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Frontiers in Mechanical Engineering

Investigating hardware acceleration for simulation of CFD quantum circuits

Youssef Moawad, Wim A. Vanderbauwhede, R. Steijl

Published Oct 4, 2022• 18 citations
Publisher

Abstract

Among the many computational models for quantum computing, the Quantum Circuit Model is the most well-known and used model for interacting with current quantum hardware. The practical implementation of quantum computers is a very active research field. Despite this progress, access to physical quantum computers remains relatively limited. Furthermore, the existing machines are susceptible to random errors due to quantum decoherence, as well as being limited in number of qubits, connectivity and built-in error correction. Simulation on classical hardware is therefore essential to allow quantum algorithm researchers to test and validate new algorithms in a simulated-error environment. Computing systems are becoming increasingly heterogeneous, using a variety of hardware accelerators to speed up computational tasks. One such type of accelerators, Field Programmable Gate Arrays (FPGAs), are reconfigurable circuits that can be programmed using standardized high-level programming models such as OpenCL and SYCL. FPGAs allow to create specialized highly-parallel circuits capable of mimicking the quantum parallelism properties of quantum gates, in particular for the class of quantum algorithms where many different computations can be performed concurrently or as part of a deep pipeline. They also benefit from very high internal memory bandwidth. This paper focuses on the analysis of quantum algorithms for applications in computational fluid dynamics. In this work we introduce novel quantum-circuit implementations of model lattice-based formulations for fluid dynamics, specifically the D1Q3 model using quantum computational basis encoding, as well as, efficient simulation of the circuits using FPGAs. This work forms a step toward quantum circuit formulation of the Lattice Boltzmann Method (LBM). For the quantum circuits implementing the nonlinear equilibrium distribution function in the D1Q3 lattice model, it is shown how circuit transformations can be introduced that facilitate the efficient simulation of the circuits on FPGAs, exploiting their fine-grained parallelism. We show that these transformations allow us to exploit more parallelism on the FPGA and improve memory locality. Preliminary results show that for this class of circuits the introduced transformations improve circuit execution time. We show that FPGA simulation of the reduced circuits results in more than 3× improvement in performance per Watt compared to the CPU simulation. We also present results from evaluating the same kernels on a GPU.

