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Yunqing Huang

Publications and source records attributed to Yunqing Huang.

At least 37 records · Page 2Linked to original sources

Robust space-time multiscale upscaling via multicontinuum homogenization for evolving perforated media

Time-evolving perforated domains arise in many engineering and geoscientific applications, including reactive transport, particle deposition, and structural degradation in porous media. Accurately capturing the macroscopic behavior of such systems poses significant computational challenges due to the dynamic fine-scale geometries. In this paper, we develop a robust and generalizable multiscale modeling framework based on multicontinuum homogenization to derive effective macroscopic equations in shrinking domains. The method distinguishes multiple continua according to the physical characteristics (e.g., channel widths), and couples them via space-time local cell problems formulated on representative volume elements. These local problems incorporate temporal derivatives and domain evolution, ensuring consistency with underlying fine-scale dynamics. The resulting upscaled system yields computable macroscopic coefficients and is suitable for large-scale simulations. Several numerical experiments are presented to validate the accuracy, efficiency, and potential applicability of the method to complex time-dependent engineering problems.

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Robust PDE discovery under sparse and highly noisy conditions via attention neural networks

The discovery of partial differential equations (PDEs) from experimental data holds great promise for uncovering predictive models of complex physical systems. In this study, we introduce an efficient automatic model discovery framework, ANN-PYSR, which integrates attention neural networks with the state-of-the-art PySR symbolic regression library. Our approach successfully identifies the governing PDE in six benchmark examples. Compared to the DLGA framework, numerical experiments demonstrate ANN-PYSR can extract the underlying dynamic model more efficiently and robustly from sparse, highly noisy data (noise level up to 200%, 5000 sampling points). It indicates an extensive variety of practical applications of ANN-PYSR, particularly in conditions with sparse sensor networks and high noise levels, where traditional methods frequently fail.

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Rank Inspired Neural Network for solving linear partial differential equations

This paper proposes a rank inspired neural network (RINN) to tackle the initialization sensitivity issue of physics informed extreme learning machines (PIELM) when numerically solving partial differential equations (PDEs). Unlike PIELM which randomly initializes the parameters of its hidden layers, RINN incorporates a preconditioning stage. In this stage, covariance-driven regularization is employed to optimize the orthogonality of the basis functions generated by the last hidden layer. The key innovation lies in minimizing the off-diagonal elements of the covariance matrix derived from the hidden-layer output. By doing so, pairwise orthogonality constraints across collocation points are enforced which effectively enhances both the numerical stability and the approximation ability of the optimized function space.The RINN algorithm unfolds in two sequential stages. First, it conducts a non-linear optimization process to orthogonalize the basis functions. Subsequently, it solves the PDE constraints using linear least-squares method. Extensive numerical experiments demonstrate that RINN significantly reduces performance variability due to parameter initialization compared to PIELM. Incorporating an early stopping mechanism based on PDE loss further improves stability, ensuring consistently high accuracy across diverse initialization settings.

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Superconvergent quadriatic finite element on uniform tetrahedral meshes

By a direct computation, we show that the $P_2$ interpolation of a $P_3$ function is also a local $H^1$-projection on uniform tetrahedral meshes, i.e., the difference is $H^1$-orthogonal to the $P_2$ Lagrange basis function on the support patch of tetrahedra of the basis function. Consequently, we show the $H^1$ and $L^2$ rconvergence of the $P_2$ Lagrange finite element on uniform tetrahedral meshes. Using the standard 20-points Lagrange $P_3$ interpolation, where the 20 nodes are exactly some $P_2$ global basis nodes, we lift the superconvergent $P_2$ finite element solution to a quasi-optimal $P_3$ solution on each cube. Numerical results confirm the theory.

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A Kolmogorov High Order Deep Neural Network for High Frequency Partial Differential Equations in High Dimensions

