The key challenge in the noisy intermediate-scale quantum era is finding useful circuits compatible with current device limitations. Variational quantum algorithms (VQAs) offer a potential solution by fixing the circuit architecture and optimizing individual gate parameters in an external loop. However, parameter optimization can become intractable, and the overall performance of the algorithm depends heavily on the initially chosen circuit architecture. Several quantum architecture search (QAS) algorithms have been developed to design useful circuit architectures automatically. In the case of parameter optimization alone, noise effects have been observed to dramatically influence the performance of the optimizer and final outcomes, which is a key line of study. However, the effects of noise on the architecture search, which could be just as critical, are poorly understood. This work addresses this gap by introducing a curriculum-based reinforcement learning QAS (CRLQAS) algorithm designed to tackle challenges in realistic VQA deployment. The algorithm incorporates (i) a 3D architecture encoding and restrictions on environment dynamics to explore the search space of possible circuits efficiently, (ii) an episode halting scheme to steer the agent to find shorter circuits, and (iii) a novel variant of simultaneous perturbation stochastic approximation as an optimizer for faster convergence. To facilitate studies, we developed an optimized simulator for our algorithm, significantly improving computational efficiency in simulating noisy quantum circuits by employing the Pauli-transfer matrix formalism in the Pauli-Liouville basis. Numerical experiments focusing on quantum chemistry tasks demonstrate that CRLQAS outperforms existing QAS algorithms across several metrics in both noiseless and noisy environments.
The key challenge in the noisy intermediate-scale quantum era is finding useful circuits compatible with current device limitations. Variational quantum algorithms (VQAs) offer a potential solution by fixing the circuit architecture and optimizing individual gate parameters in an external loop. However, parameter optimization can become intractable, and the overall performance of the algorithm depends heavily on the initially chosen circuit architecture. Several quantum architecture search (QAS) algorithms have been developed to design useful circuit architectures automatically. In the case of parameter optimization alone, noise effects have been observed to dramatically influence the performance of the optimizer and final outcomes, which is a key line of study. However, the effects of noise on the architecture search, which could be just as critical, are poorly understood. This work addresses this gap by introducing a curriculum-based reinforcement learning QAS (CRLQAS) algorithm designed to tackle challenges in realistic VQA deployment. The algorithm incorporates (i) a 3D architecture encoding and restrictions on environment dynamics to explore the search space of possible circuits efficiently, (ii) an episode halting scheme to steer the agent to find shorter circuits, and (iii) a novel variant of simultaneous perturbation stochastic approximation as an optimizer for faster convergence. To facilitate studies, we developed an optimized simulator for our algorithm, significantly improving computational efficiency in simulating noisy quantum circuits by employing the Pauli-transfer matrix formalism in the Pauli-Liouville basis. Numerical experiments focusing on quantum chemistry tasks demonstrate that CRLQAS outperforms existing QAS algorithms across several metrics in both noiseless and noisy environments.
A significant hurdle in the noisy intermediate-scale quantum (NISQ) era is identifying functional quantum circuits. These circuits must also adhere to the constraints imposed by current quantum hardware limitations. Variational quantum algorithms (VQAs), a class of quantum-classical optimization algorithms, were developed to address these challenges in the currently available quantum devices. However, the overall performance of VQAs depends on the initialization strategy of the variational circuit, the structure of the circuit (also known as ansatz), and the configuration of the cost function. Focusing on the structure of the circuit, in this thesis, we improve the performance of VQAs by automating the search for an optimal structure for the variational circuits using reinforcement learning (RL). Within the thesis, the optimality of a circuit is determined by evaluating its depth, the overall count of gates and parameters, and its accuracy in solving the given problem. The task of automating the search for optimal quantum circuits is known as quantum architecture search (QAS). The majority of research in QAS is primarily focused on a noiseless scenario. Yet, the impact of noise on the QAS remains inadequately explored. In this thesis, we tackle the issue by introducing a tensor-based quantum circuit encoding, restrictions on environment dynamics to explore the search space of possible circuits efficiently, an episode halting scheme to steer the agent to find shorter circuits, a double deep Q-network (DDQN) with an ε-greedy policy for better stability. The numerical experiments on noiseless and noisy quantum hardware show that in dealing with various VQAs, our RL-based QAS outperforms existing QAS. Meanwhile, the methods we propose in the thesis can be readily adapted to address a wide range of other VQAs.
Abstract Variational quantum algorithms (VQAs) are expected to be a path to quantum advantages on noisy intermediate-scale quantum devices. However, both empirical and theoretical results exhibit that the deployed ansatz heavily affects the performance of VQAs such that an ansatz with a larger number of quantum gates enables a stronger expressivity, while the accumulated noise may render a poor trainability. To maximally improve the robustness and trainability of VQAs, here we devise a resource and runtime efficient scheme termed quantum architecture search (QAS). In particular, given a learning task, QAS automatically seeks a near-optimal ansatz (i.e., circuit architecture) to balance benefits and side-effects brought by adding more noisy quantum gates to achieve a good performance. We implement QAS on both the numerical simulator and real quantum hardware, via the IBM cloud, to accomplish data classification and quantum chemistry tasks. In the problems studied, numerical and experimental results show that QAS cannot only alleviate the influence of quantum noise and barren plateaus but also outperforms VQAs with pre-selected ansatze.
