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arXiv:2511.12062

Quantum Amplitude-Amplification Eigensolver: A State-Learning-Assisted Approach beyond Energy-Gradient-Based Heuristics

Kyunghyun Baek, Seungjin Lee, Joonsuk Huh, Dongkeun Lee, Jinhyoung Lee, M. S. Kim, Jeongho Bang

quant-phSubmitted Nov 15, 2025• Announced Nov 18, 2025• 0 citations
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Abstract

Ground-state estimation lies at the heart of a broad range of quantum simulations. Most near-term approaches are cast as variational energy minimization and thus inherit the challenges of problem-specific energy landscapes. We develop the quantum amplitude-amplification eigensolver (QAAE), which departs from the variational paradigm and instead coherently drives a trial state toward the ground state via quantum amplitude amplification. Each amplitude-amplification round interleaves a reflection about the learned trial state with a controlled short-time evolution under a normalized Hamiltonian; an ancilla readout yields an amplitude-amplified pure target state that a state-learning step then re-encodes into an ansatz circuit for the next round -- without evaluating the energy gradients. Under standard assumptions (normalized $\hat{H}$, a nondegenerate ground-state, and a learning update), the ground-state overlap increases monotonically per round and the procedure converges; here, a per-round depth bound in terms of the ansatz depth and Hamiltonian-simulation cost establishes hardware compatibility. Cloud experiments on IBMQ processor verify our amplification mechanism on a two-level Hamiltonian and a two-qubit Ising model, and numerical benchmarks on $\mathrm{H}_2$, $\mathrm{LiH}$, and a $10$-qubit longitudinal-and-transverse-field Ising model show that QAAE integrates with chemistry-inspired and hardware-efficient circuits and can surpass gradient-based VQE in accuracy and stability. These results position QAAE as a variational-free and hardware-compatible route to ground-state estimation for near-term quantum simulation.

