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Shiying Xiong

Publications and source records attributed to Shiying Xiong.

16 recordsLinked to original sources

Local gradient neural operator

Field temporal prediction and source identification constitute canonical problems in dynamical systems. Conventional approaches to these problems depend on a thorough understanding of the governing partial differential equations (PDEs). Recently, deep learning, as represented by neural operators, has provided a data-driven paradigm for addressing such tasks. However, most existing global neural operators for PDEs require large training datasets and many learnable parameters, with limited interpretability and generalization. We propose the local gradient neural operator (LGNO) as a lightweight and interpretable alternative for field temporal evolution prediction and source identification in typical mechanical problems. The method builds on priors from nonlinear gradient discretization and uses multilayer perceptron convolutional layers to learn translation-invariant local kernels that resemble discrete stencils. A zero consistent stencil factorization separates coefficient learning from field reconstruction, rendering the learned operators more transparent. For problems with symmetries, network folding shares equivalent components and reduces parameter counts. We evaluate the method on PDE benchmarks covering linear and nonlinear, static and dynamic, and low and high dimensional cases. Results show that LGNO maintains accuracy, parameter efficiency, and rollout stability across these tasks, and further exhibits wide applicability to mechanical problems including diffusion, flow, and quantum phenomena.

cs.LG

Efficient quantum state tomography with Chebyshev polynomials

Quantum computing shows promise for addressing computationally intensive problems but is constrained by the exponential resource requirements of general quantum state tomography (QST), which fully characterizes quantum states through parameter estimation. We introduce the QST with Chebyshev polynomials, an approximate tomography method for pure quantum states encoding complex-valued functions. This method reformulates tomography as the estimation of Chebyshev expansion coefficients, expressed as inner products between the target quantum state and Chebyshev basis functions, measured using the Hadamard test circuit. By treating the truncation order of the Chebyshev polynomials as a controllable parameter, the method provides a practical balance between efficiency and accuracy. For quantum states encoding functions dominated by large-scale features, such as those representing fluid flow fields, appropriate truncation enables faithful reconstruction of the dominant components via quantum circuits with linear depth, while keeping both measurement repetitions and post-processing independent of qubit count, in contrast to the exponential scaling of full measurement-based QST methods. Validation on analytic functions and numerically generated flow-field data demonstrates accurate reconstruction and effective extraction of large-scale features, indicating the method's suitability for systems governed by macroscopic dynamics.

quant-ph

Quantum implicit representation of vortex filaments in turbulence

Entangled vortex filaments are essential to turbulence, serving as coherent structures that govern nonlinear fluid dynamics and support the reconstruction of fluid fields to reveal statistical properties. This study introduces an quantum implicit representation of vortex filaments in turbulence, employing a level-set method that models the filaments as the intersection of the real and imaginary zero iso-surfaces of a complex scalar field. Describing the fluid field via the scalar field offers distinct advantages in capturing complex structures, topological properties, and fluid dynamics, while opening new avenues for innovative solutions through quantum computing platforms. The representation is reformulated into an eigenvalue problem for Hermitian matrices, enabling the conversion of velocity fields into complex scalar fields that embed the vortex filaments. The resulting optimization is addressed using a variational quantum eigensolver, with Pauli operator truncation and deep learning techniques applied to improve efficiency and reduce noise. The proposed quantum framework achieves a near-linear time complexity and a exponential storage reduction while maintaining a balance of accuracy, robustness, and versatility, presenting a promising tool for turbulence analysis, vortex dynamics research, and machine learning dataset generation.

physics.flu-dyn

A multi-ansatz variational quantum solver for compressible flows

Simulating nonlinear partial differential equations (PDEs) such as the Navier--Stokes (NS) equations remains computationally intensive, especially when implicit time integration is used to capture multiscale flow dynamics. This work introduces a hybrid quantum--classical framework for solving the linear systems arising from such implicit schemes in compressible flow simulations. At its core is a variational quantum linear solver (VQLS) enhanced by a multi-ansatz tree architecture, designed to expand the accessible solution space and alleviate training issues such as barren plateaus. The proposed method is evaluated through one-dimensional shock tube simulations implemented on a quantum virtual machine. Results demonstrate that the solver accurately captures shock, rarefaction, and contact discontinuities across a range of test cases. Parametric studies further show that increasing the number of ansatz branches and applying domain decomposition improves convergence and stability, even under limited qubit resources. These findings suggest that multi-ansatz VQLS architectures offer a promising pathway for incorporating quantum computing into computational fluid dynamics (CFD), with compatibility for both current noisy intermediate-scale quantum (NISQ) hardware and future fault-tolerant devices.