This paper proposes a Kolmogorov high order deep neural network (K-HOrderDNN) for solving high-dimensional partial differential equations (PDEs), which improves the high order deep neural networks (HOrderDNNs). HOrderDNNs have been demonstrated to outperform conventional DNNs for high frequency problems by introducing a nonlinear transformation layer consisting of $(p+1)^d$ basis functions. However, the number of basis functions grows exponentially with the dimension $d$, which results in the curse of dimensionality (CoD). Inspired by the Kolmogorov superposition theorem (KST), which expresses a multivariate function as superpositions of univariate functions and addition, K-HOrderDNN utilizes a HOrderDNN to efficiently approximate univariate inner functions instead of directly approximating the multivariate function, reducing the number of introduced basis functions to $d(p+1)$. We theoretically demonstrate that CoD is mitigated when target functions belong to a dense subset of continuous multivariate functions. Extensive numerical experiments show that: for high-dimensional problems ($d$=10, 20, 50) where HOrderDNNs($p>1$) are intractable, K-HOrderDNNs($p>1$) exhibit remarkable performance. Specifically, when $d=10$, K-HOrderDNN($p=7$) achieves an error of 4.40E-03, two orders of magnitude lower than that of HOrderDNN($p=1$) (see Table 10); for high frequency problems, K-HOrderDNNs($p>1$) can achieve higher accuracy with fewer parameters and faster convergence rates compared to HOrderDNNs (see Table 8).

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Adaptive Basis-inspired Deep Neural Network for Solving Partial Differential Equations with Localized Features

This paper proposes an Adaptive Basis-inspired Deep Neural Network (ABI-DNN) for solving partial differential equations with localized phenomena such as sharp gradients and singularities. Like the adaptive finite element method, ABI-DNN incorporates an iteration of "solve, estimate, mark, enhancement", which automatically identifies challenging regions and adds new neurons to enhance its capability. A key challenge is to force new neurons to focus on identified regions with limited understanding of their roles in approximation. To address this, we draw inspiration from the finite element basis function and construct the novel Basis-inspired Block (BI-block), to help understand the contribution of each block. With the help of the BI-block and the famous Kolmogorov Superposition Theorem, we first develop a novel fixed network architecture named the Basis-inspired Deep Neural Network (BI-DNN), and then integrate it into the aforementioned adaptive framework to propose the ABI-DNN. Extensive numerical experiments demonstrate that both BI-DNN and ABI-DNN can effectively capture the challenging singularities in target functions. Compared to PINN, BI-DNN attains significantly lower relative errors with a similar number of trainable parameters. When a specified tolerance is set, ABI-DNN can adaptively learn an appropriate architecture that achieves an error comparable to that of BI-DNN with the same structure.

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Phase Behaviour of X-Shaped Liquid Crystalline Molecules

X-shaped liquid crystalline molecules (XLCMs) are obtained by tethering two flexible end A-blocks and two flexible side B-blocks to a rigid backbone (R). A rich array of ordered structures can be formed from XLCMs, driven by the competition between the interactions between the chemically distinct blocks and the molecular connectivity. Here, we report a theoretical study on the phase behaviour of XLCMs with symmetric and asymmetric side blocks by using the self-consistent field theory (SCFT). A large number of ordered structures, including stable smectic-A, triangle-square, pentagon and giant polygon, are obtained as solutions of the SCFT equations. Phase diagrams of XLCMs as a function of the total length and asymmetric ratio of the side chains are constructed. For XLCMs with symmetric side blocks, the theoretically predicted phase transition sequence is in good agreement with experiments. For XLCMs with a fixed total side chain length, transitions between layered structure to polygonal phases, as well as between different polygonal phases, could be induced by varying the asymmetry of the side chains. The free energy density, domain size, side-chain stretching , and molecular orientation are analyzed to elucidate mechanisms stabilizing the different ordered phases.

cond-mat.soft↗

Conservative nonconforming virtual element method for stationary incompressible magnetohydrodynamics

In this paper, we propose a conservative nonconforming virtual element method for the full stationary incompressible magnetohydrodynamics model. We leverage the virtual element satisfactory divergence-free property to ensure mass conservation for the velocity field. The condition of the well-posedness of the proposed method, as well as the stability are derived. We establish optimal error estimates in the discrete energy norm for both the velocity and magnetic field. Furthermore, by employing a new technique, we obtain the optimal error estimates in $L^2$-norm without any additional conditions. Finally, numerical experiments are presented to validate the theoretical analysis. In the implementation process, we adopt the effective Oseen iteration to handle the nonlinear system.

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A virtual element method with IMEX-SAV scheme for the incompressible magnetohydrodynamics equations

This paper proposes a virtual element method (VEM) combined with a second-order implicit-explicit scheme based on the scalar auxiliary variable (SAV) method for the incompressible magnetohydrodynamics (MHD) equations. We employ the BDF2 scheme for time discretization and a conservative VEM for spatial discretization, in which the mass conservation in the velocity field is kept by taking advantage of the virtual element method's adaptability and its divergence-free characteristics. In our scheme, the nonlinear terms are handled explicitly using the SAV method, and the magnetic field is decoupled from the velocity and pressure. This decoupling only requires solving a sequence of linear systems with constant coefficient at each time step. The stability estimate of the fully discrete scheme is developed, demonstrating the scheme is unconditionally stable. Moreover, rigorous error estimates for the velocity and magnetic field are provided. Finally, numerical experiments are presented to verify the valid of theoretical analysis.