Comments
12 pages, 11 figures

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The variational quantum eigensolver (VQE) is a hybrid algorithm that has the potential to provide a quantum advantage in practical chemistry problems that are currently intractable on classical computers. VQE trains parameterized quantum circuits using a classical optimizer to approximate the eigenvalues and eigenstates of a given Hamiltonian. However, VQE faces challenges in task-specific design and machine-specific architecture, particularly when running on noisy quantum devices. This can have a negative impact on its trainability, accuracy, and efficiency, resulting in noisy quantum data. We propose variational denoising, an unsupervised learning method that employs a parameterized quantum neural network to improve the solution of VQE by learning from noisy VQE outputs. Our approach can significantly decrease energy estimation errors and increase fidelities with ground states compared to noisy input data for the H2 , LiH, and BeH2 molecular Hamiltonians and the transverse field Ising model. Surprisingly, it only requires noisy data for training. Variational denoising can be integrated into quantum hardware, increasing its versatility as an end-to-end quantum processing for quantum data. Published by the American Physical Society 2024
The variational quantum eigensolver (VQE) is a hybrid quantum classical algorithm designed for current and near-term quantum devices. Despite its initial success, there is a lack of understanding involving several of its key aspects. There are problems with VQE that forbid a favorable scaling towards quantum advantage. In order to alleviate the problems, we propose and extensively test a quantum annealing inspired heuristic that supplements VQE. The improved VQE enables an efficient initial state-preparation mechanism, in a recursive manner, for a quasidynamical unitary evolution. We conduct an in-depth scaling analysis of finding the ground-state energies with increasing lattice sizes of the Heisenberg model, employing simulations of up to 40 qubits that manipulate the complete state vector. In addition to systematically finding the ground-state energy, we observe that it avoids barren plateaus, escapes local minima, and works with low-depth circuits. For the current devices, we further propose a benchmarking toolkit using a mean-field model and test it on IBM Q devices. Realistic gate execution times estimate a longer computational time to complete the same computation on a fully functional error-free quantum computer than on a quantum computer emulator implemented on a classical computer. However, our proposal can be expected to help accurate estimations of the ground-state energies beyond 50 qubits when the complete state vector can no longer be stored on a classical computer, thus enabling quantum advantage.
Abstract We present Snapshot-QAOA, a variation of the Quantum Approximate Optimization Algorithm (QAOA) that finds approximate minimum energy eigenstates of a large set of quantum Hamiltonians. Traditionally, QAOA targets the task of approximately solving combinatorial optimization problems. Snapshot-QAOA enables a significant expansion of the use case space for QAOA to more general quantum Hamiltonians, where the goal is to approximate the ground-state. Snapshot-QAOA retains the desirable variational-algorithm qualities of QAOA such as a small parameter count and relatively shallow circuit depth. Snapshot-QAOA is thus a better trainable alternative to the (Near Intermediate-Scale Quantum) NISQ-era Variational Quantum Eigensolver (VQE) algorithm, while retaining a significant circuit-depth advantage over the (Quantum Error Corrected) QEC-era Quantum Phase Estimation (QPE) algorithm. Our fundamental approach is inspired by the idea of Trotterization of a continuous-time linear adiabatic anneal schedule. Snapshot-QAOA restricts the QAOA evolution to not phasing out the mixing Hamiltonian completely at the end of the evolution, instead evolving only a partial typical linear QAOA schedule, thus creating a type of snapshot of the typical QAOA evolution. In this way, the cost of the quantum Hamiltonian is encoded by the phase separator to address the diagonal terms in the problem Hamiltonian and by the mixer to address the non-diagonal terms in the problem Hamiltonian. We focus on QAOA with the transverse field mixer, and thus simulations of quantum Hamiltonians that contain single-site Pauli-X terms. By measuring the expectation value of the system in both X and Z-basis, we can estimate the ground-state energy of transverse field quantum Hamiltonians. The accuracy of ground-state energy finding with snapshot-QAOA is evaluated using extensive numerical simulations on a 16 qubit J1-J2 frustrated transverse field Ising model.
The variational quantum eigensolver (VQE) is a hybrid quantum-classical algorithm designed for current and near-term quantum devices. Despite its initial success, there is a lack of understanding involving several of its key aspects. There are problems with VQE that forbid a favourable scaling towards quantum advantage. In order to alleviate the problems, we propose and extensively test a quantum annealing inspired heuristic that supplements VQE. The improved VQE enables an efficient initial state preparation mechanism, in a recursive manner, for a quasi-dynamical unitary evolution. We conduct an in-depth scaling analysis of finding the ground state energies with increasing lattice sizes of the Heisenberg model, employing simulations of up to 404040 qubits that manipulate the complete state vector. For the current devices, we further propose a benchmarking toolkit using a mean-field model and test it on IBM Q devices. The improved VQE avoids barren plateaus, exits local minima, and works with low-depth circuits. Realistic gate execution times estimate a longer computational time to complete the same computation on a fully functional error-free quantum computer than on a quantum computer emulator implemented on a classical computer. However, our proposal can be expected to help accurate estimations of the ground state energies beyond 505050 qubits when the complete state vector can no longer be stored on a classical computer, thus enabling quantum advantage.
Quantum annealing and the variational quantum eigensolver are two promising quantum algorithms to find the ground state of complicated Hamiltonians on near-term quantum devices. However, it is necessary to limit the evolution time or the circuit depth as much as possible since otherwise decoherence will degrade the computation. Even when this is done, there always exists a non-negligible estimation error in the ground state energy. Here we propose a scalable extrapolation approach to mitigate this error. With an appropriate regression, we can significantly improve the estimation accuracy for quantum annealing and variational quantum eigensolver for fixed quantum resources. The inference is achieved by extrapolating the annealing time to infinity or extrapolating the variance to zero. The only additional overhead is an increase in the number of measurements by a constant factor. We verified the validity of our method with the transverse-field Ising model. The method is robust to noise, and the techniques are applicable to other physics problems. Analytic derivations for the quadratic convergence feature of the residual energy in quantum annealing and the linear convergence feature of energy variance are given.
Abstract The variational quantum Eigensolver (VQE) provides a scalable route to molecular ground-state energies on near-term quantum hardware, but its accuracy degrades rapidly as system size grows because hardware-efficient ansätze cannot span the full correlation subspace. We introduce a physics-informed ridge regression correction that is trained on the difference between VQE and Hartree–Fock (HF) energies and applied as a postprocessing step requiring no additional quantum resources. The feature set─the VQE–HF energy gap ΔE, its square ΔE2, the active-space qubit count, the number of active electrons, and two cross-term interactions─captures the dominant drivers of ansatz error in a low-dimensional, interpretable form. The model is benchmarked on H2, H2O, NH3, CH4, C2H6, and CH3OH using the STO-3G basis set and a state vector VQE simulator using a two-layer Ry-CNOT hardware-efficient ansatz. To assess cross-molecule generalizability, the corrected framework is further tested on CO2, N2, and HCN under both untrained and trained conditions. Absolute energy errors fall from a range of 0.02–0.79 Ha (raw VQE) to 0.0007–0.094 Ha after correction, corresponding to improvement factors of 3× to 640× relative to CASCI reference values. Zero-shot generalization tests yield factors of 9–58×, and including molecules in training improves results by a further order of magnitude in several cases. The three extended molecules exhibit improvement factors of 4–6× in untrained settings and 5–6× after training, providing preliminary evidence of transferability across chemically distinct systems. These findings suggest that the VQE–HF energy gap encodes physically transferable information about correlation-energy saturation, and that even the smallest training set can produce practically useful corrections for near-term quantum chemistry.