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arXiv:2308.01827

Physics-Informed Quantum Machine Learning: Solving nonlinear differential equations in latent spaces without costly grid evaluations

Annie E. Paine, Vincent E. Elfving, Oleksandr Kyriienko

Published Aug 3, 2023• 2 citations
arXivHTMLPDF

Abstract

We propose a physics-informed quantum algorithm to solve nonlinear and multidimensional differential equations (DEs) in a quantum latent space. We suggest a strategy for building quantum models as state overlaps, where exponentially large sets of independent basis functions are used for implicitly representing solutions. By measuring the overlaps between states which are representations of DE terms, we construct a loss that does not require independent sequential function evaluations on grid points. In this sense, the solver evaluates the loss in an intrinsically parallel way, utilizing a global type of the model. When the loss is trained variationally, our approach can be related to the differentiable quantum circuit protocol, which does not scale with the training grid size. Specifically, using the proposed model definition and feature map encoding, we represent function- and derivative-based terms of a differential equation as corresponding quantum states. Importantly, we propose an efficient way for encoding nonlinearity, for some bases requiring only an additive linear increase of the system size $\mathcal{O}(N + p)$ in the degree of nonlinearity $p$. By utilizing basis mapping, we show how the proposed model can be evaluated explicitly. This allows to implement arbitrary functions of independent variables, treat problems with various initial and boundary conditions, and include data and regularization terms in the physics-informed machine learning setting. On the technical side, we present toolboxes for exponential Chebyshev and Fourier basis sets, developing tools for automatic differentiation and multiplication, implementing nonlinearity, and describing multivariate extensions. The approach is compatible with, and tested on, a range of problems including linear, nonlinear and multidimensional differential equations.

