DreamQAS: Learning a Decision-Useful World Model for VQE-Efficient Quantum Architecture Search

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.

The geometric and topological structure of quantum cost landscapes (QCLs) governs the optimization and thus the predictive power of variational quantum algorithms (VQAs). We systematically analyze ravines - low-cost paths connecting local minima - using an adapted version of the nudged elastic band (NEB) algorithm, a method originating from theoretical chemistry. By training quantum neural networks (QNNs) to classify the concentratable entanglement of quantum states, we apply the NEB algorithm and numerically identify ravine structures in QCLs of hardware-efficient ansatzes. Beyond visualizing these ravines, we construct an ensemble prediction framework by averaging predictions from QNNs parameterized along the low-cost NEB path. We introduce a resource-light pre-training metric which quantifies local-prediction variability and serves as a strong performance indicator for VQAs, even beyond the scope of this study. When base classifiers are drawn from circuit and weight initializations exhibiting high local-prediction variability, the quantum-based NEB ensembles outperform both classical and naive quantum alternatives. Moreover, a complexity analysis shows that leveraging the ravine-like structure of QCLs with the QNN NEB approach substantially reduces computational costs compared to naive QNN ensembling. A depth and qubit scaling analysis indicates that ravines persist across both scalings, and that, despite the expected growth in resource requirements with the qubit scaling, the NEB approach also accelerates convergence over the naive alternative.

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.