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arXiv:2501.04636 · Communications Physics

Efficient online quantum circuit learning with no upfront training

Tom O’Leary, Piotr Czarnik, Elijah Pelofske, Andrew T. Sornborger, Michael M. McKerns, Łukasz Cincio

Published Nov 20, 2025• 10 citations
arXivHTMLPDF

Abstract

Abstract Optimization is a promising candidate for studying the utility of variational quantum algorithms (VQAs). However, evaluating cost functions using quantum hardware introduces runtime overheads that limit exploration. Surrogate-based methods can reduce calls to a quantum computer, yet existing approaches require hyperparameter pre-training and have been tested only on small problems. Here, we show that surrogate-based methods can enable successful optimization at scale, without pre-training, by using radial basis function interpolation (RBF) to construct an adaptive, hyperparameter-free surrogate. Using the surrogate as an acquisition function drives hardware queries to the vicinity of the true optima. For 16-qubit random 3-regular Max-Cut instances with the Quantum Approximate Optimization Algorithm (QAOA), our method outperforms state-of-the-art approaches, without considering their upfront training costs. Furthermore, we successfully optimize QAOA circuits for 127-qubit random Ising models on an IBM processor using 10 4 −10 5 measurements. Strong empirical performance demonstrates the promise of automated surrogate-based learning for large-scale VQA applications.

