Abstract Variational quantum algorithms are promising methods with the greatest potential to achieve quantum advantage, widely employed in the era of noisy intermediate-scale quantum computing. This study presents an advanced variational hybrid algorithm (EVQLSE) that leverages both quantum and classical computing paradigms to address the solution of linear equation systems. Initially, an innovative loss function is proposed, drawing inspiration from the similarity measure between two quantum states. This function exhibits a substantial improvement in computational complexity when benchmarked against the variational quantum linear solver. Subsequently, a specialized parameterized quantum circuit structure is presented for small-scale linear systems, which exhibits powerful expressive capabilities. Through rigorous numerical analysis, the expressiveness of this circuit structure is quantitatively assessed using a variational quantum regression algorithm, and it obtained the best score compared to the others. Moreover, the expansion in system size is accompanied by an increase in the number of parameters, placing considerable strain on the training process for the algorithm. To address this challenge, an optimization strategy known as quantum parameter sharing is introduced, which proficiently minimizes parameter volume while adhering to exacting precision standards. Finally, EVQLSE is successfully implemented on a quantum computing platform provided by IBM for the resolution of large-scale problems characterized by a dimensionality of 220.
Abstract Variational quantum algorithms are promising methods with the greatest potential to achieve quantum advantage, widely employed in the era of noisy intermediate-scale quantum computing. This study presents an advanced variational hybrid algorithm (EVQLSE) that leverages both quantum and classical computing paradigms to address the solution of linear equation systems. Initially, an innovative loss function is proposed, drawing inspiration from the similarity measure between two quantum states. This function exhibits a substantial improvement in computational complexity when benchmarked against the variational quantum linear solver. Subsequently, a specialized parameterized quantum circuit structure is presented for small-scale linear systems, which exhibits powerful expressive capabilities. Through rigorous numerical analysis, the expressiveness of this circuit structure is quantitatively assessed using a variational quantum regression algorithm, and it obtained the best score compared to the others. Moreover, the expansion in system size is accompanied by an increase in the number of parameters, placing considerable strain on the training process for the algorithm. To address this challenge, an optimization strategy known as quantum parameter sharing is introduced, which proficiently minimizes parameter volume while adhering to exacting precision standards. Finally, EVQLSE is successfully implemented on a quantum computing platform provided by IBM for the resolution of large-scale problems characterized by a dimensionality of 220.
The potential of quantum computing for scientific and industrial breakthroughs is immense, however, we are still in the Noisy Intermediate-Scale Quantum (NISQ) era, where the currently available quantum devices contain small numbers of qubits, are very sensitive to environmental conditions and prone to quantum decoherence. Even so, existing NISQ computers have already been shown to outperform conventional computers on specific problems and the key question is how to make use of today’s NISQ devices to achieve quantum advantage in the field of computational science and engineering (CSE). In this direction, this work proposes a hybrid computing formulation by combining quantum computing with machine learning for accelerating the solution of parameterized linear systems in NISQ devices. In particular, it focuses on the Variational Quantum Linear Solver (VQLS), which is a hybrid quantum- classical algorithm for solving linear systems of equations. VQLS employs a short-depth quantum circuit to efficiently evaluate a cost function related to the system solution. The algorithm’s circuit consists of a quantum gate sequence (unitary operators) that involves a set of tunable parameters. Then, well-established classical optimizers are utilized to tune the parameters of the sequence in order to minimize the cost function, which is equivalent to finding the system solution at an acceptable level of accuracy. In this work, it is demonstrated that machine learning tools such as feed-forward neural networks and nearest-neighbor interpolation techniques can be successfully employed to accelerate the convergence of the VQLS algorithm towards the optimal values for the circuit parameters when applied to parameterized linear systems that need to be solved for multiple parameter instances.
The advent of quantum computing, characterized by limited resources and qubits, the large circuit depth presents a substantial challenge for quantum algorithms designed to solve linear systems of equations. This paper proposes an innovative approach, named Enhanced Variational Quantum Regression (EVQR), specifically designed for solving non-linear curve fitting problems in higher dimensions and orders. It is a hybrid quantum-classical algorithm which not only surpasses the limitations of traditional one-dimensional solvers but also leverages variational principles to address complex problems. Our methodology centers around an initial solution known as an “ansatz” parameterized by a function. By employing quantum circuits, qubits are prepared to efficiently compute inner products in the quantum domain, facilitating accelerated and powerful calculations. The estimated inner product is then transmitted back to the classical computer, where classical optimization techniques such as Levenberg-Marquardt are employed to estimate the function parameters. This iterative process is repeated until the estimation reaches a desired level of accuracy within a predefined tolerance. Notably, we empirically observe that the time complexity of EVQR scales efficiently with the system size N. By leveraging the capabilities of SciPy's curve-fit and the robust optimization techniques of the Levenberg-Marquardt algorithm, our approach overcomes the challenge of higher-dimensional curve fitting. Our primary contribution lies in the fusion of quantum and classical methodologies, a novel integration that, unlike previous quantum approaches, outperforms in terms of performance and accuracy. By combining the strengths of classical optimization and quantum computations, EVQR offers a versatile framework for solving challenging problems, opening new possibilities for data analysis & modeling.
