Quantum Architecture Search

Differentiable quantum architecture search (DQAS) is a promising framework for the automated design of quantum circuits, particularly for variational quantum optimization algorithms. However, its practical deployment on quantum hardware is limited by the large number of circuit measurements required during optimization, making hardware execution costly. In this work, we show that for a broad class of combinatorial optimization problems and commonly used rotational gate parameterizations, the measurement cost of DQAS can be significantly reduced without changing the optimization objective. We derive the proposed measurement reduction scheme theoretically and validate it experimentally on 3-SAT and MaxCut benchmark problems. Our approach reduces the requested gradient measurement cost by about 39 to 41% while introducing only negligible classical post-processing overhead, lowering the practical cost of executing DQAS on quantum hardware.

Hybrid quantum classical neural networks integrate parameterized quantum circuits (PQCs) with established deep learning architectures, but their performance depends strongly on the choice of quantum circuit architecture, a choice that remains largely manual. Most existing approaches rely on hand-designed or fixed circuit ansätze, requiring circuit structure, gate composition, and qubit connectivity to be specified in advance with no guarantee that they suit the task. This limitation is especially acute in image classification, where quantum circuits must transform features extracted by classical networks while remaining compact enough for practical training, requirements that generic, task-agnostic ansätze are unlikely to satisfy simultaneously. We extend EXAQC, an evolutionary framework for automated quantum circuit discovery, to image classification. EXAQC evolves PQCs as intermediate processing modules while retaining classical feature-extraction and prediction layers. On MNIST, Fashion-MNIST, and CIFAR-10, EXAQC achieves 98.42%, 90.62%, and 85.47% accuracy, respectively, while using comparable gate counts to other quantum architecture-search methods. Against classical networks, evolved hybrid models maintain comparable accuracy with substantially fewer trainable parameters, reaching 85.68% on CIFAR-10 with over 25$\times$ fewer parameters than a 10-layer CNN. Encoding choice also matters: rotation-based encodings (RX, RY, U3) outperform amplitude encoding by 22-25 points on CIFAR-10. These results demonstrate that automated circuit discovery yields compact quantum modules that can replace larger classical components in vision architectures while retaining competitive accuracy.

Reinforcement learning (RL) can automate quantum architecture search, but its scalability is limited when useful circuit trajectories become rare in the rapidly expanding search space. Existing replay mechanisms reuse observed transitions; the proposed learned model produces additional predicted one step transitions from real state-action seeds. Here we introduce GenQAS, a tensor network-guided RL framework that combines a fixed matrix product state warm-start with prioritized generative replay. A learned local transition model generates synthetic circuit transitions on demand and mixes them with real experience during Double Deep Q-Network updates. Under a random exploration analysis, near ground state circuits occupy a rapidly shrinking region of the accessible state space. We investigate whether real data anchored synthetic replay can improve the effective training signal in this regime. Across chemical Hamiltonian benchmarks from 6 to 12 qubits, GenQAS improves fixed-budget success probability and identifies compact circuits at competitive energy error. At 12 qubits, it improves final success probability by up to $7.0\times$ over passive replay. On a 15-qubit transverse field Ising model, GenQAS increases success probability from $12\%$ to $21\%$. In a noisy 6-qubit BeH$_2$ transfer experiment, generative replay reduces the steps to chemical accuracy by $92.7\%$. These results show that generative replay can mitigate sample starvation in quantum architecture search and support more resource efficient circuit discovery.

