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arXiv:2605.03565 · IEEE Annual International Computer Software and Applications Conference (COMPSAC)

Neural optimization for quantum architectures: graph embedding problems with Distance Encoder Networks

Chiara Vercellino, Giacomo Vitali, Paolo Viviani, Alberto Scionti, Andrea Scarabosio, Olivier Terzo, Edoardo Giusto, Bartolomeo Montrucchio

quant-phSubmitted May 5, 2026• Announced May 6, 2026• 3 citations
arXivHTMLPDF

Abstract

Quantum machines are among the most promising technologies expected to provide significant improvements in the following years. However, bridging the gap between real-world applications and their implementation on quantum hardware is still a complicated task. One of the main challenges is to represent through qubits (i.e., the basic units of quantum information) the problems of interest. According to the specific technology underlying the quantum machine, it is necessary to implement a proper representation strategy, generally referred to as embedding. This paper introduces a neural-enhanced optimization framework to solve the constrained unit disk problem, which arises in the context of qubits positioning for neutral atoms-based quantum hardware. The proposed approach involves a modified autoencoder model, i.e., the Distances Encoder Network, and a custom loss, i.e., the Embedding Loss Function, respectively, to compute Euclidean distances and model the optimization constraints. The core idea behind this design relies on the capability of neural networks to approximate non-linear transformations to make the Distances Encoder Network learn the spatial transformation that maps initial non-feasible solutions of the constrained unit disk problem into feasible ones. The proposed approach outperforms classical solvers, given fixed comparable computation times, and paves the way to address other optimization problems through a similar strategy.

Journal reference
2023 IEEE 47th Annual Computers, Software, and Applications Conference (COMPSAC). IEEE, 2023. p. 380-389
DOI
10.1109/COMPSAC57700.2023.00058

