Enhanced Reinforcement Learning-based Process Synthesis via Quantum Computing

Quantum reinforcement learning (QRL) is a promising approach to learn effective decision strategies across several applications with stochastic environments. Instead of directly modeling the random variables that govern these environments, existing QRL architectures indirectly approximate environment behavior by estimating expected outcomes, which limits their expressive power and adaptive potential. Overcoming such challenges requires a novel QRL approach that exploits the distributional nature of quantum computers to directly model environment random variables as quantum state distributions. Hence, in this paper, a novel framework dubbed quantum-native reinforcement learning (QnRL) is proposed. QnRL is a distributional RL framework that learns conditional distributions naturally in Hilbert space via superimposed and entangled quantum states. Thus, QnRL can directly model the behavior of stochastic learning environments via the natural properties of quantum systems. QnRL accomplishes this via a novel, proposed quantum amplitude kickback (QuAK) algorithm that enables comparing the $n$-th power of the $m$-th moment of multiple superimposed distributions. It is theoretically proven that a conditional action policy distribution is distilled from the moments of a quantum generative model entirely within Hilbert space via QuAK, and optimized via QnRL. This complex distribution composition is also shown to provide extra dimensions for expressing environment correlations that are unknown to purely classical and classically-sampled quantum distributional models. Experimental results across diverse environments show that QnRL achieves up to $82.9\%$ higher evaluation scores, with up to $94.3\%$ fewer parameters on average, more accurately estimates the expected return for unseen observations, and better adapts to varying stochastic conditions compared to the baseline.

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.

In recent years, the utility of parameterized quantum circuits as function approximators has been widely studied. In the context of reinforcement learning, this approach has led to variational quantum algorithms such as quantum Q-learning. While these methods show promising empirical results, and can provide provable advantages for artificial problems, it remains unclear whether they can provide a provable quantum advantage over classical approaches for problems of practical relevance. A natural way to investigate this question is through the lens of dequantization: The construction of efficient classical algorithms capable of matching the performance of quantum variational methods. Building on recent kernel-based dequantization results for supervised learning, we take steps towards extending this surrogate-based dequantization program to reinforcement learning. Specifically, we study the simplified setting of reinforcement learning with a uniform generative model in which uniformly random state-action samples are available, which models the regime of sampling from a large experience replay buffer after sufficient exploration. Within this setting, we provide finite sample guarantees for classical kernelized Fitted Q-Iteration, with classical kernels designed to match the inductive bias of particular parameterized quantum circuits. Using these results, we then provide a set of sufficient conditions, on the data-encoding strategy of a parameterized quantum circuit, the corresponding classical kernel, and the problem structure, under which kernelized Fitted Q-Iteration provides a meaningful dequantization of quantum Q-learning, in this simplified setting. Apart from providing rigorous dequantization guarantees when these conditions are met, these results also motivate the use of kernelized fitted Q-iteration as a dequantization heuristic when these sufficient conditions cannot be verified.