Reinforcement-learning-based quantum architecture search (RL-QAS) repeatedly optimizes a variational quantum eigensolver (VQE) after extending a circuit, although circuit construction and action legality are deterministic and known. We introduce DreamQAS, a model-based RL framework that preserves these exact circuit dynamics and learns only the expensive post-VQE feedback. A recurrent randomized-prior ensemble predicts an oracle-free score relative to an empirical energy frontier and supports multi-step imagined policy learning over explicit legal circuits. Ranking-based activation, uncertainty-aware pessimism and truncation, and selective real-VQE verification form a reliability-controlled learning loop. Under a common 15,000-episode budget and frozen evaluation for the RL methods, DreamQAS has the lowest mean frozen-policy energy error on four of five molecular tasks and the second-lowest on one. At fine-error targets reached by all seeds of both methods, it uses 1.6x to 2.0x fewer real VQE calls on four tasks and 10.6x fewer on BeH2-8q. Counterfactual action-ranking utility increases across all five tasks, with a mean increase of 0.346 and a 95 percent confidence interval of [0.185, 0.507], while direct greedy and beam use of the same model does not recover the gains of imagined policy learning. Ensemble disagreement also improves risk-coverage over random rejection on all three probed tasks. These results establish a world-model design for QAS whose value lies in decision-useful feedback rather than exact energy prediction.

In this work, a quantum architecture search framework for approximate quantum state preparation (QSP) is proposed. QSP is a challenging task, since the search space grows exponentially with the number of qubits, making the identification of the optimal circuit non-trivial. To address this problem, deep reinforcement learning is employed through an agent based on proximal policy optimization. The objective of the agent is to identify the best possible approximation of the target state while simultaneously minimizing the number of gates used. At each step, the agent appends a new gate to the circuit and recomputes the fidelity between the approximated state and the target states. Various experiments have been performed from 2 to 5 qubits. Both predefined states, such as Bell, GHZ, W, and Dicke states, and completely random states are considered. The proposed framework is able to achieve approximation errors of $10^{-14}$.

Quantum reservoir computing (QRC) uses fixed quantum dynamics as a high-dimensional temporal feature map and trains only a lightweight classical readout. QRC is attractive for near-term quantum machine learning, but its performance depends strongly on architecture choices such as input encoding, reservoir depth, entanglement topology, measurement features, state-reset policy, feature construction, and readout regularization. We introduce \method, a simulator-based benchmark that formulates QRC design as constrained black-box architecture search and evaluates whether large language models can act as proposal controllers for this search problem. The benchmark compares five policies under identical evaluation budgets: random search, evolutionary search, Bayesian/TPE optimization, a feedback-based LLM agent, and \hybrid, which combines LLM proposals with memory, mutation, crossover, duplicate avoidance, and exploration. On NARMA10, Mackey-Glass forecasting, and temporal parity, \hybrid{} is the most consistent policy: it ranks first on NARMA10 and temporal parity and second on Mackey-Glass, narrowly behind evolutionary search. Under a 25-evaluation budget and three seeds, \hybrid{} improves over random search on all tasks, including a 23.6% relative reduction in Mackey-Glass error. The results do not show that LLMs are universal QRC optimizers; rather, they show that generative models can be useful high-level controllers when embedded inside validated, reproducible hybrid search loops.

We propose a unified meta-decoding framework for quantum error correction that learns syndrome-to-recovery mappings across multiple stabilizer codes and noise settings, without requiring separate decoders for each configuration. The benchmark includes FiveQubit, Steane, Planar3x3, and Planar5x5 codes, four noise families, and five evaluation regimes: interpolation, unseen-p transfer, unseen-noise transfer, few-shot unseen-code adaptation, and few-shot held-out-size adaptation. We compare a classical Meta-MLP teacher-trained baseline with variational quantum circuit (VQC) meta-decoders selected through hardware-aware quantum architecture search over qubit count, circuit depth, and entangling topology. The Meta-MLP achieves teacher-label accuracies of 0.9993, 0.9118, 0.9342, 0.6304, and 0.7548 across the five regimes, while the hardware-aware VQC achieves 0.9400, 0.8495, 0.8415, 0.5678, and 0.7143. However, logical-level evaluation shows that high teacher-label accuracy alone is insufficient in the most challenging Planar5x5 setting. During interpolation, the raw logical-failure ratios relative to the teacher are 12.08 and 25.91 for the Meta-MLP and VQC, respectively, whereas confidence-gated fallback reduces them to 1.71 and 1.11. These results support confidence-aware selective recovery rather than unconditional teacher replacement.