physics.flu-dyn

Simulating fluid vortex interactions on a superconducting quantum processor

Vortex interactions are commonly observed in atmospheric turbulence, plasma dynamics, and collective behaviors in biological systems. However, accurately simulating these complex interactions is highly challenging due to the need to capture fine-scale details over extended timescales, which places computational burdens on traditional methods. In this study, we introduce a quantum vortex method, reformulating the Navier--Stokes (NS) equations within a quantum mechanical framework to enable the simulation of multi-vortex interactions on a quantum computer. We construct the effective Hamiltonian for the vortex system and implement a spatiotemporal evolution circuit to simulate its dynamics over prolonged periods. By leveraging eight qubits on a superconducting quantum processor with gate fidelities of 99.97\% for single-qubit gates and 99.76\% for two-qubit gates, we successfully reproduce natural vortex interactions. This method bridges classical fluid dynamics and quantum computing, offering a novel computational platform for studying vortex dynamics. Our results demonstrate the potential of quantum computing to tackle longstanding challenges in fluid dynamics and broaden applications across both natural and engineering systems.

quant-ph

Quantum state preparation for a velocity field based on the spherical Clebsch wave function

We propose a method for preparing the quantum state for a given velocity field, e.g., in fluid dynamics, via the spherical Clebsch wave function (SCWF). Using the pointwise normalization constraint for the SCWF, we develop a variational ansatz comprising parameterized controlled rotation gates. Employing the variational quantum algorithm, we iteratively optimize the circuit parameters to transform the target velocity field into the SCWF and its corresponding discrete quantum state, enabling subsequent quantum simulation of fluid dynamics. Validations for one- and two-dimensional flow fields confirm the accuracy and robustness of our method, emphasizing its effectiveness in handling multiscale and multidimensional velocity fields. Our method is able to capture critical flow features like sources, sinks, and saddle points. Furthermore, it enables the generation of SCWFs for various vector fields, which can then be applied in quantum simulations through SCWF evolution.

quant-ph

Eulerian-Lagrangian Fluid Simulation on Particle Flow Maps

We propose a novel Particle Flow Map (PFM) method to enable accurate long-range advection for incompressible fluid simulation. The foundation of our method is the observation that a particle trajectory generated in a forward simulation naturally embodies a perfect flow map. Centered on this concept, we have developed an Eulerian-Lagrangian framework comprising four essential components: Lagrangian particles for a natural and precise representation of bidirectional flow maps; a dual-scale map representation to accommodate the mapping of various flow quantities; a particle-to-grid interpolation scheme for accurate quantity transfer from particles to grid nodes; and a hybrid impulse-based solver to enforce incompressibility on the grid. The efficacy of PFM has been demonstrated through various simulation scenarios, highlighting the evolution of complex vortical structures and the details of turbulent flows. Notably, compared to NFM, PFM reduces computing time by up to 49 times and memory consumption by up to 41%, while enhancing vorticity preservation as evidenced in various tests like leapfrog, vortex tube, and turbulent flow.

cs.GR

Simulating unsteady fluid flows on a superconducting quantum processor

Recent advancements of intermediate-scale quantum processors have triggered tremendous interest in the exploration of practical quantum advantage. The simulation of fluid dynamics, a highly challenging problem in classical physics but vital for practical applications, emerges as a good candidate for showing quantum utility. Here, we report an experiment on the digital simulation of unsteady flows, which consists of quantum encoding, evolution, and detection of flow states, with a superconducting quantum processor. The quantum algorithm is based on the Hamiltonian simulation using the hydrodynamic formulation of the Schrödinger equation. With the median fidelities of 99.97% and 99.67% for parallel single- and two-qubit gates respectively, we simulate the dynamics of a two-dimensional (2D) compressible diverging flow and a 2D decaying vortex with ten qubits. The experimental results well capture the temporal evolution of averaged density and momentum profiles, and qualitatively reproduce spatial flow fields with moderate noises. This work demonstrates the potential of quantum computing in simulating more complex flows, such as turbulence, for practical applications.

quant-ph

Neural Vortex Method: from Finite Lagrangian Particles to Infinite Dimensional Eulerian Dynamics