DOI
10.48550/arxiv.2308.01827

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Quantum algorithms based on linear-system approaches for solving differential equations demand qubit and precision resources beyond near-term capabilities. To address these challenges, this work proposes a physics-informed quantum machine learning (PIQML) framework with hard constraint embedding, specifically designed for NISQ era. Within this framework, parameterized quantum circuits serve as machine learning models, where the input variable is encoded into a high-dimensional feature space via a Fourier feature map. Subsequently, to eliminate approximation errors in critical physical conditions, the solution is constructed through a rigorously designed function mapper that analytically enforces initial conditions as hard constraints. Crucially, we compute derivatives with respect to the input variable using the parameter-shift rule---a quantum native gradient evaluation technique that avoids classical discretization. Unlike generic loss functions that target abstract data patterns, our loss function focuses on the differential equation residual and reference data. This design ensures that the trained model not only approximates the data but also intrinsically satisfies the physical constraint expressed by the DE itself. Our method is validated on several differential equations, including highly oscillatory ones, demonstrating its capability to tackle challenging nonlinear dynamics. Results demonstrate that our quantum model successfully learns the solution, showing close agreement with a high-precision classical numerical benchmark.
We propose a distinct approach to solving linear and nonlinear differential equations (DEs) on quantum computers by encoding the problem into ground states of effective Hamiltonian operators. Our algorithm relies on constructing such operators in the Chebyshev space, where an effective Hamiltonian is a sum of global differential and data constraints. Once the effective Hamiltonian is formed, solutions of differential equations can be obtained using the ground state preparation techniques (e.g. imaginary-time evolution and quantum singular value transformation), bypassing variational search. Unlike approaches based on discrete grids, the algorithm enables evaluation of solutions beyond fixed grid points and implements constraints in the physics-informed way. Our proposal inherits the best traits from quantum machine learning-based DE solving (compact basis representation, automatic differentiation, nonlinearity) and quantum linear algebra-based approaches (fine-grid encoding, provable speed-up for state preparation), offering a robust strategy for quantum scientific computing in the early fault-tolerant era.
Abstract Chebyshev polynomials have shown significant promise as an efficient tool for both classical and quantum neural networks to solve linear and nonlinear differential equations (DEs). In this work, we adapt and generalize this framework in a quantum machine learning setting for a variety of problems, including the 2D Poisson’s equation, second-order linear DE, system of DEs, nonlinear Duffing and Riccati equation. In particular, we propose in the quantum setting a modified Self-Adaptive Physics-Informed Neural Network approach, where self-adaptive weights are applied to problems with multi-objective loss functions. We further explore capturing correlations in our loss function using a quantum-correlated measurement, resulting in improved accuracy for initial value problems. We analyse also the use of entangling layers and their impact on the solution accuracy for second-order DEs. The results indicate a promising approach to the near-term evaluation of DEs on quantum devices.
We propose a quantum algorithm to solve systems of nonlinear differential equations. Using a quantum feature map encoding, we define functions as expectation values of parametrized quantum circuits. We use automatic differentiation to represent function derivatives in an analytical form as differentiable quantum circuits (DQCs), thus avoiding inaccurate finite difference procedures for calculating gradients. We describe a hybrid quantum-classical workflow where DQCs are trained to satisfy differential equations and specified boundary conditions. As a particular example setting, we show how this approach can implement a spectral method for solving differential equations in a high-dimensional feature space. From a technical perspective, we design a Chebyshev quantum feature map that offers a powerful basis set of fitting polynomials and possesses rich expressivity. We simulate the algorithm to solve an instance of Navier-Stokes equations and compute density, temperature, and velocity profiles for the fluid flow in a convergent-divergent nozzle.
Quantum physics-informed neural networks (QPINNs) have recently emerged as a promising framework for the solution of partial differential equations (PDEs), with several studies reporting improved convergence and accuracy relative to classical physics-informed neural networks (PINNs) at reduced training cost. Motivated by these advances, we introduce geometric quantum physics-informed neural networks (GQPINNs), a symmetry-aware extension of QPINNs in which the geometric structure of the underlying PDE is incorporated directly into the quantum-circuit ansatz. Building on the framework of geometric quantum machine learning, we construct parametrized circuits that encode finite-group and compact Lie-group symmetries as inductive biases through problem-specific equivariant generator sets . Using a twirling-based construction, we derive symmetry-preserving gates that ensure that the model predictions respect the symmetries of the governing equation whenever the boundary and initial data are symmetry compatible. We benchmark GQPINNs against standard QPINNs and symmetry-adapted classical PINN baselines under matched training protocols across a representative set of linear and nonlinear PDEs. Across these benchmarks, GQPINNs achieve improved solution accuracy, as quantified by lower mean absolute error, while requiring substantially fewer trainable parameters. These results identify symmetry-aware quantum-circuit design as an effective route toward improved efficiency and generalization in quantum PDE solvers and provide a systematic framework for incorporating geometric inductive biases into quantum-enhanced scientific machine learning.
Quantum computers have been proposed as a solution for efficiently solving non-linear differential equations (DEs), a fundamental task across diverse technological and scientific domains. However, a crucial milestone in this regard is to design protocols that are hardware-aware, making efficient use of limited available quantum resources. We focus here on promising variational methods derived from scientific machine learning: differentiable quantum circuits (DQC), addressing specifically their cost in number of circuit evaluations. Reducing the number of quantum circuit evaluations is particularly valuable in hybrid quantum/classical protocols, where the time required to interface and run quantum hardware at each cycle can impact the total wall-time much more than relatively inexpensive classical post-processing overhead. Here, we propose and test two sample-efficient protocols for solving non-linear DEs, achieving exponential savings in quantum circuit evaluations. These protocols are based on redesigning the extraction of information from DQC in a ``measure-first" approach, by introducing engineered cost operators similar to the randomized-measurement toolbox (i.e. classical shadows). In benchmark simulations on one and two-dimensional DEs, we report up to ∼\sim∼ 100 fold reductions in circuit evaluations. Our protocols thus hold the promise to unlock larger and more challenging non-linear differential equation demonstrations with existing quantum hardware.