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Applied Sciences

Quantum Circuit Implementation of Multi-Dimensional Non-Linear Lattice Models

R. Steijl

Published Dec 30, 2022• 15 citations
Publisher

Abstract

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.

DOI
10.3390/app13010529

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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.
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.
Quantum computing (QC) has emerged as a potential computational tool in fluid dynamics. However, a practical QC protocol with end-to-end practical applications to fluid flow is still in nascent. We here propose a simple and practical hybrid QC algorithm based on lattice Boltzmann methods (LBM), which we term HQLBM, for fluid dynamics simulations. The existing QC-based LBMs are limited to simple low-Reynolds-number flow simulations due to their disability to handle the nonlinear collision term in LBM for QC. In this work, a linearized non-equilibrium collision, derived from kinetic theory, is presented for HQLBM simulating practical flows. The present approach ensures the unitary of quantum algorithms while keeping the collision relaxation parameter adjustable for simulating different Reynolds number flows. Most importantly, the linearized collision keeps the accuracy of the original nonlinear one in the lattice Boltzmann equation when it theoretically recovers its macroscopic counterpart—Navier–Stokes equations. The practicality of the proposed method is demonstrated by simulating two typical flows, including lid-driven and natural convection flows in a square cavity at different Reynolds and Rayleigh numbers, respectively. It is shown that the proposed HQLBM has good numerical accuracy compared to the conventional LBM, and lower complexity on comparisons to the QC-based LBM carried out on single-circuit QC even when it is performed on a Qiskit virtual quantum computer. This work offers a practical application of QC-based LBM for complex fluid dynamics problems.
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.
As the energy sector transitions towards more sustainable forms of energy production, classical Computational Fluid Dynamics (CFD) increasingly struggles with the bottle- necks of simulating high complexity turbulent flows. While quantum computing (QC) theoretically offers an exponential speedup for large-scale linear systems, current Noisy Intermediate-Scale Quantum (NISQ) hardware lacks the error correction required for deep and complex circuits that mathematically ideal algorithms require. Furthermore, the inherent linearity of quantum mechanics seriously impedes the solving non-linear partial differential equations (PDEs), which are critical for fluid modeling. To bridge thisgap, thisthesisevaluatestheVariationalQuantumLinearSolver(VQLS),a shallow- circuit, hybrid algorithm, applied to the 1D viscous Burgers’ equation while utilizing the Cole-Hopf transformation to analytically linearize the equation. In both simulated and actual hardware, the VQLS algorithm is implemented across increasingly scaled topographies (2, 4, and 8 qubits). This work intends to identify the limitations of implementing quantum fluid dynamics in near-term quantum hardware.
Quantum computation of fluid dynamics has attracted growing attention as a key application of fault-tolerant quantum computers anticipated in the coming decade, with lattice Boltzmann methods emerging as a particularly promising approach. Explicit and efficient elementary-gate-level circuit simulations, however, have so far been demonstrated only in the linear case. Here we include the leading nonlinearity through second-order Carleman linearization of the one-dimensional Boltzmann equation, and demonstrate, via explicit quantum-circuit simulation, the preparation of the final-time state using a Taylor-expansion-based ODE solver based on the quantum singular value transformation. With this construction, we analyze the gate and qubit complexities, which scale logarithmically with the grid size, the nonlinearity captured by the higher-order Carleman linearization, and the practical utility of higher-order expansions in the Taylor ODE solver. The construction provides a concrete baseline for computational cost reduction and further developments such as extensions to higher dimensions, complex geometries, and the extraction of physical quantities, towards industrially useful quantum CFD.
We present a quantum computing algorithm for fluid flows based on the Carleman-linearization of the Lattice Boltzmann (LB) method. First, we demonstrate the convergence of the classical Carleman procedure at moderate Reynolds numbers, namely, for Kolmogorov-like flows. Then we proceed to formulate the corresponding quantum algorithm, including the quantum circuit layout, and analyze its computational viability. We show that, at least for moderate Reynolds numbers between 10 and 100, the Carleman–LB procedure can be successfully truncated at second order, which is a very encouraging result. We also show that the quantum circuit implementing the single time-step collision operator has a fixed depth, regardless of the number of lattice sites. However, such depth is of the order of ten thousands quantum gates, meaning that quantum advantage over classical computing is not attainable today, but could be achieved in the near or mid-term future. The same goal for the multi-step version remains, however, an open topic for future research.