DOI
10.1038/s42005-025-02423-4

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Abstract Optimization is a promising candidate for studying the utility of variational quantum algorithms (VQAs). However, evaluating cost functions using quantum hardware introduces runtime overheads that limit exploration. Surrogate-based methods can reduce calls to a quantum computer, yet existing approaches require hyperparameter pre-training and have been tested only on small problems. Here, we show that surrogate-based methods can enable successful optimization at scale, without pre-training, by using radial basis function interpolation (RBF) to construct an adaptive, hyperparameter-free surrogate. Using the surrogate as an acquisition function drives hardware queries to the vicinity of the true optima. For 16-qubit random 3-regular Max-Cut instances with the Quantum Approximate Optimization Algorithm (QAOA), our method outperforms state-of-the-art approaches, without considering their upfront training costs. Furthermore, we successfully optimize QAOA circuits for 127-qubit random Ising models on an IBM processor using 10 4 −10 5 measurements. Strong empirical performance demonstrates the promise of automated surrogate-based learning for large-scale VQA applications.
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.
Quantum computing is a computational paradigm with the potential to outperform classical methods for a variety of problems. Proposed recently, the Quantum Approximate Optimization Algorithm (QAOA) is considered as one of the leading candidates for demonstrating quantum advantage in the near term. QAOA is a variational hybrid quantum-classical algorithm for approximately solving combinatorial optimization problems. The quality of the solution obtained by QAOA for a given problem instance depends on the performance of the classical optimizer used to optimize the variational parameters. In this paper, we formulate the problem of finding optimal QAOA parameters as a learning task in which the knowledge gained from solving training instances can be leveraged to find high-quality solutions for unseen test instances. To this end, we develop two machine-learning-based approaches. Our first approach adopts a reinforcement learning (RL) framework to learn a policy network to optimize QAOA circuits. Our second approach adopts a kernel density estimation (KDE) technique to learn a generative model of optimal QAOA parameters. In both approaches, the training procedure is performed on small-sized problem instances that can be simulated on a classical computer; yet the learned RL policy and the generative model can be used to efficiently solve larger problems. Extensive simulations using the IBM Qiskit Aer quantum circuit simulator demonstrate that our proposed RL- and KDE-based approaches reduce the optimality gap by factors up to 30.15 when compared with other commonly used off-the-shelf optimizers.
The Quantum Approximate Optimization Algorithm (QAOA) and its variants are leading algorithms to help solve challenging combinatorial optimization problems. QAOA maps these problems to Ising Hamiltonians such that their ground state is the desired solution. Candidate solutions are then drawn from a variational quantum circuit. The performance of QAOA hinges on a set of variational angles. However, finding good angles is an instance-specific and computationally expensive non-convex classical optimization task. Here, we learn the mapping from the problem instance to high-quality QAOA angles. Our learned models replace the per-instance optimization, that we call the solver, with a single forward pass that is several orders of magnitude faster than the solver with a near identical quality. Our models further generalize to unseen topologies such as Barabási-Albert and 2D grid graphs. Experiments on quantum hardware confirm that QAOA samples with angles produced by our open-source models are indistinguishable from solver angles. Crucially, models sensitive to the topology of the problem instance increase the quality of the QAOA angles. Our work amortizes a major bottleneck in QAOA by an up-front data generation and training cost. Importantly, this cost can be amortized over time in settings where many similar problems are optimized on a regular basis, as is often the case in applications for industry.
Abstract We present a new optimization strategy for small-to-intermediate scale variational quantum algorithms (VQAs) on noisy near-term quantum processors which uses a Gaussian process surrogate model equipped with a classically-evaluated quantum kernel. VQAs are typically optimized using gradient-based approaches however these are difficult to implement on current noisy devices, requiring large numbers of objective function evaluations. Our approach shifts this computational burden onto the classical optimizer component of these hybrid algorithms, greatly reducing the number of quantum circuit evaluations required from the quantum processor. We focus on the variational quantum eigensolver (VQE) algorithm and demonstrate numerically that these surrogate models are particularly well suited to the algorithm’s objective function. Next, we apply these models to both noiseless and noisy VQE simulations and show that they exhibit better performance than widely-used classical kernels in terms of final accuracy and convergence speed. Compared to the typically-used stochastic gradient-descent approach to VQAs, our quantum kernel-based approach is found to consistently achieve significantly higher accuracy while requiring less than an order of magnitude fewer quantum circuit executions. We analyze the performance of the quantum kernel-based models in terms of the kernels’ induced feature spaces and explicitly construct their feature maps. Finally, we describe a scheme for approximating the best-performing quantum kernel using a classically-efficient tensor network representation of its input state and so provide a pathway for scaling this strategy to larger systems.
Variational quantum algorithms are a class of techniques intended to be used on near-term quantum computers. The goal of these algorithms is to perform large quantum computations by breaking the problem down into a large number of shallow quantum circuits, complemented by classical optimization and feedback between each circuit execution. One path for improving the performance of these algorithms is to enhance the classical optimization technique. Given the relative ease and abundance of classical computing resources, there is ample opportunity to do so. In this work, we introduce the idea of learning surrogate models for variational circuits using a few experimental measurements, and then performing parameter optimization using these models as opposed to the original data. We demonstrate this idea using a surrogate model based on kernel approximations, through which we reconstruct local patches of variational cost functions using batches of noisy quantum circuit results. Through application to the quantum approximate optimization algorithm and preparation of ground states for molecules, we demonstrate the superiority of surrogate-based optimization over commonly used optimization techniques for variational algorithms.
Variational Quantum Algorithms (VQAs) are a leading approach to exploiting near-term quantum hardware, leveraging parameterized quantum circuits and classical optimization to achieve advantage. Despite their promise, the practical deployment of VQAs is challenged by the difficulty of designing quantum circuit architectures that balance expressivity, trainability, and hardware constraints. Existing evolutionary-based quantum neural architecture search methods address these challenges but suffer from high computational costs due to repeated training of candidate circuits. In this work, we identify a setting in which the Gram matrix of the Quantum Neural Tangent Kernel converges. Building on this observation, we design a zero-shot surrogate model to estimate candidate performance without full training, significantly accelerating the architecture search process. Using this surrogate, we propose MZeQAS, a Monte Carlo Tree Search (MCTS)-based Zero-Shot Quantum Neural Architecture Search framework for VQAs. By integrating proxy-based performance estimation with MCTS exploration, MZeQAS efficiently discovers high-performing architectures. Experimental results demonstrate that MZeQAS outperforms existing approaches in terms of both search efficiency and solution quality, providing a scalable and effective framework for advancing VQA deployment on noisy intermediate-scale quantum devices.