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Quantum machines are among the most promising technologies expected to provide significant improvements in the following years. However, bridging the gap between real-world applications and their implementation on quantum hardware is still a complicated task. One of the main challenges is to represent through qubits (i.e., the basic units of quantum information) the problems of interest. According to the specific technology underlying the quantum machine, it is necessary to implement a proper representation strategy, generally referred to as embedding. This paper introduces a neural-enhanced optimization framework to solve the constrained unit disk problem, which arises in the context of qubits positioning for neutral atoms-based quantum hardware. The proposed approach involves a modified autoencoder model, i.e., the Distances Encoder Network, and a custom loss, i.e., the Embedding Loss Function, respectively, to compute Euclidean distances and model the optimization constraints. The core idea behind this design relies on the capability of neural networks to approximate non-linear transformations to make the Distances Encoder Network learn the spatial transformation that maps initial non-feasible solutions of the constrained unit disk problem into feasible ones. The proposed approach outperforms classical solvers, given fixed comparable computation times, and paves the way to address other optimization problems through a similar strategy.
Graph embedding is a recurrent problem in quantum computing, for instance, quantum annealers need to solve a minor graph embedding in order to map a given Quadratic Unconstrained Binary Optimization (QUBO) problem onto their internal connectivity pattern. This work presents a novel approach to constrained unit disk graph embedding, which is encountered when trying to solve combinatorial optimization problems in QUBO form, using quantum hardware based on neutral Rydberg atoms. The qubits, physically represented by the atoms, are excited to the Rydberg state through laser pulses. Whenever qubits pairs are closer together than the blockade radius, entanglement can be reached, thus preventing entangled qubits to be simultaneously in the excited state. Hence, the blockade radius determines the adjacency pattern among qubits, corresponding to a unit disk configuration. Although it is straightforward to compute the adjacency pattern given the qubit coordinates, identifying a feasible unit disk arrangement that matches the desired QUBO matrix is, on the other hand, a much harder task. In the context of quantum optimization, this issue translates into the physical placement of the qubits in the 2D/3D register to match the machine's Ising-like Hamiltonian with the QUBO formulation of the optimization problems. The proposed solution exploits the power of neural networks to transform an initial embedding configuration, which does not match the quantum hardware requirements or does not account for the unit disk property, into a feasible embedding properly representing the target optimization problems. Experimental results show that this new approach overcomes in performance Gurobi solver.
We present our work on effectively representing unit-disk graphs on the registers of neutral atom quantum machines. Specifically, we aimed to embed graphs corresponding to proteins and cellular antenna networks into unit-disk graphs, ensuring compatibility with the registers of two real QPUs: Orion Alpha by PASQAL and Aquila by QuEra. To address machine-specific constraints, we made adjustments and integrated Distance Encoder Networks (DEN) from our previous work. Despite these challenges, we successfully embedded up to 76% of protein-representing graphs for a quantum machine learning classification task on the Aquila QPU, and all subgraphs derived from 90 antenna geographical positions in Turin, Italy, on the Orion Alpha QPU. In the latter case, the graphs represented instances of the graph coloring problem, which we tackled using the hybrid quantum-classical algorithm BBQ-mIS. These promising results underscore the effectiveness and versatility of our embedding approach for representing unit-disk graphs on neutral atom quantum computers across diverse applications.
The convergence of quantum computing and machine learning offers significant potential for processing complex data distributions. However, the realization of this potential in the Noisy Intermediate-Scale Quantum (NISQ) era is constrained by physical hardware limitations, particularly restricted qubit counts and system noise. This thesis addresses the challenge of the ”Representation Bottleneck” by establishing a framework for resource-efficient quantum representation learning. The research demonstrates that effective learning on near-term devices can be achieved by optimizing circuit architectures and objective functions to align with hardware constraints. First, to address resource limitations in high-dimensional visual recognition, we propose the Multi-Gate Quantum Convolutional Neural Network (MG-QNN). By employing a Multi-Gate strategy, this architecture optimizes the utilization of quan tum resources within the circuit design. Empirical evaluations on face recognition benchmarks indicate that this approach maintains competitive recognition accuracy while reducing the qubit requirement compared to standard quantum convolutional methods. Second, extending the framework to non-Euclidean data, we introduce the Single-Qubit Graph Neural Network (sQGNN). Utilizing Discrete-Time Quantum Walks, this method encodes graph topologies and relational patterns onto a single qubit. This approach circumvents the need for multi-qubit entangling gates, thereby reducing the computational overhead and noise sensitivity typically associated with processing graph-structured data. Third, in the domain of generative modeling, we present the Single-Qubit Quan tum Convolutional Variational Autoencoder (QCVAE). Addressing the difficulty of generative tasks on constrained devices, this model integrates the Information Bottleneck principle with efficient data re-uploading techniques. The study demonstrates that a single qubit possesses sufficient expressivity to model and reconstruct image distributions effectively when guided by appropriate information theoretic constraints. Finally, to resolve the fundamental limitations of classical loss functions in quantum learning, we establish the Hilbert-Schmidt Information Bottleneck (HSIB). We identify that standard Euclidean metrics often fail to respect the geometric structure of the Hilbert space. The HSIB framework employs the Hilbert Schmidt distance as a tractable geometric measure, providing a learning objective that maximizes information retention while adhering to the intrinsic geometry of quantum states. Collectively, these contributions illustrate that practical quantum machine learning advantage in the NISQ era does not rely solely on scaling hardware, but on the strategic design of resource-efficient architectures and geometrically valid metrics.
Neutral atom-based quantum computers have the ability to dynamically reshape the qubit register geometry between experimental runs. This capability enables different types of problems to be mapped directly onto the hardware, significantly enhancing the efficiency of solving, for instance, complex optimization and machine learning use-cases. However, this flexibility requires finding atom positions to implement target pairwise interactions, inducing a difficult nonconvex optimization for setting up the quantum machine. In this work, we introduce a new force-directed method that targets interactions to encode the input problem on the quantum computer. Numerical results show that our new method can improve embedding feasibility and solution quality by orders of magnitude, and remains reliable on the largest instances.
Quantum machine learning is a fast-emerging field that aims to tackle machine learning using quantum algorithms and quantum computing. Due to the lack of physical qubits and an effective means to map real-world data from Euclidean space to Hilbert space, most of these methods focus on quantum analogies or process simulations rather than devising concrete architectures based on qubits. In this paper, we propose a novel hybrid quantum-classical algorithm for graph-structured data, which we refer to as the Ego-graph based Quantum Graph Neural Network (egoQGNN). egoQGNN implements the GNN theoretical framework using the tensor product and unity matrix representation, which greatly reduces the number of model parameters required. When controlled by a classical computer, egoQGNN can accommodate arbitrarily sized graphs by processing ego-graphs from the input graph using a modestly-sized quantum device. The architecture is based on a novel mapping from real-world data to Hilbert space. This mapping maintains the distance relations present in the data and reduces information loss. Experimental results show that the proposed method outperforms competitive state-of-the-art models with only 1.68\% parameters compared to those models.
This paper investigates the application of quantum annealing in conjunction with graph neural networks (GNNs) for solving complex combinatorial optimization problems. Traditional classical optimization algorithms often face significant challenges in identifying optimal solutions within large and intricate solution spaces. The core idea presented herein is to represent these problems as graphs and utilize the inherent quantum mechanical properties of quantum annealing to explore this space more efficiently. Specifically, GNNs are employed to generate embeddings of the graph, effectively encoding problem-specific features and relationships. This approach aims to bridge the gap between the probabilistic nature of quantum computation and the structural information captured by GNNs. We detail the theoretical framework, explore the potential benefits of this hybrid approach, and outline a methodology for integrating these techniques. The potential for improved optimization performance compared to conventional methods is discussed, highlighting the synergy between quantum annealing's ability to find low-energy states and GNNs' capacity to learn complex graph representations.