Variational Quantum Eigensolver (VQE) provides a powerful solution for approximating molecular ground state energies by combining quantum circuits and classical computers. However, estimating probabilistic outcomes on quantum hardware requires repeated measurements (shots), incurring significant costs as accuracy increases. Optimizing shot allocation is thus critical for improving the efficiency of VQE. Current strategies rely heavily on hand-crafted heuristics requiring extensive expert knowledge. This paper proposes a reinforcement learning (RL)-based approach that automatically learns shot assignment policies to minimize total measurement shots while achieving convergence to the minimum of the energy expectation in VQE. The RL agent assigns measurement shots across VQE optimization iterations based on the progress of the optimization. This approach reduces VQE's dependence on static heuristics and human expertise. When the RL-enabled VQE is applied to a small molecule, a shot reduction policy is learned. The policy demonstrates transferability across systems and compatibility with other wavefunction Ansätze. In addition to these specific findings, this work highlights the potential of RL for automatically discovering efficient and scalable quantum optimization strategies.
Variational Quantum Eigensolver (VQE) provides a powerful solution for approximating molecular ground state energies by combining quantum circuits and classical computers. However, estimating probabilistic outcomes on quantum hardware requires repeated measurements (shots), incurring significant costs as accuracy increases. Optimizing shot allocation is thus critical for improving the efficiency of VQE. Current strategies rely heavily on hand-crafted heuristics requiring extensive expert knowledge. This paper proposes a reinforcement learning (RL)-based approach that automatically learns shot assignment policies to minimize total measurement shots while achieving convergence to the minimum of the energy expectation in VQE. The RL agent assigns measurement shots across VQE optimization iterations based on the progress of the optimization. This approach reduces VQE's dependence on static heuristics and human expertise. When the RL-enabled VQE is applied to a small molecule, a shot reduction policy is learned. The policy demonstrates transferability across systems and compatibility with other wavefunction Ansätze. In addition to these specific findings, this work highlights the potential of RL for automatically discovering efficient and scalable quantum optimization strategies.
Abstract The adaptive variational quantum eigensolver (ADAPT-VQE) is a promising approach for quantum simulation in the noisy intermediate-scale quantum era, offering advantages over traditional VQE methods by reducing circuit depth and mitigating challenges in classical optimisation. Although ADAPT-VQE can require fewer total measurements than fixed ansätze for matched precision, the combined cost of repeated energy and gradient evaluations still leads to a substantial measurement overhead in practice, motivating strategies to reduce it further. In this work, we study two complementary strategies to reduce this cost using only standard projective Pauli measurements. First, we apply variance-based shot allocation (variance-minimised shot assignment and variance-preserved shot reduction (VPSR)) to both Hamiltonian energy and operator-gradient measurements, extending techniques previously studied only for energy estimation in standard VQE. VPSR achieves shot reductions of up to 43% for H 2 and 51% for LiH relative to uniform allocation while maintaining chemical accuracy. Second, we introduce a Pauli-measurement reuse protocol that stores outcomes from VQE optimisation and reuses them for gradient evaluation in the next ADAPT iteration. Across six molecular benchmarks (4–14 qubits), measurement reuse yields only marginal savings confined to the smallest systems and is effectively negligible for larger sizes, pivot-based grouping alone provides the dominant reduction and should be considered the practical baseline. These results characterise the interplay between shot allocation, measurement grouping, and cross-iteration reuse, offering practical guidance on when each strategy is most beneficial.
Variational quantum eigensolvers (VQEs) show promise for tackling complex quantum chemistry challenges and realizing quantum advantages. However, in VQE, the measurement step encounters difficulties due to errors in objective function evaluation, e.g., the energy of a quantum state. While increasing the number of measurement shots can mitigate measurement errors, this approach leads to higher costs. Strategies for shot assignment have been investigated, allowing for the allocation of varying shot numbers to different Hamiltonian terms and reducing measurement variance through term-specific insights. In this paper, we introduce a dynamic approach, the Variance-Preserved Shot Reduction (VPSR) method. This technique strives to minimize the total number of measurement shots while preserving the variance of measurements throughout the VQE process. Our numerical experiments on H 2 and LiH molecular ground states demonstrate the effectiveness of VPSR in achieving VQE convergence with a notably lower shot count.
