The advent of Noisy Intermediate-Scale Quantum (NISQ) devices provides crucial promise for the development of quantum algorithms. Variational quantum algorithms have emerged as one of the best hopes to utilize NISQ devices. Among these is the famous Variational Quantum Eigensolver (VQE), where one trains a parameterized and fixed quantum circuit (or an ansatz) to accomplish the task. However, VQE also suffers from some serious challenges, which are training difficulty and accuracy reduction due to deep quantum circuit and hardware noise. To be motivated by these issues, we propose a runtime and resource efficient scheme, monto-carlo tree (MCT) search based quantum circuit architecture optimization, where the ansatz is built in the variable form. Our approach first models the search space with a MCT and regards it as a supernet, where we make use of layers dependence to reduce the size of the search space . Second, a two-stage scheme is proposed for the search space training where weight sharing and warm-up strategies are employed to avoid huge computation cost. Training results are stored in nodes of the MCT for future decisions and a hierarchical node selection is presented to obtain an optimal ansatz. As a proof of principle, we carry out a series of numerical experiments for condensed matter and quantum chemistry in the quantum simulator with and without noise. Consequently, our scheme can be efficient to mitigate trainability and accuracy issues by minimizing the ansatz depth and the number of entanglement gates.
The advent of Noisy Intermediate-Scale Quantum (NISQ) devices provides crucial promise for the development of quantum algorithms. Variational quantum algorithms have emerged as one of the best hopes to utilize NISQ devices. Among these is the famous Variational Quantum Eigensolver (VQE), where one trains a parameterized and fixed quantum circuit (or an ansatz) to accomplish the task. However, VQE also suffers from some serious challenges, which are training difficulty and accuracy reduction due to deep quantum circuit and hardware noise. To be motivated by these issues, we propose a runtime and resource efficient scheme, monto-carlo tree (MCT) search based quantum circuit architecture optimization, where the ansatz is built in the variable form. Our approach first models the search space with a MCT and regards it as a supernet, where we make use of layers dependence to reduce the size of the search space . Second, a two-stage scheme is proposed for the search space training where weight sharing and warm-up strategies are employed to avoid huge computation cost. Training results are stored in nodes of the MCT for future decisions and a hierarchical node selection is presented to obtain an optimal ansatz. As a proof of principle, we carry out a series of numerical experiments for condensed matter and quantum chemistry in the quantum simulator with and without noise. Consequently, our scheme can be efficient to mitigate trainability and accuracy issues by minimizing the ansatz depth and the number of entanglement gates.
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.
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.
Variational Quantum Algorithms (VQAs) are central to the utility of Noisy Intermediate-Scale Quantum (NISQ) devices, but their performance is critically dependent on the design of the parameterized quantum circuit (PQC) ansatz. Manual design of these circuits is a complex, non-trivial task requiring significant expertise. To address this, Quantum Architecture Search (QAS) has emerged to automate the discovery of optimal circuit structures. However, many QAS methods incur substantial computational costs by requiring full training of candidate circuits. In this paper, we introduce QAS via iterative elimination, a novel framework that efficiently identifies high-performing circuits. Our method begins with a large, randomly generated population of circuits and iteratively prunes this set based on a composite score that evaluates both immediate performance and trainability. We introduce a dynamic weighting scheme that initially prioritizes trainability to avoid barren plateaus and gradually shifts focus to performance as the search progresses. We validate our approach on Variational Quantum Eigensolver (VQE) tasks for the 6-qubit Transverse Field Ising Model and the 5-qubit Heisenberg model. Experimental results show that our method, particularly with the dynamic weighting, discovers circuits that are competitive with those found by state-of-the-art training-free QAS methods, demonstrating a powerful balance between search efficiency and solution quality.
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.
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.
Quantum noise is the key challenge in Noisy Intermediate-Scale Quantum (NISQ) computers. Previous work for mitigating noise has primarily focused on gate-level or pulse-level noise-adaptive compilation. However, limited research has explored a higher level of optimization by making the quantum circuits themselves resilient to noise.In this paper, we propose QuantumNAS, a comprehensive framework for noise-adaptive co-search of the variational circuit and qubit mapping. Variational quantum circuits are a promising approach for constructing quantum neural networks for machine learning and variational ansatzes for quantum simulation. However, finding the best variational circuit and its optimal parameters is challenging due to the large design space and parameter training cost. We propose to decouple the circuit search from parameter training by introducing a novel SuperCircuit. The SuperCircuit is constructed with multiple layers of pre-defined parameterized gates (e.g., U3 and CU3) and trained by iteratively sampling and updating the parameter subsets (SubCircuits) of it. It provides an accurate estimation of SubCircuits performance trained from scratch. Then we perform an evolutionary co-search of SubCircuit and its qubit mapping. The SubCircuit performance is estimated with parameters inherited from SuperCircuit and simulated with real device noise models. Finally, we perform iterative gate pruning and finetuning to remove redundant gates in a fine-grained manner.Extensively evaluated with 12 quantum machine learning (QML) and variational quantum eigensolver (VQE) benchmarks on 14 quantum computers, QuantumNAS significantly outperforms noise-unaware search, human, random, and existing noise-adaptive qubit mapping baselines. For QML tasks, QuantumNAS is the first to demonstrate over 95% 2-class, 85% 4-class, and 32% 10-class classification accuracy on real quantum computers. It also achieves the lowest eigenvalue for VQE tasks on H2, H2O, LiH, CH4, BeH2compared with UCCSD baselines. We also open-source the TorchQuantum library for fast training of parameterized quantum circuits to facilitate future research.