Modern High-Performance Computing (HPC) infrastructures are increasingly integrating multiple Quantum Processing Units (QPUs) of different types alongside classical resources. Unlike traditional accelerator scheduling, quantum device selection affects not only performance but also the quality of the computed result because current quantum hardware exhibits device-dependent noise characteristics. This makes efficient and fidelity-based device selection a key challenge in multi-QPU environments. In this work, we propose a Graph Neural Network (GNN) model that exploits the structural representation of quantum circuits to predict their execution fidelity across different QPUs. By operating on uncompiled circuits, the approach supports earlystage device selection and enables making informed scheduling decisions. We evaluate the model on a diverse set of benchmark circuits compiled for superconducting and trapped-ion devices. The results show that the proposed approach outperforms existing baseline models, achieving 30% Mean Squared Error (MSE) and 20% Mean Absolute Error (MAE) reduction, and provides an effective basis for fidelity-based scheduling in heterogeneous HPC-quantum systems.
Modern High-Performance Computing (HPC) infrastructures are increasingly integrating multiple Quantum Processing Units (QPUs) of different types alongside classical resources. Unlike traditional accelerator scheduling, quantum device selection affects not only performance but also the quality of the computed result because current quantum hardware exhibits device-dependent noise characteristics. This makes efficient and fidelity-based device selection a key challenge in multi-QPU environments. In this work, we propose a Graph Neural Network (GNN) model that exploits the structural representation of quantum circuits to predict their execution fidelity across different QPUs. By operating on uncompiled circuits, the approach supports earlystage device selection and enables making informed scheduling decisions. We evaluate the model on a diverse set of benchmark circuits compiled for superconducting and trapped-ion devices. The results show that the proposed approach outperforms existing baseline models, achieving 30% Mean Squared Error (MSE) and 20% Mean Absolute Error (MAE) reduction, and provides an effective basis for fidelity-based scheduling in heterogeneous HPC-quantum systems.
High Performance Computing-Quantum Computing (HPCQC) platforms expose multiple Quantum Processing Units (QPUs) that may differ in size, topology, native gates, and noise characteristics. For current noisy devices, errors compound along the compiled circuits quickly, and minimizing them, that is, maximizing the circuits' execution fidelity, is essential for reliable results. Fidelity depends on the compilation to a specific target device: the same high-level circuit may produce different executables and, therefore, different expected fidelities across QPUs. We present a low-overhead fidelity-aware scheduling framework for multi-QPU systems based on a Graph Neural Network (GNN) that estimates, before compilation, the expected fidelity of each circuit on each available QPU. Then, a tunable scheduler uses these estimates to control the trade-off between execution fidelity and parallelism. Results show that this framework allows for approximating an exhaustive fidelity-based assignment, saving computational resources compared to a brute-force approach that compiles each circuit on every device.
The growing variety of quantum hardware technologies, each with unique peculiarities such as connectivity and native gate sets, creates challenges when selecting the best platform for executing a specific quantum circuit. This selection process usually involves a brute-force approach: compiling the circuit on various devices and evaluating performance based on factors such as circuit depth and gate fidelity. However, this method is computationally expensive and does not scale well as the number of available quantum processors increases. In this work, we propose a Graph Neural Network (GNN)based predictor that automates hardware selection by analyzing the Directed Acyclic Graph (DAG) representation of a quantum circuit. Our study evaluates 498 quantum circuits (up to 27 qubits) from the MQT Bench dataset, compiled using Qiskit on four devices: three superconducting quantum processors (IBM-Kyiv, IBM-Brisbane, IBM-Sherbrooke) and one trappedion processor (IONQ-Forte). Performance is estimated using a metric that integrates circuit depth and gate fidelity, resulting in a dataset where 93 circuits are optimally compiled on the trappedion device, while the remaining circuits prefer superconducting platforms. By exploiting graph-based machine learning, our approach avoids extracting the circuit features for the model evaluation but directly embeds it as a graph, significantly accelerating the optimal target decision-making process and maintaining all the information. Experimental results prove94.4%accuracy and an85.5%F1 score for the minority class, effectively predicting the best compilation target. The developed code is publicly available on GitHub (https://github.com/antotu/GNN-Model-Quantum-Predictor).
