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IEEE Transactions on Computer-Aided Design of Integrated Circuits and Systems

Data-Driven Reliability Models of Quantum Circuit: From Traditional ML to Graph Neural Network

Vedika Saravanan, Samah Mohamed Saeed

Published Sep 5, 2022• 22 citations
Publisher

Abstract

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.

DOI
10.1109/tcad.2022.3202430

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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.
While current quantum computers, referred to as Noisy Intermediate-Scale Quantum (NISQ) computers, are expected to be beneficial for different applications, they are prone to different types of errors. In order to enhance the reliability of quantum systems, noise-aware quantum compilers are used to generate physical quantum circuits to be executed on NISQ computers. The quantum hardware is calibrated very frequently and its error rates are computed accordingly. Based on the hardware error rates, a quantum compiler allocates physical qubits and schedules quantum operations. However, error rates may change post-calibration. To incorporate dynamic error rates into quantum circuit compilation with minimum cost, we propose a Machine Learning (ML)-based scheme to detect the incorrect output of the quantum circuit and predict the Probability of Successful Trials (PST) with high accuracy. Our approach can verify the error rates of the quantum hardware and validate the correctness of the extracted quantum circuit output. We provide a case study of our ML-based reliability models using IBM Q16 Melbourne quantum computer. Our results show that the proposed scheme achieves a very high prediction accuracy.
To generate physical quantum circuits, quantum gates are often added to the quantum circuit to satisfy the hardware constraints. This process is called quantum circuit mapping. Noise-aware mapping techniques generate physical quantum circuits for noisy intermediate-scale quantum (NISQ) computers. However, the absence of an accurate noise model of the quantum hardware limits its performance. In this article, we propose a noise adaptive quantum circuit mapping approach using reinforcement learning (RL) and graph neural network (GNN)-based reliability predictor. Our RL agent learns a quantum circuit mapping policy that significantly improves the quantum circuit output fidelity by interacting with the environment, which adopts a GNN reliability model that acts as quantum hardware and estimates the physical quantum circuit fidelity. Furthermore, we propose a multi-GNN reliability model to speed up the inference while maintaining high accuracy. Our proposed RL framework fills the gap between the simplified reliability models of the quantum hardware and the realistic noise impact of the quantum hardware on the quantum circuits. We demonstrate the improvement in the output fidelity of quantum circuits generated using our approach compared to other quantum circuit mapping techniques across different real-world quantum hardware using multiple-seed experiments.
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%.
Among different quantum algorithms, PQC for QML show promises on near-term devices. To facilitate the QML and PQC research, a recent python library called TorchQuantum has been released. It can construct, simulate, and train PQC for machine learning tasks with high speed and convenient debugging supports. Besides quantum for ML, we want to raise the community's attention on the reversed direction: ML for quantum. Specifically, the TorchQuantum library also supports using data-driven ML models to solve problems in quantum system research, such as predicting the impact of quantum noise on circuit fidelity and improving the quantum circuit compilation efficiency. This paper presents a case study of the ML for quantum part. Since estimating the noise impact on circuit reliability is an essential step toward understanding and mitigating noise, we propose to leverage classical ML to predict noise impact on circuit fidelity. Inspired by the natural graph representation of quantum circuits, we propose to leverage a graph transformer model to predict the noisy circuit fidelity. We firstly collect a large dataset with a variety of quantum circuits and obtain their fidelity on noisy simulators and real machines. Then we embed each circuit into a graph with gate and noise properties as node features, and adopt a graph transformer to predict the fidelity. Evaluated on 5 thousand random and algorithm circuits, the graph transformer predictor can provide accurate fidelity estimation with RMSE error 0.04 and outperform a simple neural network-based model by 0.02 on average. It can achieve 0.99 and 0.95 R2^22 scores for random and algorithm circuits, respectively. Compared with circuit simulators, the predictor has over 200X speedup for estimating the fidelity.
Quantum error mitigation (QEM) provides a practical route for estimating reliable observables on noisy intermediate-scale quantum (NISQ) devices. Traditional QEM strategies, including zero-noise extrapolation (ZNE) and Clifford data regression (CDR), rely on noise scaling or global regression, and their performance is constrained by the exponential growth of the system degrees of freedom. We construct a graph-enhanced mitigation (GEM) framework, which incorporates physical information into the model representation. In this work, quantum circuits are encoded as attributed graphs. Hardware-level physical information is mapped to node and edge features: local noise parameters such as calibration parameters T1T_1T1​, T2T_2T2​, and readout errors are encoded at nodes, while coupling-related information such as two-qubit gate errors is encoded as edge features. Graph neural networks are used to model how errors propagate along the physical coupling structure and build up into non-local correlations. This allows the model to capture local interactions and part of the resulting non-local correlations across qubits. A dual-branch affine correction is applied to maintain consistency with physical constraints. Experiments on 10-qubit and 16-qubit random circuits executed on superconducting quantum processors show that GEM provides a level of accuracy comparable to CDR at small scales, while yielding lower mean absolute error and improved stability in zero-shot transfer to larger systems. Results of the traditional QEM strategy indicate that global regression methods remain effective in low-dimensional settings but become less reliable as system degrees of freedom grow. In contrast, GEM makes use of local physical structures to show better scalability and generalization, while preserving the overall error propagation patterns. This work provides a practical scalable approach to QEM for NISQ devices.
Abstract Noisy Intermediate-Scale Quantum (NISQ) computing is fundamentally constrained by hardware noise that is not only large but also temporally drifting and structurally complex. Traditional quantum error mitigation (QEM) techniques, such as Zero-Noise Extrapolation (ZNE), often rely on simplified noise assumptions that degrade under coherent errors and deep circuit structures. Conversely, existing machine learning-based QEM approaches typically treat device noise as a static background, leading to poor generalization when hardware calibration shifts. In this work, we propose \textbf{Calib-GNN}, a novel framework that explicitly integrates real-time hardware calibration data into a Graph Neural Network (GNN) architecture. By embedding gate-specific error rates directly into the graph representation, our model learns a dynamic mapping from noisy measurements to ideal expectation values. Through extensive simulations based on real noise profiles from the IBM Quantum \texttt{ibm\_fez} backend, we demonstrate that Calib-GNN significantly outperforms standard baselines. Specifically, it reduces the Root Mean Square Error (RMSE) by approximately 14\% compared to ZNE on random circuits and exhibits superior robustness against severe noise drift where traditional models fail. Furthermore, we show that Calib-GNN effectively scales to deeper circuits and recovers the ground state energy of the H2H_2H2​ molecule in Variational Quantum Eigensolver (VQE) tasks with high fidelity, overcoming the limitations of ZNE in the presence of coherent noise.