TensorRL-QAS: Reinforcement learning with tensor networks for improved quantum architecture search

Variational quantum algorithms hold the promise to address meaningful quantum problems already on noisy intermediate-scale quantum hardware. In spite of the promise, they face the challenge of designing quantum circuits that both solve the target problem and comply with device limitations. Quantum architecture search (QAS) automates the design process of quantum circuits, with reinforcement learning (RL) emerging as a promising approach. Yet, RL-based QAS methods encounter significant scalability issues, as computational and training costs grow rapidly with the number of qubits, circuit depth, and hardware noise. To address these challenges, we introduce TensorRL-QAS, an improved framework that combines tensor network methods with RL for QAS. By warm-starting the QAS with a matrix product state approximation of the target solution, TensorRL-QAS effectively narrows the search space to physically meaningful circuits and accelerates the convergence to the desired solution. Tested on several quantum chemistry problems of up to 12-qubit, TensorRL-QAS achieves up to a 10-fold reduction in CNOT count and circuit depth compared to baseline methods, while maintaining or surpassing chemical accuracy. It reduces classical optimizer function evaluation by up to 100-fold, accelerates training episodes by up to 98\%, and can achieve 50\% success probability for 10-qubit systems, far exceeding the $<$1\% rates of baseline. Robustness and versatility are demonstrated both in the noiseless and noisy scenarios, where we report a simulation of an 8-qubit system. Furthermore, TensorRL-QAS demonstrates effectiveness on systems on 20-qubit quantum systems, positioning it as a state-of-the-art quantum circuit discovery framework for near-term hardware and beyond.