Quantum kernels hold significant promise for achieving computational advantages in quantum machine learning (QML), yet their effectiveness critically depends on the design of expressive and hardware-compatible feature maps, a challenge that is particularly pronounced in Noisy Intermediate-Scale Quantum (NISQ) devices with limited qubits, gate errors, and restricted connectivity. In this work, we propose a hardware-aware methodology for automated quantum kernel design that integrates quantum device characteristics with learning-based evaluation. Specifically, candidate quantum circuits explored within the hardware-aware circuit space are represented as directed acyclic graphs (DAGs) encoding hardware-specific information such as gate operations, qubit interactions, and noise properties, while a dual graph neural network (GNN) predictor is employed to estimate key surrogate metrics, including probability of successful trials (PST) and kernel-target alignment (KTA), enabling efficient and accurate assessment of circuit fidelity and kernel performance to facilitate the identification of task-specific quantum kernels. Furthermore, feature selection is incorporated to reduce input dimensionality and ensure compatibility with near-term devices. Extensive experiments on multiple benchmark datasets, including Credit Card (CC), MNIST-5, and FMNIST-4, demonstrate that our method consistently outperforms existing baselines in classification accuracy, effectively balancing hardware constraints and model expressivity under realistic noise conditions. These results highlight the potential of combining hardware-aware design with deep learning techniques to advance practical quantum kernel methods under hardware-calibrated noisy simulation settings.
The current advancement in quantum computers has been focusing on increasing the number of qubits and enhancing their fidelity. However, the available quantum devices, known as intermediate scale quantum (NISQ) computers, still suffer from different sources of noise that impact their reliability. Thus, practical noise modeling is of great importance in the development of quantum error mitigation approaches. In this article, we propose a machine learning (ML)-based scheme to predict the output fidelity of the quantum circuit executed on NISQ devices. We show the benefit of using graph neural network (GNN)-based models compared to traditional ML-based models in capturing the quantum circuit structure in addition to its gates’ features, which enable characterizing unpredicted quantum circuit errors. We use different metrics to measure the fidelity of the quantum circuit output. Our experimental results using different quantum algorithms executed on IBM Q Guadalupe quantum computer show the high prediction accuracy of our ML reliability models. Our results also show that our models can guide the single-qubit gate rescheduling to improve the output fidelity of the quantum circuit without the need for prior execution of dedicated calibration circuits.
Quantum computing is a quickly growing field with great potential for future technology. Quantum computers in the current noisy intermediate-scale quantum (NISQ) era face two major limitations - qubit count and error vulnerability. Although quantum error correction (QEC) methods exist, they are not applicable to the current size of computers, requiring thousands of qubits, while current NISQ systems have hundreds at most. It is therefore imperative to improve the reliability of the circuits as much as possible to make them robust to the errors that will occur. One common approach is to adjust the compilation process of a circuit to create a final circuit with improved reliability. However, there are many decisions to be made when compiling that affect the final performance of the circuit, two of the most critical ones being the mapping of logical to physical qubits (the qubit allocation problem) and the movement of qubits to satisfy two-qubit gate adjacency requirements (the qubit routing problem). We focus on solving the qubit allocation problem and identifying initial layouts that reduce error. To identify these layouts, we combine reinforcement learning with a graph neural network (GNN)-based Q-network for analyzing both the connections and error rates of the graph-like backend of superconducting quantum computers to make mapping decisions, creating a Graph Neural Network Assisted Compilation (GNAQC) strategy. We provide both the circuit and the properties of the target backend as input to guide the decision-making process. We work with the IBM Qiskit API to compile and simulate our quantum circuits. We train the architecture using a set of four backends and six circuits and find that GNAQC generally outperforms pre-existing qubit allocation algorithms, increasing final relative output fidelity by roughly 12.7%.
Quantum computers in the current noisy intermediate-scale quantum (NISQ) era face two major limitations - size and error vulnerability. Although quantum error correction (QEC) methods exist, they are not applicable at the current size of computers, requiring thousands of qubits, while NISQ systems have nearly one hundred at most. One common approach to improve reliability is to adjust the compilation process to create a more reliable final circuit, where the two most critical compilation decisions are the qubit allocation and qubit routing problems. We focus on solving the qubit allocation problem and identifying initial layouts that result in a reduction of error. To identify these layouts, we combine reinforcement learning with a graph neural network (GNN)-based Q-network to process the mesh topology of the quantum computer, known as the backend, and make mapping decisions, creating a Graph Neural Network Assisted Quantum Compilation (GNAQC) strategy. We train the architecture using a set of four backends and six circuits and find that GNAQC improves output fidelity by roughly 12.7% over pre-existing allocation methods.