In the field of fluid numerical analysis, there has been a long-standing problem: lacking of a rigorous mathematical tool to map from a continuous flow field to discrete vortex particles, hurdling the Lagrangian particles from inheriting the high resolution of a large-scale Eulerian solver. To tackle this challenge, we propose a novel learning-based framework, the Neural Vortex Method (NVM), which builds a neural-network description of the Lagrangian vortex structures and their interaction dynamics to reconstruct the high-resolution Eulerian flow field in a physically-precise manner. The key components of our infrastructure consist of two networks: a vortex representation network to identify the Lagrangian vortices from a grid-based velocity field and a vortex interaction network to learn the underlying governing dynamics of these finite structures. By embedding these two networks with a vorticity-to-velocity Poisson solver and training its parameters using the high-fidelity data obtained from high-resolution direct numerical simulation, we can predict the accurate fluid dynamics on a precision level that was infeasible for all the previous conventional vortex methods (CVMs). To the best of our knowledge, our method is the first approach that can utilize motions of finite particles to learn infinite dimensional dynamic systems. We demonstrate the efficacy of our method in generating highly accurate prediction results, with low computational cost, of the leapfrogging vortex rings system, the turbulence system, and the systems governed by Euler equations with different external forces.

physics.comp-ph

Neural Partial Differential Equations with Functional Convolution

We present a lightweighted neural PDE representation to discover the hidden structure and predict the solution of different nonlinear PDEs. Our key idea is to leverage the prior of ``translational similarity'' of numerical PDE differential operators to drastically reduce the scale of learning model and training data. We implemented three central network components, including a neural functional convolution operator, a Picard forward iterative procedure, and an adjoint backward gradient calculator. Our novel paradigm fully leverages the multifaceted priors that stem from the sparse and smooth nature of the physical PDE solution manifold and the various mature numerical techniques such as adjoint solver, linearization, and iterative procedure to accelerate the computation. We demonstrate the efficacy of our method by robustly discovering the model and accurately predicting the solutions of various types of PDEs with small-scale networks and training sets. We highlight that all the PDE examples we showed were trained with up to 8 data samples and within 325 network parameters.

cs.LG

Cellular Topology Optimization on Differentiable Voronoi Diagrams

Cellular structures manifest their outstanding mechanical properties in many biological systems. One key challenge for designing and optimizing these geometrically complicated structures lies in devising an effective geometric representation to characterize the system's spatially varying cellular evolution driven by objective sensitivities. A conventional discrete cellular structure, e.g., a Voronoi diagram, whose representation relies on discrete Voronoi cells and faces, lacks its differentiability to facilitate large-scale, gradient-based topology optimizations. We propose a topology optimization algorithm based on a differentiable and generalized Voronoi representation that can evolve the cellular structure as a continuous field. The central piece of our method is a hybrid particle-grid representation to encode the previously discrete Voronoi diagram into a continuous density field defined in a Euclidean space. Based on this differentiable representation, we further extend it to tackle anisotropic cells, free boundaries, and functionally-graded cellular structures. Our differentiable Voronoi diagram enables the integration of an effective cellular representation into the state-of-the-art topology optimization pipelines, which defines a novel design space for cellular structures to explore design options effectively that were impractical for previous approaches. We showcase the efficacy of our approach by optimizing cellular structures with up to thousands of anisotropic cells, including femur bone and Odonata wing.

cs.GR

Symplectic Neural Networks in Taylor Series Form for Hamiltonian Systems

We propose an effective and lightweight learning algorithm, Symplectic Taylor Neural Networks (Taylor-nets), to conduct continuous, long-term predictions of a complex Hamiltonian dynamic system based on sparse, short-term observations. At the heart of our algorithm is a novel neural network architecture consisting of two sub-networks. Both are embedded with terms in the form of Taylor series expansion designed with symmetric structure. The key mechanism underpinning our infrastructure is the strong expressiveness and special symmetric property of the Taylor series expansion, which naturally accommodate the numerical fitting process of the gradients of the Hamiltonian with respect to the generalized coordinates as well as preserve its symplectic structure. We further incorporate a fourth-order symplectic integrator in conjunction with neural ODEs' framework into our Taylor-net architecture to learn the continuous-time evolution of the target systems while simultaneously preserving their symplectic structures. We demonstrated the efficacy of our Taylor-net in predicting a broad spectrum of Hamiltonian dynamic systems, including the pendulum, the Lotka--Volterra, the Kepler, and the Hénon--Heiles systems. Our model exhibits unique computational merits by outperforming previous methods to a great extent regarding the prediction accuracy, the convergence rate, and the robustness despite using extremely small training data with a short training period (6000 times shorter than the predicting period), small sample sizes, and no intermediate data to train the networks.

