In solid mechanics, finite element discretization of large-scale static problems produces large sparse linear systems whose solution requires substantial computation time and memory. The variational quantum linear solver (VQLS) offers a hybrid quantum-classical route, but its use in quantum finite element analysis is limited by the decomposition of nonunitary matrices, barren plateaus, and the measurement cost of expectation values. We propose a voxel-based block variational quantum linear solver (Voxel-BVQLS) that combines structured matrix decomposition, the principle of minimum potential energy, and batched quantum tests. First, we construct an LCU decomposition of the stiffness matrix from the recursive block-banded structure of voxel-grid finite element matrices, with the number of unitary terms bounded independently of the problem size. Second, we optimize the ansatz parameters using a minimum-potential-energy objective in place of a conventional VQLS loss function, thereby mitigating barren plateaus in the studied problems. Third, we introduce a block-Hadamard test whose circuit directly estimates weighted sums of multiple inner products, reducing the number of circuit configurations required per iteration. We assessed the proposed method in noiseless classical simulations using three examples. These examples show that the method reduces both the number of unitary terms in the LCU decomposition and the number of iterations required to converge, while still yielding solutions of finite accuracy. Voxel-BVQLS thus provides a structured hybrid quantum-classical framework for quantum finite element analysis on regular grids.
This manuscript presents the Quantum Finite Element Method (Q-FEM) developed for use in noisy intermediate-scale quantum (NISQ) computers and employs the variational quantum linear solver (VQLS) algorithm. The proposed method leverages the classical FEM procedure to perform the unitary decomposition of the stiffness matrix and employs generator functions to design explicit quantum circuits corresponding to the unitaries. Q-FEM keeps the structure of the finite element discretization intact allowing for the use of variable element lengths and material coefficients in FEM discretization. The proposed method is tested on a steady-state heat equation discretized using linear and quadratic shape functions. Numerical verification studies are performed on the IBM QISKIT simulator and it is demonstrated that Q-FEM is effective in converging to the correct solution for a variety of problems and model discretizations, including with different element lengths, variable coefficients, and different boundary conditions. The formalism developed herein is general and can be extended to problems with higher dimensions. However, numerical examples also demonstrate that the number of parameters for the variational ansatz scale exponentially with the number of qubits, and increases the odds of convergence. Moreover, the deterioration of system conditioning with problem size results in barren plateaus and convergence difficulties.
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.
We develop a novel approach for efficiently applying the variational quantum linear solver (VQLS) in the context of structured sparse matri-ces. Such matrices frequently arise during numerical solution of partial differential equations which are ubiquitous in science and engineering. Conventionally, Pauli basis is used for the linear combination of uni-taries (LCU) decomposition of the underlying matrix to facilitate evaluation of the global/local VQLS cost functions. However, the number of LCU terms can scale quadratically with respect to the matrix size
Nin the worst case. Using the heat equation as an example, we show that by using an alternate basis one can better exploit the sparsity and underlying structure of matrix leading to number of tensor product terms which scale only logarithmically with respect to the matrix size. Given this new basis is comprised of non-unitary operators, we employ the concept of unitary completion to design efficient quantum circuits for computing the global/local VQLS cost functions. With one additional
n- Toffoli gate (where,
n=logN) and one ancilla qubit, our method could provide an exponential time advantage over conventionally used Pauli basis for some applications. We perform a rigorous analysis of our approach and compare with other related concepts in literature including unitary dilation and Bell basis measurement, and discuss its pros/cons.
Finite-element methods are industry standards for finding numerical solutions to partial differential equations. However, the application scale remains pivotal to the practical use of these methods, even for modern-day supercomputers. Large, multi-scale applications, for example, can be limited by their requirement of prohibitively large linear system solutions. It is therefore worthwhile to investigate whether near-term quantum algorithms have the potential for offering any kind of advantage over classical linear solvers. In this study, we investigate the recently proposed variational quantum linear solver (VQLS) for discrete solutions to partial differential equations. This method was found to scale polylogarithmically with the linear system size, and the method can be implemented using shallow quantum circuits on noisy intermediate-scale quantum (NISQ) computers. Herein, we utilize the hybrid VQLS to solve both the steady Poisson equation and the time-dependent heat and wave equations.
Quantum computing presents a promising method to overcome the efficiency and memory constraints in large-scale mechanical problems, with numerous successful applications demonstrated in fluid mechanics. However, solid mechanics problems usually require irregular grids for spatial discretization, due to the Lagrange formulations and complex boundaries, which makes the quantum simulation of the system matrix, e.g., the mass or stiffness matrix which is often referred to as the Hamiltonian in quantum computing, difficult to be effectively conducted. This study proposes a voxel-based quantum computing method (VBQC) for the quantum simulation of Hamiltonians in solid mechanics. VBQC applies voxel grids to discretize the spatial domain, thereby enabling the system matrix to exhibit the tridiagonal fractal property. Based on this property, the system matrix can be decomposed into three groups of fundamental matrices,
kn,
cn, and
qn. This decomposition process is referred to as the KCQ decomposition. By integrating the KCQ decomposition with the quantum Fourier transform and the quantum multiplexer, VBQC enables efficient quantum simulation of Hamiltonians in solid mechanics. Three specific solid problems with different dimensions and numbers of variables are applied to preliminarily verify the correctness of the proposed VBQC for solid mechanics problems.
We present a variational quantum linear solver (VQLS) for the Poisson equation built on an exact block encoding of the discrete Laplacian, and demonstrate its performance on physically motivated benchmarks. Unlike LCU-based VQLS where the number of distinct circuits required per cost-function evaluation is
O(L2), where
L is the number of terms in the LCU decomposition of the discrete Laplacian operator, this approach requires only a single circuit for cost evaluation. We further empirically demonstrate that the choice of classical optimizer materially affects where the variational optimization ceases to make progress. The solver is benchmarked on three problems: a Poisson equation with sinusoidal forcing and a steady-state heat conduction problem with a localized Gaussian source, both with Dirichlet boundaries, and the pressure-Poisson equation of a two-dimensional lid-driven cavity flow, in which the solver is invoked once per time step under Neumann boundary conditions.