Quantum Architecture Search (QAS) automates the design of parameterized quantum circuits for variational quantum algorithms, yet existing benchmarks organize instances by molecular identity or qubit count -- criteria agnostic to Hamiltonian structure -- and rely solely on energy accuracy, which cannot detect structural failures such as over-parameterization on near-product ground states. We introduce HamQASBench, a Hamiltonian-informed diagnostic benchmark organizing 11 molecules into five structural tiers via fingerprints derived from the Pauli operator basis, computational basis representation, and ground-state entanglement. A post-hoc critical-structure extraction procedure identifies minimal circuits consistent with each tier's requirements, complementing energy-based evaluation with per-qubit entanglement analysis and pairwise state fidelity. Benchmarking five QAS methods across four paradigms reveals failure modes invisible to conventional metrics: over-parameterization in the minimalism regime, eigenstate commitment under degeneracy, a representation bottleneck in strongly correlated systems, topology-induced routing failure, and circuit search space growth as a scalability bottleneck.

Photonic quantum computing is a promising platform for scalable quantum machine learning, but designing effective hybrid architectures remains challenging under hardware and optimization constraints. Existing approaches rely on manually tuned architectures that fail to account for the collaboration between classical preprocessing, phase encoding, and photonic circuit structure, limiting both accuracy and hardware compatibility. In this paper, we propose a neural architecture search framework for hybrid photonic quantum-classical models that combines genetic algorithm-based search with learnable quantum phase encoding to systematically explore the joint design space of classical and quantum components. Our framework encodes 19 hyperparameters across six gene groups and evolves a population of hybrid architectures using group-based crossover, per-gene mutation, and elitism, evaluating each candidate on a short training budget before full retraining of the best found design. We evaluate our framework on two image classification benchmarks, Digits and MNIST, achieving final validation accuracies of 99.44% and 98.78%, respectively, with first-principles execution time estimates on the Quandela Ascella photonic QPU projecting single-image inference at 67 ms (Digits) and 149 ms (MNIST). Our quantum contribution analysis further shows that the photonic layer extracts non-redundant features orthogonal to the classical pathway, providing a measurable accuracy advantage over classical-only baselines. Our results demonstrate that automated architecture search is both practical and impactful for hybrid photonic systems, opening the way for systematic design space exploration of quantum AI on photonic devices.

Hybrid quantum-classical neural networks (HQNNs) are emerging as a practical approach for quantum machine learning in the noisy intermediate-scale quantum (NISQ) era, as they combine classical learning components with parameterized quantum circuits in an end-to-end trainable framework. However, their performance and efficiency depend strongly on architectural choices such as data encoding, circuit structure, measurement design, and the coupling between classical and quantum modules. This makes manual design increasingly difficult, especially when hardware limitations and resource constraints must also be taken into account. In this paper, we study the foundations of HQNNs and neural architecture search (NAS), discuss how NAS extends to quantum and hybrid settings, and demonstrate FLOPs-aware search (where FLOPs serve as a proxy for computational complexity), as an important hardware-aware direction for building HQNNs that are not only accurate but also computationally efficient and practically deployable.

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.

Nonstabilizerness, commonly referred to as magic, is a fundamental resource underpinning quantum advantage. In this paper, we propose a magic-informed quantum architecture search (QAS) technique that enables control over a quantum resource within the general framework of circuit design. Inspired by the AlphaGo approach, we tackle the problem with a Monte Carlo Tree Search technique equipped with a Graph Neural Network (GNN) that estimates the magic of candidate quantum circuits. The GNN model induces a magic-based bias that steers the search toward either high- or low-magic regimes, depending on the target objective. We benchmark the proposed magic-informed QAS technique on both the structured ground-state energy problem and on the more general quantum state approximation problem, spanning different sizes and target magic levels. Experimental results show that the proposed technique effectively influences the magic across the search tree and notably also on the resulting final circuit, even in regimes where the GNN operates on out-of-distribution instances. Although introducing a problem-agnostic magic bias could, in principle, constrain the search dynamics, we observe consistent improvements in solution quality across all problems tested.