Quantum Architecture Search (QAS) is an emerging field aimed at automating the design of quantum circuits for optimal performance. This paper introduces a novel QAS framework employing hybrid quantum reinforcement learning with quantum curriculum learning strategies, enabling learning agents to tackle increasingly complex quantum circuit design tasks. We benchmark four state-of-the-art classical reinforcement learning algorithms (A2C, PPO, DDQN, TD3) against their quantum-enhanced counterparts (QA2C, QPPO, QDDQN, QTD3) for optimizing variational quantum circuits (VQCs). Our approach progressively increases circuit depth and gate complexity during training, leveraging parameterized quantum circuits as function approximations. To improve learning efficiency and stability, all algorithms, both classical and quantum, are augmented with Prioritized Experience Replay (PER). Experimental results show that quantum-enhanced RL significantly outperforms classical methods. In a 2-qubit environment, PERQDDQN achieves a success probability of 0.46 with 3,000 optimal successes, surpassing classical PERDDQN (0.42,2,400). In the more complex 3-qubit setting, PERQDDQN and PERQTD3 reach success probabilities of 0.47, with optimal success counts of 3,800 and 3,600, respectively, outperforming their classical counterparts. Additionally, we apply our QAS-QTN approach to a classification problem, where the optimized quantum circuit achieves an accuracy of 90.33%, outperforming quantum models consisting of random ansatz. This hybrid classical-quantum approach leads to faster convergence and more efficient quantum circuit designs, demonstrating its potential for advancing automated quantum architecture search.
Noisy Intermediate-Scale Quantum (NISQ) devices are constrained by short coherence times and imperfect control, limiting the practical performance of near-term quantum algorithms. While Quantum Architecture Search (QAS) automates circuit design using reinforcement learning, most existing approaches optimize architectures under ideal or fixed average-case noise models. As a result, the discovered circuits often exhibit poor robustness when deployed on realistic hardware subject to noise variability. In this paper, we propose a coevolutionary framework for noise-resistant quantum architecture search. A circuit-designing agent, referred to as the Architect, is trained against an adaptive Hardware-Aware Saboteur (HAS). The HAS models worst-case, yet physically plausible, operating conditions by amplifying backend-derived noise components under a constrained noise amplification budget. The Architect is implemented as a Proximal Policy Optimization agent with a discrete gate alphabet, while the HAS is a separate reinforcement learning agent that selects budget-constrained amplification over single-qubit, two-qubit, and measurement noise channels. Their interaction is mediated by an adversarial environment that stabilizes training via an annealed mixture of nominal and stress-tested performance and a curriculum over the amplification budget. The framework is evaluated on Greenberger–Horne–Zeilinger (GHZ) state preparation for three to five qubits and on small variational quantum eigensolver benchmarks. Compared to a reinforcement learning-based QAS baseline and a hardware-efficient ansatz baseline, the coevolutionary Architect achieves significantly improved robustness under backend-aligned noise amplification and demonstrates stronger generalization to unseen noise families. These results indicate that explicitly training against adaptive, hardware-aligned worst-case noise is an effective strategy for discovering noise-resilient quantum circuits suitable for NISQ-era execution.
Quantum error mitigation techniques are at the heart of quantum hardware implementation, and are the key to performance improvement of the variational quantum learning scheme (VQLS). Although VQLS is partially robust to noise, both empirical and theoretical results exhibit that noise would rapidly deteriorate the performance of most variational quantum algorithms in large-scale problems. Furthermore, VQLS suffers from the barren plateau phenomenon---the gradient generated by the classical optimizer vanishes exponentially with respect to the qubit number. Here we devise a resource and runtime efficient scheme, the quantum architecture search scheme (QAS), to maximally improve the robustness and trainability of VQLS. In particular, given a learning task, QAS actively seeks an optimal circuit architecture to balance benefits and side-effects brought by adding more quantum gates. Specifically, while more quantum gates enable a stronger expressive power of the quantum model, they introduce a larger amount of noise and a more serious barren plateau scenario. Consequently, QAS can effectively suppress the influence of quantum noise and barren plateaus. We implement QAS on both the numerical simulator and real quantum hardware, via the IBM cloud, to accomplish data classification and quantum chemistry tasks. Numerical and experimental results show that QAS significantly outperforms conventional variational quantum algorithms with heuristic circuit architectures. Our work provides practical guidance for developing advanced learning-based quantum error mitigation techniques on near-term quantum devices.
Variational Quantum Algorithms (VQAs) are a promising approach to leverage Noisy Intermediate-Scale Quantum (NISQ) computers. However, choosing optimal quantum circuits that efficiently solve a given VQA problem is a non-trivial task. Quantum Architecture Search (QAS) algorithms enable automatic generation of quantum circuits tailored to the provided problem. Existing QAS approaches typically adapt classical neural architecture search techniques, training machine learning models to sample relevant circuits, but often overlook the inherent quantum nature of the circuits they produce. By reformulating QAS from a quantum perspective, we propose a sampling-free differentiable QAS algorithm that models the search process as the evolution of a quantum mixed state, which emerges from the search space of quantum circuits. The mixed state formulation also enables our method to incorporate generic noise models, for example the depolarizing channel, which cannot be modeled by state vector simulation. We validate our method by finding circuits for state initialization and Hamiltonian optimization tasks, namely the variational quantum eigensolver and the unweighted max-cut problems. We show our approach to be comparable to, if not outperform, existing QAS techniques while requiring significantly fewer quantum simulations during training, and also show improved robustness levels to noise.