The Variational Quantum Linear Solver (VQLS), a hybrid quantum-classical algorithm for solving linear systems, faces a practical scalability bottleneck: the Linear Combination of Unitaries (LCU) decomposition requires
O(L2) circuit evaluations per optimizer iteration, where
L can grow to
4n in the worst case for an
n-qubit system. We address this computational bottleneck through two complementary strategies. First, we present a distributed VQLS (D-VQLS) framework (https://code.ornl.gov/olcf-qcfd/DVQLS.git), built on NVIDIA CUDA-Q, that enables asynchronous, scalable distribution of the
O(L2) cost evaluations. Second, a fast Walsh--Hadamard transform (FWHT)-based Pauli decomposition with coefficient-amplitude pruning threshold
τ=0.01 curbs LCU growth for the structured Toeplitz family, reducing
L from
O(2n) to 64 for
n>6 and compressing the circuit complexity per optimizer iteration from
O(n4n) to
O(n). We derive the exact top-
L Frobenius error and connect it to worst-case solution error. For a 10-qubit tridiagonal Toeplitz system, the
L=64 pruning yields a
256× reduction---from 23 million to 90k circuits per optimizer iteration.
The D-VQLS framework is validated on the NERSC Perlmutter supercomputer using multi-node, multi-GPU ideal state-vector simulations, achieving over
99.99% fidelity against classical solutions on tridiagonal Toeplitz and Hele--Shaw flow benchmarks, with near-ideal strong scaling up to 24 GPUs and
95.3% weak scaling efficiency at 96 GPUs processing more than 360k circuits per optimizer iteration (from larger-
L pruning) for the 10-qubit system. Systematic profiling identifies the optimal resource allocation for distributed quantum circuit workloads, yielding a
2.52× speedup for the configurations studied.
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.
Recent advances in quantum linear solvers offer a promising direction for accelerating extreme scientific computations such as fluid dynamics. However, the deep and complex circuits required by many quantum algorithms limit their practical use on current quantum hardware. The Variational Quantum Linear Solver (VQLS) presents a viable alternative for near-term quantum devices (NISQ), and initial efforts have explored its application to select fluid dynamics problems. In this work, we evaluate the use of VQLS for canonical fluid dynamics problems, aiming to identify pathways for generalizing its implementation across a broader class of systems. We analyze the impact of various circuit ansatz and classical optimizers on solution quality and convergence behavior. Furthermore, we assess the algorithm's feasibility within a hybrid quantum–high-performance computing (HPC) framework by porting it to QFw, a state-of-the-art quantum-HPC software stack.11This manuscript has been authored by UT-Battelle, LLC, under contract DE-AC05-00OR22725 with the US Department of Energy (DOE). The US government retains and the publisher, by accepting the article for publication, acknowledges that the US government retains a nonexclusive, paid-up, irrevocable, worldwide license to publish or reproduce the published form of this manuscript, or allow others to do so, for US government purposes. DOE will provide public access to these results of federally sponsored research in accordance with the DOE Public Access Plan. This research used resources of the Oak Ridge Leadership Computing Facility at the Oak Ridge National Laboratory, which is supported by the Office of Science of the US DOE under Contract No. DE-AC05-00OR22725.
Quantum linear solvers are well studied as standalone quantum algorithms; however, in hybrid classical-quantum routines, their practical value must be evaluated at the level of the full non-linear application. A central issue is whether the approximation error of the quantum linear solver remains controlled once embedded in a full iterative workflow. We study this question in the context of a hybrid computational fluid dynamics (CFD) scheme. Through numerical simulations, we analyze how an approximate quantum linear solver affects the convergence of the overall CFD iteration. We show that convergence can be preserved for a non-exact quantum solver with only a moderate overhead in iteration count, provided that the high-frequency components of the linear system are resolved with sufficient accuracy. In addition, we develop an approximate qubitization-based solver (Cheb-LCU) that can reduce quantum resource requirements relative to a Quantum Singular Value Transformation (QSVT)-based solver while inducing only a small loss in convergence performance. This claim is demonstrated through explicit implementation and compilation of the quantum algorithms and by examining their impact on the convergence of the full CFD scheme. We find that our approximate approach reduces the required number of single-qubit rotations by over an order of magnitude relative to the QSVT-based solver, while requiring only a modest increase in CFD iteration count.
Variational Quantum Algorithms (VQAs) have emerged as promising methods for tackling complex problems on near-term quantum devices. Among these algorithms, the Variational Quantum Linear Solver (VQLS) addresses linear systems of the form
Ax=b, aiming to prepare a quantum state
∣x⟩ such that
A∣x⟩ is proportional to the quantum state corresponding to
b. A key advantage of VQLS is its use of amplitude encoding, which requires a number of qubits that scales logarithmically with the linear system size. However, the existing literature has primarily focused on linear systems of limited size or with a specific structure. In this study, we extend the application of VQLS to more general and larger problem instances, including problems where state preparation is non-trivial and problems within the real domain of fluid dynamics. Our investigation reveals some critical challenges inherent to VQLS, including the need for a sufficiently expressive ansatz, the large number of circuit executions required to estimate the cost function, and the high gate count in the circuits in the most general setting. Our analysis highlights the obstacles that need to be addressed for a broader application of VQLS and concludes that further research is necessary to fully leverage the algorithm's capabilities in addressing real-world problems.
There has been significant progress in the development of quantum algorithms for solving linear systems of equations with a growing body of applications to Computational Fluid Dynamics (CFD) and CFD-like problems. This work extends previous work by developing a non-linear hybrid quantum-classical CFD solver and using it to generate fully converged solutions. The hybrid solver uses the SIMPLE CFD algorithm, which is common in many industrial CFD codes, and applies it to the 2-dimensional lid driven cavity test case. A theme of this work is the classical processing time needed to prepare the quantum circuit with a focus on the decomposition of the CFD matrix into a linear combination of unitaries (LCU). CFD meshes with up to 65x65 nodes are considered with the largest producing a LCU containing 32,767 Pauli strings. A new method for rapidly re-computing the coefficients in a LCU is proposed, although this reduces, rather than eliminates, the classical scaling issues. The quantum linear equation solver uses the Harrow, Hassidim, Lloyd (HHL) algorithm via a state-vector emulator. Test matrices are sampled from the classical CFD solver to investigate the solution accuracy that can be achieved with HHL. For the smallest 5x5 and 9x9 CFD meshes, full non-linear hybrid CFD calculations are performed. The impacts of approximating the LCU and the varying the number of ancilla rotations in the eigenvalue inversion circuit are studied. Preliminary timing results indicate that the classical computer preparation time needed for a hybrid solver is just as important to the achievement of quantum advantage in CFD as the time on the quantum computer. The reported HHL solutions and LCU decompositions provide a benchmark for future research. The CFD test matrices used in this study are available upon request.