Deep reinforcement learning for quantum circuit optimization faces three bottlenecks: replay buffers that overlook temporal difference (TD) target reliability, curriculum-based architecture search requiring a full quantum-classical evaluation after every edit, and the discard of noiseless trajectories when retraining under hardware noise. We address these limitations by treating replay as a central algorithmic lever. We introduce ReaPER+, an annealed replay rule that transitions from TD-error prioritization to reliability-aware sampling as value estimates mature. ReaPER+ achieves up to 4x higher sample efficiency than fixed PER, ReaPER, and uniform replay, while matching prior on-policy solution quality with up to 32x fewer interactions At 12 qubits, fixed ReaPER reaches the lowest energy error in the fewest steps, while PER and uniform replay find more compact circuits at higher error. On tasks scaling to 20 qubits, ReaPER+ retains its advantage, demonstrating that reliability-aware annealing extends beyond small-system benchmarks. LunarLander-v3 confirms that the ReaPER+ is domain-agnostic, it improves success rates by up to 26.8% over PER and 21.8% over fixed ReaPER, with a 3% AUC gain over both. We further introduce OptCRLQAS, which amortizes quantum-classical evaluations across multiple architectural edits, reducing training wall-clock time by up to 67.5% on 12-qubit without degrading solution quality. Finally, lightweight replay-buffer transfer warm-starts noisy optimization from noiseless trajectories, without weight transfer or $ε$-greedy pretraining, reducing steps to chemical accuracy by 85-90% and final energy error by up to 90% relative to from-scratch learning. Transfer gains increase with system size. Together, these results establish experience storage, sampling, and transfer as decisive levers for sample efficient, noise-aware quantum circuit optimization.

Designing quantum neural networks (QNNs) that are both accurate and deployable on NISQ hardware is challenging. Handcrafted ansatze must balance expressivity, trainability, and resource use, while limited qubits often necessitate circuit cutting. Existing quantum architecture search methods primarily optimize accuracy while only heuristically controlling quantum and mostly ignore the exponential overhead of circuit cutting. We introduce QNAS, a neural architecture search framework that unifies hardware aware evaluation, multi objective optimization, and cutting overhead awareness for hybrid quantum classical neural networks (HQNNs). QNAS trains a shared parameter SuperCircuit and uses NSGA-II to optimize three objectives jointly: (i) validation error, (ii) a runtime cost proxy measuring wall clock evaluation time, and (iii) the estimated number of subcircuits under a target qubit budget. QNAS evaluates candidate HQNNs under a few epochs of training and discovers clear Pareto fronts that reveal tradeoffs between accuracy, efficiency, and cutting overhead. Across MNIST, Fashion-MNIST, and Iris benchmarks, we observe that embedding type and CNOT mode selection significantly impact both accuracy and efficiency, with angle-y embedding and sparse entangling patterns outperforming other configurations on image datasets, and amplitude embedding excelling on tabular data (Iris). On MNIST, the best architecture achieves 97.16% test accuracy with a compact 8 qubit, 2 layer circuit; on the more challenging Fashion-MNIST, 87.38% with a 5 qubit, 2 layer circuit; and on Iris, 100% validation accuracy with a 4 qubit, 2 layer circuit. QNAS surfaces these design insights automatically during search, guiding practitioners toward architectures that balance accuracy, resource efficiency, and practical deployability on current hardware.

We introduce layered Quantum Architecture Search (layered-QAS), a strategy inspired by classical network morphism that designs Parametrised Quantum Circuit (PQC) architectures by progressively growing and adapting them. PQCs offer strong expressiveness with relatively few parameters, yet they lack standard architectural layers (e.g., convolution, attention) that encode inductive biases for a given learning task. To assess the effectiveness of our method, we focus on 3D point cloud classification as a challenging yet highly structured problem. Whereas prior work on this task has used PQCs only as feature extractors for classical classifiers, our approach uses the PQC as the main building block of the classification model. Simulations show that our layered-QAS mitigates barren plateau, outperforms quantum-adapted local and evolutionary QAS baselines, and achieves state-of-the-art results among PQC-based methods on the ModelNet dataset.