Recursive QAOA (RQAOA) solves combinatorial optimization problems by using shallow quantum circuits to estimate pairwise correlations and recursively eliminate variables until a classical solver can handle the residual instance. Each elimination step requires measurement shots, and the total shot cost grows with the number of recursive stages. On near-term quantum devices, increasing shot counts can translate directly into greater exposure to hardware-level noise sources such as readout errors and decoherence, making shot-efficient execution not merely a cost-reduction measure but a factor with direct implications for solution reliability. While shot reduction has been studied broadly across NISQ algorithms, step-wise measurement control inside the recursive loop of RQAOA has received little attention. We formulate this step-wise allocation as a sequential decision problem and propose two strategies for depth-1 RQAOA on weighted Max-Cut instances. A hand-crafted heuristic assigns shots based on local indicators of step difficulty, and a tabular Double Q-learning agent learns a residual policy that adjusts this baseline under a Lagrangian-constrained objective. Both methods are evaluated under a fixed-cap fairness protocol that equalizes the per-step budget across all strategies, and the elimination rule itself is kept unchanged so that the contribution of adaptive measurement control can be isolated. On a diverse set of weighted graph instances spanning a range of sizes and structures, the heuristic reduces total shots by approximately 23% relative to uniform allocation, and the RL policy achieves a 36% reduction with a lower effective shots per success ratio than both baselines. The improvement persists on problem sizes not seen during training, suggesting that reinforcement learning can discover efficient, instance-adaptive measurement strategies in recursive quantum optimization.
Quantum computing offers a promising paradigm for electromagnetic eigenmode analysis, enabling compact representations of complex field interactions and potential exponential speedup over classical numerical solvers. Recent efforts have applied variational quantum eigensolver (VQE) based methods to compute waveguide modes, demonstrating the feasibility of simulating TE and TM field distributions on noisy intermediate-scale quantum (NISQ) hardware. However, these studies typically employ manually designed, fixed-depth parameterized quantum circuits and uniform measurement-shot strategies, resulting in excessive quantum resource consumption, limited circuit expressivity, and reduced robustness under realistic noise conditions. To address these limitations, we propose an architecture and shot adaptive subspace variational quantum eigensolver for efficient microwave waveguide eigenmode simulation on NISQ devices. The proposed framework integrates a reinforcement learning (RL) based circuit design strategy and an adaptive shot allocation mechanism to jointly reduce quantum resource overhead. Specifically, the RL agent autonomously explores the quantum circuit space to generate hardware-efficient parameterized quantum circuits, while the adaptive measurement scheme allocates sampling resources according to Hamiltonian term weights. Numerical experiments on three- and five-qubit systems demonstrate that the proposed framework achieves accurate estimation of TE and TM mode eigenvalues, with a minimum absolute error down to 10−8 and reconstructed field distributions under noiseless conditions in excellent agreement with classical electromagnetic solutions.
Variational quantum algorithms (VQAs) are key enablers of practical computations on near-term quantum computing hardware. However, gate-based ansatz suffer from decoherence and control errors, limiting scalability. Pulse-level approaches, such as control variational quantum eigen solver (ctrl-VQE), address these challenges by directly optimizing analog control fields and enabling time-optimal state preparation. Building on this paradigm, we present a reinforcement-learning (RL) framework that autonomously discovers high-fidelity, time-efficient control pulses. Using a hydrogen dimer testbed, our RL agent achieves state-fidelity above 0.995 and ground state energy errors near 0.005 Hartree, demonstrating the promise of AI-driven, hardware-efficient quantum algorithms.
Quantum computing exploits basic quantum phenomena such as state superposition and entanglement to perform computations. The Quantum Approximate Optimization Algorithm (QAOA) is arguably one of the leading quantum algorithms that can outperform classical state-of-the-art methods in the near term. QAOA is a hybrid quantum-classical algorithm that combines a parameterized quantum state evolution with a classical optimization routine to approximately solve combinatorial problems. The quality of the solution obtained by QAOA within a fixed budget of calls to the quantum computer depends on the performance of the classical optimization routine used to optimize the variational parameters. In this work, we propose an approach based on reinforcement learning (RL) to train a policy network that can be used to quickly find high-quality variational parameters for unseen combinatorial problem instances. The RL agent is trained on small problem instances which can be simulated on a classical computer, yet the learned RL policy is generalizable and can be used to efficiently solve larger instances. Extensive simulations using the IBM Qiskit Aer quantum circuit simulator demonstrate that our trained RL policy can reduce the optimality gap by a factor up to 8.61 compared with other off-the-shelf optimizers tested.