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Algorithms

A Quantum Approach for Exploring the Numerical Results of the Heat Equation

Beimbet Daribayev, Aksultan Mukhanbet, Nurtugan Azatbekuly, Timur Imankulov

Published Jul 25, 2024• 6 citations
Publisher

Abstract

This paper presents a quantum algorithm for solving the one-dimensional heat equation with Dirichlet boundary conditions. The algorithm utilizes discretization techniques and employs quantum gates to emulate the heat propagation operator. Central to the algorithm is the Trotter–Suzuki decomposition, enabling the simulation of the time evolution of the temperature distribution. The initial temperature distribution is encoded into quantum states, and the evolution of these states is driven by quantum gates tailored to mimic the heat propagation process. As per the literature, quantum algorithms exhibit an exponential computational speedup with increasing qubit counts, albeit facing challenges such as exponential growth in relative error and cost functions. This study addresses these challenges by assessing the potential impact of quantum simulations on heat conduction modeling. Simulation outcomes across various quantum devices, including simulators and real quantum computers, demonstrate a decrease in the relative error with an increasing number of qubits. Notably, simulators like the simulator_statevector exhibit lower relative errors compared to the ibmq_qasm_simulator and ibm_osaka. The proposed approach underscores the broader applicability of quantum computing in physical systems modeling, particularly in advancing heat conductivity analysis methods. Through its innovative approach, this study contributes to enhancing modeling accuracy and efficiency in heat conduction simulations across diverse domains.

