Scalable On-Hardware Training of Quantum Neural Networks and Application to Clinical Data Imputation

Training quantum neural networks (QNNs) on quantum hardware is currently bottlenecked by the cost of gradient estimation: standard parameter-shift methods require a number of circuit evaluations that grows quadratically with the number of trainable parameters, making hardware-based optimisation impractical beyond small system sizes. In this work, we introduce a training framework that reduces this cost to logarithmic in the number of qubits, making gradient-based QNN optimisation feasible on near-term hardware at increasing scales. Our framework combines three co-designed ingredients: (i) a structured, subspace-preserving Butterfly circuit architecture with $O(n \log n)$ parameters and logarithmic depth; (ii) a layer-wise training strategy that confines on-hardware optimisation to one small, well-structured layer at a time; and (iii) a parallelised parameter-shift rule that exploits the commuting structure within each Butterfly layer to extract all gradients in a constant number of circuit executions. Together these reduce the number of distinct circuit evaluations per optimisation step from $O(n^2)$ to $O(\log n)$. We validate the framework on clinical data imputation using the MIMIC-III electronic health record dataset, a demanding benchmark sensitive to optimisation instability and model variance. Hybrid classical-quantum models are trained directly on IonQ Forte Enterprise trapped-ion hardware at 16 qubits without performance degradation relative to ideal or noisy simulation and via tensor-network simulation at 32 qubits, with 32-qubit inference executed on hardware. The resulting models match or exceed strong classical neural baselines in downstream patient survival prediction while exhibiting reduced variance across runs, demonstrating that the proposed framework enables practical, scalable QNN training under realistic hardware constraints.

Quantum Machine Learning Framework for Virtual Screening in Drug Discovery: a Prospective Quantum Advantage

Machine Learning (ML) for Ligand Based Virtual Screening (LB-VS) is an important in-silico tool for discovering new drugs in a faster and cost-effective manner, especially for emerging diseases such as COVID-19. In this paper, we propose a general-purpose framework combining a classical Support Vector Classifier (SVC) algorithm with quantum kernel estimation for LB-VS on real-world databases, and we argue in favor of its prospective quantum advantage. Indeed, we heuristically prove that our quantum integrated workflow can, at least in some relevant instances, provide a tangible advantage compared to state-of-art classical algorithms operating on the same datasets, showing strong dependence on target and features selection method. Finally, we test our algorithm on IBM Quantum processors using ADRB2 and COVID-19 datasets, showing that hardware simulations provide results in line with the predicted performances and can surpass classical equivalents.