classical network for a reinforcement learning cartpole task, where the hybrid agent outperforms a purely classical baseline of comparable size.
Machine learning is widely believed to be one of the most promising practical applications of quantum computing. Existing quantum machine learning schemes typically employ a quantum-classical hybrid approach that relies crucially on gradients of model parameters. Such an approach lacks provable convergence to global minima and will become infeasible as quantum learning models scale up. Here, we introduce quantum automated learning, where no variational parameter is involved and the training process is converted to quantum state preparation. In particular, we encode training data into unitary operations and iteratively evolve a random initial state under these unitaries and their inverses, with a target-oriented perturbation towards higher prediction accuracy sandwiched in between. Under reasonable assumptions, we rigorously prove that the evolution converges exponentially to the desired state corresponding to the global minimum of the loss function. We show that such a training process can be understood from the perspective of preparing quantum states by imaginary time evolution, where the data-encoded unitaries together with target-oriented perturbations would train the quantum learning model in an automated fashion. We further prove that the quantum automated learning paradigm features good generalization ability with the generalization error upper bounded by the ratio between a logarithmic function of the Hilbert space dimension and the number of training samples. In addition, we carry out extensive numerical simulations on real-life images and quantum data to demonstrate the effectiveness of our approach and validate the assumptions. Our results establish an unconventional quantum learning strategy that is gradient-free with provable and explainable trainability, which would be crucial for large-scale practical applications of quantum computing in machine learning scenarios.
Abstract Machine learning is widely believed to be one of the most promising practical applications of quantum computing. Existing quantum machine learning schemes typically employ a quantum-classical hybrid approach that relies crucially on gradients of model parameters. Such an approach lacks provable convergence to global minima and will become infeasible as quantum learning models scale up. Here, we introduce quantum automated learning, where no variational parameter is involved and the training process is converted to quantum state preparation. In particular, we encode training data into unitary operations and iteratively evolve a random initial state under these unitaries and their inverses, with a target-oriented perturbation towards higher prediction accuracy sandwiched in between. Under reasonable assumptions, we rigorously prove that the evolution converges exponentially to the desired state corresponding to the global minimum of the loss function. We show that such a training process can be understood from the perspective of preparing quantum states by imaginary time evolution, where the data-encoded unitaries together with target-oriented perturbations would train the quantum learning model in an automated fashion. We further prove that the introduced quantum automated learning paradigm features universal representation power and good generalization ability with the generalization error upper bounded by the ratio between a logarithmic function of the Hilbert space dimension and the number of training samples. In addition, we carry out extensive numerical simulations on real-life images and quantum data to demonstrate the effectiveness of our approach and validate the assumptions. Our results establish an unconventional quantum learning strategy that is gradient-free with provable and explainable trainability, which would be crucial for large-scale practical applications of quantum computing in machine learning scenarios.