Gaussian processes are widely known for their ability to provide probabilistic predictions in supervised machine learning models. Their non-parametric nature and flexibility make them particularly effective for regression tasks. However, training a Gaussian process model using standard methods requires matrix inversions with a cubic time complexity, which poses significant computational challenges for inference on larger datasets. Quantum algorithms, such as the HHL algorithm, have been proposed as solutions that overcome the need for classical matrix inversions by efficiently solving linear systems of equations using quantum computers. However, to gain a computational advantage over classical algorithms, these algorithms require fault-tolerant quantum computers with a large number of qubits, which are not yet available. The Variational Quantum Linear Solver is a hybrid quantum-classical algorithm that solves linear systems of equations by optimizing the parameters of a variational quantum circuit using a classical computer. This method is especially suitable for noisy intermediate-scale quantum computers, as it does not require many qubits. It can be used to compute the posterior distribution of a Gaussian process by reformulating the matrix inversion into a set of linear systems of equations. We empirically demonstrate that using the Variational Quantum Linear Solver to perform inference for Gaussian process regression delivers regression quality comparable to that of classical methods.
Quantum computing (QC) represents an emerging frontier with significant potential for transformative advancements in Computational Fluid Dynamics (CFD). This potential has been explicitly recognized by the CFD Vision 2030 report, emphasizing the strategic importance of exploring QC for future breakthroughs. Among quantum algorithms relevant to CFD, the Variational Quantum Linear Solver (VQLS) is particularly promising due to its suitability for solving linear and Hamiltonian-based problems, characteristic of fundamental CFD equations such as the pressure-Poisson equation. However, the practical implementation of VQLS for large-scale CFD problems faces critical scalability challenges, most notably the exponential increase in the number of quantum circuit evaluations and the barren plateau phenomenon, which severely hampers trainability and algorithm convergence. In this study, two novel strategies are introduced to address these challenges. First, we utilize a block encoding technique based on efficient oracles, thereby significantly reducing quantum circuit complexity and qubit overhead while accessing system matrix. Second, we incorporate a quantum-inspired evolutionary optimization (QIEO) approach, demonstrating enhanced training efficiency and effectively mitigating the barren plateau issue. These improvements are integrated within a Hybrid Quantum-Classical Method (HQCM) linear solver framework and demonstrated through solving a 2D steady-state heat equation, representative of the pressure-Poisson equations common in incompressible CFD simulations. The proposed methodologies yield promising results, showcasing improved circuit efficiency, enhanced stability during optimization, and accurate numerical solutions. This work lays a foundational step toward realizing practical, scalable quantum-assisted CFD solvers and sets clear pathways for future research aimed at further algorithmic and architectural enhancements.
Previously proposed quantum algorithms for solving linear systems of equations cannot be implemented in the near term due to the required circuit depth. Here, we propose a hybrid quantum-classical algorithm, called Variational Quantum Linear Solver (VQLS), for solving linear systems on near-term quantum computers. VQLS seeks to variationally prepare | x ⟩ such that A | x ⟩ ∝ | b ⟩ . We derive an operationally meaningful termination condition for VQLS that allows one to guarantee that a desired solution precision ϵ is achieved. Specifically, we prove that C ⩾ ϵ 2 / κ 2 , where C is the VQLS cost function and κ is the condition number of A . We present efficient quantum circuits to estimate C , while providing evidence for the classical hardness of its estimation. Using Rigetti's quantum computer, we successfully implement VQLS up to a problem size of 1024 × 1024 . Finally, we numerically solve non-trivial problems of size up to 2 50 × 2 50 . For the specific examples that we consider, we heuristically find that the time complexity of VQLS scales efficiently in ϵ , κ , and the system size N .
Variational quantum algorithms have found success in the noisy intermediate-scale quantum era owing to their hybrid quantum-classical approach which mitigate the problems of noise in quantum computers. In our paper, we introduce the dynamic ansatz in the variational quantum linear solver for a system of linear algebraic equations. In this improved algorithm, the number of layers in the hardware efficient ansatz circuit is evolved, starting from a small and gradually increasing until convergence of the solution is reached. We demonstrate the algorithm advantage in comparison to the standard static ansatz by utilizing fewer quantum resources and with a smaller quantum depth on average in the presence and absence of quantum noise and in cases when the number of qubits or condition number of the system matrices are increased. The numbers of iterations and layers can be altered by a switching parameter. The performance of the algorithm in using quantum resources is quantified by a newly defined metric.