The solution of large sparse linear systems via factorization methods such as LU or Cholesky decomposition, can be computationally expensive due to the introduction of non-zero elements, or “fill-in.” Graph partitioning can be used to reduce the “fill-in,” thereby speeding up the solution of the linear system. We introduce a quantum approach to the graph partitioning problem based on variational quantum imaginary time evolution (VarQITE). We develop a hybrid quantum/classical method to accelerate Finite Element Analysis (FEA) by using VarQITE in Ansys's LS-DYNA multiphysics simulation software. This allows us to study different types of FEA problems, from mechanical engineering to computational fluid dynamics in simulations and on quantum hardware (IonQ Aria and IonQ Forte). We demonstrate that VarQITE has the potential to impact LSDYNA workflows by measuring the wall-clock time to solution of FEA problems. We report performance results for our hybrid quantum/classical workflow on selected FEA problem instances, including simulation of blood pumps, automotive roof crush, and vibration analysis of car bodies on meshes of up to six million elements. We find that the LS-DYNA wall clock time can be improved by up to 12% for some problems. Finally, we introduce a classical heuristic inspired by Fiduccia-Mattheyses to improve the quality of VarQITE solutions obtained from hardware runs. Our results highlight the potential impact of quantum computing on large-scale FEA problems in the NISQ era.
The solution of large sparse linear systems via factorization methods such as LU or Cholesky decomposition, can be computationally expensive due to the introduction of non-zero elements, or “fill-in.” Graph partitioning can be used to reduce the “fill-in,” thereby speeding up the solution of the linear system. We introduce a quantum approach to the graph partitioning problem based on variational quantum imaginary time evolution (VarQITE). We develop a hybrid quantum/classical method to accelerate Finite Element Analysis (FEA) by using VarQITE in Ansys's LS-DYNA multiphysics simulation software. This allows us to study different types of FEA problems, from mechanical engineering to computational fluid dynamics in simulations and on quantum hardware (IonQ Aria and IonQ Forte). We demonstrate that VarQITE has the potential to impact LSDYNA workflows by measuring the wall-clock time to solution of FEA problems. We report performance results for our hybrid quantum/classical workflow on selected FEA problem instances, including simulation of blood pumps, automotive roof crush, and vibration analysis of car bodies on meshes of up to six million elements. We find that the LS-DYNA wall clock time can be improved by up to 12% for some problems. Finally, we introduce a classical heuristic inspired by Fiduccia-Mattheyses to improve the quality of VarQITE solutions obtained from hardware runs. Our results highlight the potential impact of quantum computing on large-scale FEA problems in the NISQ era.
Solving large-scale sparse linear systems is a challenging computational task due to the introduction of non-zero elements, or "fill-in". The Graph Partitioning Problem (GPP) arises naturally when minimizing fill-in and accelerating solvers. In this paper, we measure the end-to-end performance of a hybrid quantum-classical framework designed to accelerate Finite Element Analysis (FEA) by integrating a quantum solver for GPP into Synopsys/Ansys' LS-DYNA multiphysics simulation software. The quantum solver we use is based on Iterative-QAOA, a scalable, non-variational quantum approach for optimization. We focus on two specific classes of FEA problems, namely vibrational (eigenmode) analysis and transient simulation. We report numerical simulations on up to 150 qubits done on NVIDIA's CUDA-Q/cuTensorNet and implementation on IonQ's Forte quantum hardware. The potential impact on LS-DYNA workflows is quantified by measuring the wall-clock time-to-solution for complex problem instances, including vibrational analysis of large finite element models of a sedan car and a Rolls-Royce jet engine, as well as transient simulations of a drill and an impeller. We performed end-to-end performance measurements on meshes comprising up to 35 million elements. Measurements were conducted using LS-DYNA in distributed-memory mode via Message Passing Interface (MPI) on AWS and Synopsys compute clusters. Our findings indicate that with a quantum computer in the loop, amortized LS-DYNA wall-clock time can be improved by up to 14.6% for specific cases and by at least 5.9% for all models considered. These results highlight the significant potential of quantum computing to reduce time-to-solution for large-scale FEA simulations within the Noisy Intermediate-Scale Quantum (NISQ) era, offering an approach that is scalable and extendable into the fault-tolerant quantum computing regime.
Maxwells equations are fundamental to our understanding of electromagnetic fields, but their solution can be computationally demanding, even for high-performance computing clusters. Quantum computers offer a promising alternative for solving these equations, as they can simulate larger and more complex systems more efficiently both in time and resources. In this paper we investigate the potential of using the variational quantum imaginary time evolution (VarQITE) algorithm on near-term quantum hardware to solve for the Maxwells equations. Our objective is to analyze the trade-off between the accuracy of the simulated fields and the depth of the quantum circuit required to implement the VarQITE algorithm. We demonstrate that VarQITE can efficiently approximate the solution of these equations with high accuracy, and show that its performance can be enhanced by optimizing the quantum circuit depth. Our findings suggest that VarQITE on near-term quantum devices could provide a powerful tool for solving PDEs in electromagnetics and other fields.
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.
Solving combinatorial optimization problems using variational quantum algorithms (VQAs) has emerged as a promising research direction. Since the introduction of the Quantum Approximate Optimization Algorithm (QAOA), numerous variants have been proposed to enhance its performance. QAOA was later extended to the Quantum Alternating Operator Ansatz (QAOA+), which generalizes the initial state, phase-separation operator, and mixer to address constrained problems without relying on the standard Quadratic Unconstrained Binary Optimization (QUBO) formulation. However, QAOA+ often requires additional ancilla qubits and a large number of multi-controlled Toffoli gates to prepare the superposition of feasible states, resulting in deep circuits that are challenging for near-term quantum devices. Furthermore, VQAs are generally hindered by issues such as barren plateaus and suboptimal local minima. Recently, Quantum Imaginary Time Evolution (QITE), a groundstate preparation algorithm, has been explored as an alternative to QAOA and its variants. QITE has demonstrated improved performance in quantum chemistry problems and has been applied to unconstrained combinatorial problems such as MaxCut. In this work, we apply the variational form of QITE (VarQITE) to solve the Multiple Knapsack Problem (MKP), a constrained problem, using a Max-Cut-tailored ansatz. To the best of our knowledge, this is the first attempt to address constrained optimization using VarQITE. We show that VarQITE achieves significantly lower mean optimality gaps compared to QAOA and other conventional methods. Moreover, we demonstrate that scaling the Hamiltonian coefficients can further reduce optimization costs and accelerate convergence.
Quantum systems in excited states are attracting significant interest with the advent of noisy intermediate-scale quantum (NISQ) devices. While ground states of small molecular systems are typically explored using hybrid variational algorithms like the variational quantum eigensolver (VQE), the study of excited states has received much less attention, partly due to the absence of efficient algorithms. In this work, we introduce the subspace search quantum imaginary time evolution (SSQITE) method, which calculates excited states using quantum devices by integrating key elements of the subspace search variational quantum eigensolver (SSVQE) and the variational quantum imaginary time evolution (VarQITE) method. The effectiveness of SSQITE is demonstrated through calculations of low-lying excited states of benchmark model systems including H 2 and LiH molecules. A toy Hamiltonian is also employed to demonstrate that the robustness of VarQITE in avoiding local minima extends to its use in excited state algorithms. With this robustness in avoiding local minima, SSQITE shows promise for advancing quantum computations of excited states across a wide range of applications.
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.