DOI
10.3390/a17080327

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This paper presents a quantum algorithm for solving the one-dimensional heat equation with Dirichlet boundary conditions. The algorithm utilizes discretization techniques and employs quantum gates to emulate the heat propagation operator. Central to the algorithm is the Trotter–Suzuki decomposition, enabling the simulation of the time evolution of the temperature distribution. The initial temperature distribution is encoded into quantum states, and the evolution of these states is driven by quantum gates tailored to mimic the heat propagation process. As per the literature, quantum algorithms exhibit an exponential computational speedup with increasing qubit counts, albeit facing challenges such as exponential growth in relative error and cost functions. This study addresses these challenges by assessing the potential impact of quantum simulations on heat conduction modeling. Simulation outcomes across various quantum devices, including simulators and real quantum computers, demonstrate a decrease in the relative error with an increasing number of qubits. Notably, simulators like the simulator_statevector exhibit lower relative errors compared to the ibmq_qasm_simulator and ibm_osaka. The proposed approach underscores the broader applicability of quantum computing in physical systems modeling, particularly in advancing heat conductivity analysis methods. Through its innovative approach, this study contributes to enhancing modeling accuracy and efficiency in heat conduction simulations across diverse domains.
Abstract This paper introduces a quantum-enhanced finite element method (FEM) designed for noisy intermediate-scale quantum (NISQ) devices, leveraging variational quantum algorithms (VQAs) to solve engineering partial differential equations. We demonstrate the framework by solving the Euler–Bernoulli beam and the NAFEMS T4 heat transfer problems, which involve Dirichlet, Neumann, and Robin boundary conditions. A key innovation is a ‘set-to-zero’ strategy that incorporates boundary conditions through a correction matrix, K bc , allowing for flexible imposition at any node without domain decomposition. The global stiffness matrix is decomposed into a constant number of Pauli terms, O (1), using the method by Sato et al while boundary terms are handled with a sublinearly scaling partial Pauli measurement technique. The algorithm achieves logarithmic qubit scaling ( n = ⌈ log 2 ⁡ N ⌉ qubits for N degrees of freedom(DOF)) and employs shallow, hardware-efficient circuits with empirically trainable depth for small-scale systems. Validation on the Qiskit statevector simulator shows high accuracy. For the Euler–Bernoulli beam problem with 4 to 64 DOF, the algorithm achieves relative errors of 0.5%–1.5% and fidelities of 0.998–0.999. For the NAFEMS T4 heat transfer benchmark, a 5.4% relative error is observed. The VQA converges robustly within 77–350 iterations, though barren plateaus are a known challenge for scaling to larger systems. This work establishes a scalable framework for quantum FEM, offering a significant memory advantage over classical methods and advancing the potential for quantum-enhanced engineering simulations.
Abstract The extent to which quantum computers can simulate physical phenomena and solve the partial differential equations (PDEs) that govern them remains a central open question. In this work, one of the most fundamental PDEs is addressed: the multidimensional transport equation with space- and time-dependent coefficients. We present a quantum numerical scheme based on three steps: quantum state preparation, evolution, and measurement of relevant observables. The evolution step combines a high-order centered finite difference with a time-splitting scheme based on product formula approximations, also known as Trotterization. We introduce a novel vector-norm analysis and prove that the number of time-steps can be reduced by a factor exponential in the number of qubits, compared with previously established operator-norm analysis. This new scaling significantly reduces the projected computational resources, independently of the circuit implementation of the trotterized evolution operator. We also present efficient quantum circuits based on (sparse) Walsh approximations along with numerical simulations that confirm the predicted vector-norm scaling. We report results on real quantum hardware for the one-dimensional convection equation, and solve a non-linear ordinary differential equation via its associated Liouville equation, a particular case of transport equations. This work provides a practical framework for efficiently simulating transport phenomena on quantum computers, with potential applications in plasma physics, molecular gas dynamics and non-linear dynamical systems, including chaotic systems.
The numerical solution of partial differential equations by discretization techniques is ubiquitous in computational physics. In this work we investigate this approach in the quantum realm by solving the heat equation for a square plate subject to fixed temperatures at the edges and random heat sources and sinks within the domain. The hybrid classical-quantum approach consists of the solution on a quantum computer of the coupled linear system of equations that results from the discretization step. Owing to the limitations on the number of qubits and their connectivity, we use the Gauss-Seidel method to divide the full system of linear equations into subsystems, which are solved iteratively in block fashion. Each of the linear subsystems was solved using 2000Q and Advantage quantum computers developed by D-Wave Systems Inc. By comparing classical numerical and quantum solutions, we observe that the errors and chain break fraction are, on average, greater on the 2000Q system. Unlike in the classical Gauss-Seidel method, the errors of the quantum solutions level off after a few iterations of our algorithm. This is partly a result of the span of the real-number line available from the mapping of the chosen size of the set of qubit states. We verified this by using techniques to progressively shrink the range mapped by the set of qubit states at each iteration (increasing floating-point accuracy). As a result, no leveling off is observed. However, an increase in qubits does not translate to an overall lower error. This is believed to be indicative of the increasing length of chains required for the mapping to real numbers and the ensuing limitations of hardware.
Abstract This work presents a fully quantum implementation of the Quantum Lattice Boltzmann Method (QLBM) for simulating one-dimensional heat conduction with internal heat generation. Building on the classical Lattice Boltzmann framework, QLBM reformulates the collision and streaming steps as unitary operations on quantum circuits, enabling site-wise parallel updates on near-term quantum hardware. In this formulation, classical distribution functions are encoded into quantum amplitudes, and the evolution of the system is performed entirely through quantum gates, including a collision operator and a streaming step realized as a qubit permutation. The model is validated by simulating a canonical diffusion problem with a localized heat source, and results are benchmarked against both classical LBM and an analytical solution obtained via ODE integration. The impact of quantum sampling noise is systematically assessed by varying the number of measurement shots, revealing that higher shot counts significantly improve fidelity to classical results. Root-mean-square error (RMSE) analyses confirm that the fully quantum model accurately captures the spatiotemporal behavior of the system, demonstrating the viability of QLBM for modeling nonunitary physics in thermally driven systems.
This work presents a novel approach for simulating electromagnetic (EM) wave propagation by leveraging quantum computing techniques. By reformulating Maxwell's equations through the Riemann-Silberstein formalism, we cast the problem into a Schrödinger-like framework, enabling the application of Hamiltonian simulation methods. In particular, we employ the Trotter-Suzuki decomposition to approximate the time evolution operator, facilitating efficient quantum simulation of EM wave generated by a Gaussian pulse propagating within a two-dimensional metallic cavity. Our results illustrate the potential of quantum algorithms to address complex electrodynamics problems, offering promising avenues for future advancements in electromagnetics engineering.
We propose a variational alternative to the Trotter-Suzuki decomposition that provides greater control over errors while preserving the unitary structure of time evolution. The variational parameters in our ansatz are derived from a global action principle, where Euler-Lagrange equations govern their optimal dynamics. Unlike conventional wavefunction-based variational methods, our approach specifically targets the time evolution operation and this allows a single set of optimized parameters to be applied to any initial state for a fixed Hamiltonian avoiding costly optimization procedures. Our method outperforms the standard Trotter-Suzuki formulas, typically achieving higher accuracy than higher-order Suzuki schemes. This translates directly to quantum computing applications, where it enables the design of quantum circuits with fewer gates which reduces noise and improves precision. Although we focus on quantum dynamics, the method is broadly applicable to problems involving general time-evolution operators. Applied to various model Hamiltonians, our approach reduces errors by factors of 2 to 5 compared to Trotter-Suzuki decompositions, demonstrating its promise for accurate quantum simulation with improved efficiency. In certain cases, the variational ansatz achieves higher accuracy than more complex higher-order Suzuki formulas while reducing the gate count by nearly half within a single circuit layer. Furthermore, we derive approximate analytical expressions for the variational parameters up to cubic order in time, valid for generic Hamiltonians. These approximations enable long-time quantum simulations with improved accuracy over equivalent Suzuki decompositions, providing ready-to-use evolution formulas that match Suzuki's gate complexity while delivering better performance.