cs.LG

Nonseparable Symplectic Neural Networks

Predicting the behaviors of Hamiltonian systems has been drawing increasing attention in scientific machine learning. However, the vast majority of the literature was focused on predicting separable Hamiltonian systems with their kinematic and potential energy terms being explicitly decoupled while building data-driven paradigms to predict nonseparable Hamiltonian systems that are ubiquitous in fluid dynamics and quantum mechanics were rarely explored. The main computational challenge lies in the effective embedding of symplectic priors to describe the inherently coupled evolution of position and momentum, which typically exhibits intricate dynamics. To solve the problem, we propose a novel neural network architecture, Nonseparable Symplectic Neural Networks (NSSNNs), to uncover and embed the symplectic structure of a nonseparable Hamiltonian system from limited observation data. The enabling mechanics of our approach is an augmented symplectic time integrator to decouple the position and momentum energy terms and facilitate their evolution. We demonstrated the efficacy and versatility of our method by predicting a wide range of Hamiltonian systems, both separable and nonseparable, including chaotic vortical flows. We showed the unique computational merits of our approach to yield long-term, accurate, and robust predictions for large-scale Hamiltonian systems by rigorously enforcing symplectomorphism.

cs.LG

Thin-Film Smoothed Particle Hydrodynamics Fluid

We propose a particle-based method to simulate thin-film fluid that jointly facilitates aggressive surface deformation and vigorous tangential flows. We build our dynamics model from the surface tension driven Navier-Stokes equation with the dimensionality reduced using the asymptotic lubrication theory and customize a set of differential operators based on the weakly compressible Smoothed Particle Hydrodynamics (SPH) for evolving pointset surfaces. The key insight is that the compressible nature of SPH, which is unfavorable in its typical usage, is helpful in our application to co-evolve the thickness, calculate the surface tension, and enforce the fluid incompressibility on a thin film. In this way, we are able to two-way couple the surface deformation with the in-plane flows in a physically based manner. We can simulate complex vortical swirls, fingering effects due to Rayleigh-Taylor instability, capillary waves, Newton's interference fringes, and the Marangoni effect on liberally deforming surfaces by presenting both realistic visual results and numerical validations. The particle-based nature of our system also enables it to conveniently handle topology changes and codimension transitions, allowing us to marry the thin-film simulation with a wide gamut of 3D phenomena, such as pinch-off of unstable catenoids, dripping under gravity, merging of droplets, as well as bubble rupture.

physics.flu-dyn

Sparse Symplectically Integrated Neural Networks

We introduce Sparse Symplectically Integrated Neural Networks (SSINNs), a novel model for learning Hamiltonian dynamical systems from data. SSINNs combine fourth-order symplectic integration with a learned parameterization of the Hamiltonian obtained using sparse regression through a mathematically elegant function space. This allows for interpretable models that incorporate symplectic inductive biases and have low memory requirements. We evaluate SSINNs on four classical Hamiltonian dynamical problems: the Hénon-Heiles system, nonlinearly coupled oscillators, a multi-particle mass-spring system, and a pendulum system. Our results demonstrate promise in both system prediction and conservation of energy, often outperforming the current state-of-the-art black-box prediction techniques by an order of magnitude. Further, SSINNs successfully converge to true governing equations from highly limited and noisy data, demonstrating potential applicability in the discovery of new physical governing equations.

cs.LG

RoeNets: Predicting Discontinuity of Hyperbolic Systems from Continuous Data

We introduce Roe Neural Networks (RoeNets) that can predict the discontinuity of the hyperbolic conservation laws (HCLs) based on short-term discontinuous and even continuous training data. Our methodology is inspired by Roe approximate Riemann solver (P. L. Roe, J. Comput. Phys., vol. 43, 1981, pp. 357--372), which is one of the most fundamental HCLs numerical solvers. In order to accurately solve the HCLs, Roe argues the need to construct a Roe matrix that fulfills "Property U", including diagonalizable with real eigenvalues, consistent with the exact Jacobian, and preserving conserved quantities. However, the construction of such matrix cannot be achieved by any general numerical method. Our model made a breakthrough improvement in solving the HCLs by applying Roe solver under a neural network perspective. To enhance the expressiveness of our model, we incorporate pseudoinverses into a novel context to enable a hidden dimension so that we are flexible with the number of parameters. The ability of our model to predict long-term discontinuity from a short window of continuous training data is in general considered impossible using traditional machine learning approaches. We demonstrate that our model can generate highly accurate predictions of evolution of convection without dissipation and the discontinuity of hyperbolic systems from smooth training data.

physics.comp-ph