DOI
10.3389/fmech.2022.925637

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Among the many computational models for quantum computing, the Quantum Circuit Model is the most well-known and used model for interacting with current quantum hardware. The practical implementation of quantum computers is a very active research field. Despite this progress, access to physical quantum computers remains relatively limited. Furthermore, the existing machines are susceptible to random errors due to quantum decoherence, as well as being limited in number of qubits, connectivity and built-in error correction. Simulation on classical hardware is therefore essential to allow quantum algorithm researchers to test and validate new algorithms in a simulated-error environment. Computing systems are becoming increasingly heterogeneous, using a variety of hardware accelerators to speed up computational tasks. One such type of accelerators, Field Programmable Gate Arrays (FPGAs), are reconfigurable circuits that can be programmed using standardized high-level programming models such as OpenCL and SYCL. FPGAs allow to create specialized highly-parallel circuits capable of mimicking the quantum parallelism properties of quantum gates, in particular for the class of quantum algorithms where many different computations can be performed concurrently or as part of a deep pipeline. They also benefit from very high internal memory bandwidth. This paper focuses on the analysis of quantum algorithms for applications in computational fluid dynamics. In this work we introduce novel quantum-circuit implementations of model lattice-based formulations for fluid dynamics, specifically the D1Q3 model using quantum computational basis encoding, as well as, efficient simulation of the circuits using FPGAs. This work forms a step toward quantum circuit formulation of the Lattice Boltzmann Method (LBM). For the quantum circuits implementing the nonlinear equilibrium distribution function in the D1Q3 lattice model, it is shown how circuit transformations can be introduced that facilitate the efficient simulation of the circuits on FPGAs, exploiting their fine-grained parallelism. We show that these transformations allow us to exploit more parallelism on the FPGA and improve memory locality. Preliminary results show that for this class of circuits the introduced transformations improve circuit execution time. We show that FPGA simulation of the reduced circuits results in more than 3× improvement in performance per Watt compared to the CPU simulation. We also present results from evaluating the same kernels on a GPU.
The application of Quantum Computing (QC) to fluid dynamics simulation has developed into a dynamic research topic in recent years. With many flow problems of scientific and engineering interest requiring large computational resources, the potential of QC to speed-up simulations and facilitate more detailed modeling forms the main motivation for this growing research interest. Despite notable progress, many important challenges to creating quantum algorithms for fluid modeling remain. The key challenge of non-linearity of the governing equations in fluid modeling is investigated here in the context of lattice-based modeling of fluids. Quantum circuits for the D1Q3 (one-dimensional, three discrete velocities) Lattice Boltzmann model are detailed along with design trade-offs involving circuit width and depth. Then, the design is extended to a one-dimensional lattice model for the non-linear Burgers equation. To facilitate the evaluation of non-linear terms, the presented quantum circuits employ quantum computational basis encoding. The second part of this work introduces a novel, modular quantum-circuit implementation for non-linear terms in multi-dimensional lattice models. In particular, the evaluation of kinetic energy in two-dimensional models is detailed as the first step toward quantum circuits for the collision term of two- and three-dimensional Lattice Boltzmann methods. The quantum circuit analysis shows that with O(100) fault-tolerant qubits, meaningful proof-of-concept experiments could be performed in the near future.
Abstract This paper presents a field-programmable gate array (FPGA) implementation of a quantum circuit simulator capable of processing 30-qubit systems, representing over 1.07 billion quantum states stored in 8 GB of memory. Built on the Xilinx Alveo U55C platform with High Bandwidth Memory (HBM) technology, our system demonstrates deterministic performance through a 16-bank parallel memory distribution architecture integrated with the Qiskit quantum computing framework. We achieved complete verification across all qubit configurations from 1 to 30 qubits, with execution times ranging from 5 milliseconds to approximately 49 minutes. The simulator supports a comprehensive quantum gate library including single-qubit operations (Hadamard, Pauli gates, rotation gates) and multi-qubit gates (CNOT, controlled-Z, Toffoli. Our performance analysis reveals distinct operational regimes where FPGA excels for small-scale circuits (1-12 qubits) but faces scalability challenges beyond 15 qubits when compared to GPU architectures. This work establishes FPGA as a practical platform for quantum algorithm development and circuit verification, particularly valuable for applications requiring deterministic timing and energy-efficient computation. The architecture provides clear pathways for expansion to 31+ qubits through memory configuration enhancements.
Classical computational fluid dynamics (CFD) methods encounter significant computational bottlenecks in large systems and at high Reynolds number flows due to the rapid increase in degrees of freedom, even on flagship supercomputers. As quantum computers emerge, the Quantum Lattice Boltzmann Method (QLBM) has been proposed as a quantum-native alternative for solving fluid dynamics problems. However, until recently, nearly all studies have relied on classical quantum simulators rather than real quantum hardware. This study presents a benchmark of a one-dimensional QLBM implementation executed on three different IBM Quantum hardware. We design and test a quantum circuit for the advection-diffusion equation using amplitude encoding, a Bhatnagar-Gross-Krook (BGK)-type collision operator, and a streaming step with periodic boundary conditions. Our numerical experiments evaluate transpiled two-qubit gate count, total circuit depth, runtime, and accuracy metrics including maximum absolute error (L∞L_\inftyL∞​ norm) and root-mean-square error (RMSE). We find that the present collision and streaming operators dominate the overall cost and become the primary scalability bottleneck on current hardware. To mitigate the prohibitive cost of full quantum state tomography on hardware-based benchmarking exercises, we introduce a sampler-based measurement strategy that reconstructs macroscopic density fields directly from computational-basis measurements. This approach substantially reduces measurement overhead while preserving the expected advection-diffusion dynamics on hardware. These results provide a quantitative assessment of QLBM performance in the noisy intermediate-scale quantum (NISQ) regime and identify the principal algorithmic and experimental limitations that must be addressed for QLBM to become viable for fluid dynamics.
Fluid simulations, especially at high Reynolds numbers, are computationally expensive on classical computers, making them promising application targets for quantum computing. Recent studies have combined the lattice Boltzmann method (LBM) with Carleman linearization to design quantum algorithms for computational fluid dynamics (CFD). However, practical quantum-circuit implementations of these algorithms that incorporate non-periodic boundary conditions have not been fully explored. In this work, we implement a quantum algorithm for two-dimensional linearized fluid flow around an obstacle, using block-encoding of the linear-system matrix and quantum singular value transformation (QSVT) to solve it. Inflow, outflow, and no-slip boundary conditions are formulated as sparse matrix operations and efficiently embedded into quantum circuits using index-value encoding. We demonstrate logarithmic scaling of the required numbers of qubits and gates with respect to the number of lattice points, suggesting the potential feasibility of quantum-computational fluid dynamics simulations.
In the last few years, quantum computing has evolved as the next big technological breakthrough. Many big companies are actively researching this area and have built open-source frameworks which can be used to develop solutions for problems that connect be solved by classical computers. One such problem is the solution of Navier-Stokes equations which takes exponential time for simulation but using quantum computers, they can be solved in polynomial time. But the current state of quantum computation does not enable everyone to test their implementation on a real quantum computer. In this situation, a simulator enables rapid prototype and testing techniques and algorithms for when the real quantum computer is ready. This paper focuses on simulating fluid flow algorithms using a quantum framework, such as Navier- Stokes equations, with the lattice Boltzmann method (LBM) used to numerically solve the relevant system of equations on both CPU and GPU to speed up the process. The quantum framework used in this paper is Qiskit, an open-source software development kit created by IBM that allows developers to create and test quantum algorithms. NVIDIA cuQuantum is an SDK of optimized libraries and tools for expediting quantum computing operations used in this paper to solve the fundamental problem of modeling large-size quantum circuits using the power of GPU
With rapid advancement in quantum computing technology, continuous efforts are being directed to simulation and emulation of quantum algorithms on classical platforms. A well-known limitation to classical emulation of quantum circuits is scalability. Existing hardware emulators implement gate-based circuit models of quantum circuits that result in heavy resource utilization and degrade the scalability of the system. Also, current quantum emulation hardware use fixedpoint arithmetic, which has an adverse effect on accuracy when the system is scaled up. In this work, we employ a complexmultiply-and-accumulate (CMAC) and lookup-based emulation approach that greatly reduces resource utilization and improves system scalability in terms of number of emulated qubits. We demonstrate emulation of up to 16 fully-entangled qubits which is highest among existing work. We design fully-pipelined, highthroughput hardware architectures that use floating-point precision for higher accuracy. Experimental evaluation and analysis of the architectures in terms of speed and area is also provided. The emulator is prototyped on a high-performance reconfigurable computing (HPRC) system and our results demonstrate quantitative improvement over existing Field-Programmable-Gate-Array (FPGA)-based hardware emulators.