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arXiv:2509.09421 · Physical Review A

Attributed-graph kernel implementation using local detuning of a neutral-atom Rydberg Hamiltonian

Mehdi Djellabi, Matthias Hecker, Shaheen Acheche

Published Apr 23, 2026• 1 citation
arXivHTMLPDF

Abstract

We extend the quantum-feature kernel framework, which relies on measurements of graph-dependent observables, along three directions. First, leveraging neutral-atom quantum processing units (QPUs), we introduce a scheme that incorporates attributed graphs by embedding edge features into atomic positions and node features into local detuning fields of a Rydberg Hamiltonian. We demonstrate both theoretically and empirically that local detuning enhances kernel expressiveness. Second, in addition to the existing quantum evolution kernel (QEK), which uses global observables, we propose the generalized-distance quantum-correlation (GDQC) kernel, based on local observables. While the two kernels show comparable performance, we show that GDQC can achieve higher expressiveness. Third, instead of restricting to observables at single time steps, we combine information from multiple stages of the quantum evolution via pooling operations. Using extensive simulations on two molecular benchmark datasets, MUTAG and PTC\_FM, we find: (a) QEK and GDQC perform competitively with leading classical algorithms; and (b) pooling further improves performance, enabling quantum-feature kernels to surpass classical baselines. These results show that node-feature embedding and kernel designs based on local observables advance quantum-enhanced graph machine learning on neutral-atom devices.

DOI
10.1103/xybw-6sch

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We extend the quantum-feature kernel framework, which relies on measurements of graph-dependent observables, along three directions. First, leveraging neutral-atom quantum processing units (QPUs), we introduce a scheme that incorporates attributed graphs by embedding edge features into atomic positions and node features into local detuning fields of a Rydberg Hamiltonian. We demonstrate both theoretically and empirically that local detuning enhances kernel expressiveness. Second, in addition to the existing quantum evolution kernel (QEK), which uses global observables, we propose the generalized-distance quantum-correlation (GDQC) kernel, based on local observables. While the two kernels show comparable performance, we show that GDQC can achieve higher expressiveness. Third, instead of restricting to observables at single time steps, we combine information from multiple stages of the quantum evolution via pooling operations. Using extensive simulations on two molecular benchmark datasets, MUTAG and PTC_FM, we find: (a) QEK and GDQC perform competitively with leading classical algorithms; and (b) pooling further improves performance, enabling quantum-feature kernels to surpass classical baselines. These results show that node-feature embedding and kernel designs based on local observables advance quantum-enhanced graph machine learning on neutral-atom devices.
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We present a novel approach to embed node-attributed graphs onto neutral-atom quantum computers, and propose an application to digit recognition. Our approach extends PASQAL's quantum evolution kernel (QEK) by introducing a node-level feature encoding based on three-level quantum states. To this purpose, we present a prototype showing how the resulting embedding can be leveraged to extract correlation-based information for classification tasks. The entire quantum process is simulated using Pasqal's Pulser library, which inevitably imposes constraints on the size of the experimental datasets. We compare our method with classical baselines to evaluate its potential. We show that, for the digit recognition task, our method achieves a higher mean accuracy than the more commonly used Jensen-Shannon distance-based methods by utilizing the Wasserstein distance.
Neutral atom platforms are analogue quantum simulators that offer the possibility to map graphs onto a 2D qubit register using programmable Rubidium atoms arrays, whose valence electrons' energy state is used as qubits, using optical tweezers. This makes it possible to implement algorithms for solving graph combinatorial optimization and Quantum Machine Learning (QML) tasks, such as graph classification. However, the restrictions of real hardware, as well as the very low number of publicly available machines, make such implementation non-trivial. In this work, we manage to compute the Quantum Evolution Kernel (QEK) to extract the features from graphs of the PROTEINS dataset using the 256-qubits Aquila platform (available through AWS) and then we apply classical Machine Learning (ML) techniques for the final classification. The method is benchmarked against classical kernels, resulting in slightly better performance, proving the effectiveness of the method, even in the case of a noisy quantum simulator.
Asynchronous, event-based graph neural networks (AEGNNs) have recently emerged as an efficient paradigm for processing the sparse and high-temporal-resolution data from event cameras. In this paper, we propose quantum analog AEGNNs (QA-AEGNNs), a novel framework to implement an AEGNN on a neutral-atom quantum computer. Neutral-atom quantum processors offer a programmable analog quantum computing platform based on controllable Rydberg-atom interactions. To this end, we map the streaming event data to an array of trapped neutral atoms, where each atom represents a graph node (event) and is positioned such that geometric proximity reflects the spatio-temporal neighborhood of events. The native Rydberg Hamiltonian of the quantum processor is programmed to mirror the message-passing computations of the AEGNN, with atomic qubit states serving as node feature embeddings and inter-atom interactions realizing graph edges. Furthermore, we propose a hybrid quantum-classical training scheme in which the analog Hamiltonian parameters (e.g., laser pulse amplitudes and detunings) are optimized using classical feedback to learn the quantum AEGNN model from data. Our approach leverages the continuous Hamiltonian dynamics and massive parallelism of neutral-atom quantum systems to natively execute event-based graph computations with potential accuracy improvements
The rapid development of reliable quantum processing units opens up novel computational opportunities for machine learning. Here, we introduce a procedure for measuring the similarity between graph-structured data, based on the time evolution of a quantum system. By encoding the topology of the input graph in the Hamiltonian of the system, the evolution produces measurement samples that retain key features of the data. We study analytically the procedure and illustrate its versatility in providing links to standard classical approaches. We then show numerically that this scheme performs well compared to standard graph kernels on typical benchmark datasets. Finally, we study the possibility of a concrete implementation on a realistic neutral-atom quantum processor.
Neutral-atom quantum devices offer a natural and powerful platform for Quantum Reservoir Computing (QRC), a non-variational approach to quantum-enhanced machine learning that is attracting growing interest in the Noisy Intermediate-Scale Quantum (NISQ) era. In this work, we implement a QRC-based learning model tailored to Pasqal neutral-atom hardware, where classical data are encoded into time-dependent detuning waveforms and processed through programmable many-body dynamics. Feature embeddings are extracted from single- and two-qubit Pauli-ZZZ observables and used within a simple linear readout model. We systematically investigate both global and local detuning encoding strategies on a supervised image classification task, benchmarking performance against a purely classical linear baseline. Our results show that processing the data through the quantum reservoir yields a consistent $\sim$4\% improvement in accuracy, highlighting the system effectiveness as a nonlinear feature map. Both encoding strategies exhibit comparable performance, suggesting that QRC can leverage different control schemes while remaining compatible with near-term and emerging hardware capabilities. These findings provide concrete evidence that QRC can enhance classical machine learning pipelines by injecting non-classical correlations without the need for variational optimization, thereby avoiding issues such as barren plateaus and training instabilities. More broadly, this work establishes neutral-atom platforms as a promising and scalable setting for QRC, opening the way toward practical quantum-enhanced learning on near-term devices.