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A posteriori error estimators for fourth order elliptic problems with concentrated loads

In this paper, we study two residual-based a posteriori error estimators for the $C^0$ interior penalty method in solving the biharmonic equation in a polygonal domain under a concentrated load. The first estimator is derived directly from the model equation without any post-processing technique. We rigorously prove the efficiency and reliability of the estimator by constructing bubble functions. Additionally, we extend this type of estimator to general fourth-order elliptic equations with various boundary conditions. The second estimator is based on projecting the Dirac delta function onto the discrete finite element space, allowing the application of a standard estimator. Notably, we additionally incorporate the projection error into the standard estimator. The efficiency and reliability of the estimator are also verified through rigorous analysis. We validate the performance of these a posteriori estimates within an adaptive algorithm and demonstrate their robustness and expected accuracy through extensive numerical examples.

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Multicontinuum homogenization in perforated domains

In this paper, we develop a general framework for multicontinuum homogenization in perforated domains. The simulations of problems in perforated domains are expensive and, in many applications, coarse-grid macroscopic models are developed. Many previous approaches include homogenization, multiscale finite element methods, and so on. In our paper, we design multicontinuum homogenization based on our recently proposed framework. In this setting, we distinguish different spatial regions in perforations based on their sizes. For example, very thin perforations are considered as one continua, while larger perforations are considered as another continua. By differentiating perforations in this way, we are able to predict flows in each of them more accurately. We present a framework by formulating cell problems for each continuum using appropriate constraints for the solution averages and their gradients. These cell problem solutions are used in a multiscale expansion and in deriving novel macroscopic systems for multicontinuum homogenization. Our proposed approaches are designed for problems without scale separation. We present numerical results for two continuum problems and demonstrate the accuracy of the proposed methods.

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CEM-GMsFEM for Poisson equations in heterogeneous perforated domains

In this paper, we propose a novel multiscale model reduction strategy tailored to address the Poisson equation within heterogeneous perforated domains. The numerical simulation of this intricate problem is impeded by its multiscale characteristics, necessitating an exceptionally fine mesh to adequately capture all relevant details. To overcome the challenges inherent in the multiscale nature of the perforations, we introduce a coarse space constructed using the Constraint Energy Minimizing Generalized Multiscale Finite Element Method (CEM-GMsFEM). This involves constructing basis functions through a sequence of local energy minimization problems over eigenspaces containing localized information pertaining to the heterogeneities. Through our analysis, we demonstrate that the oversampling layers depend on the local eigenvalues, thereby implicating the local geometry as well. Additionally, we provide numerical examples to illustrate the efficacy of the proposed scheme.

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Recovery type a posteriori error estimation of an adaptive finite element method for Cahn--Hilliard equation

In this paper, we derive a novel recovery type a posteriori error estimation of the Crank-Nicolson finite element method for the Cahn--Hilliard equation. To achieve this, we employ both the elliptic reconstruction technique and a time reconstruction technique based on three time-level approximations, resulting in an optimal a posteriori error estimator. We propose a time-space adaptive algorithm that utilizes the derived a posteriori error estimator as error indicators. Numerical experiments are presented to validate the theoretical findings, including comparing with an adaptive finite element method based on a residual type a posteriori error estimator.

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Error Analysis of Physics-Informed Neural Networks for Approximating Dynamic PDEs of Second Order in Time

We consider the approximation of a class of dynamic partial differential equations (PDE) of second order in time by the physics-informed neural network (PINN) approach, and provide an error analysis of PINN for the wave equation, the Sine-Gordon equation and the linear elastodynamic equation. Our analyses show that, with feed-forward neural networks having two hidden layers and the $\tanh$ activation function, the PINN approximation errors for the solution field, its time derivative and its gradient field can be effectively bounded by the training loss and the number of training data points (quadrature points). Our analyses further suggest new forms for the training loss function, which contain certain residuals that are crucial to the error estimate but would be absent from the canonical PINN loss formulation. Adopting these new forms for the loss function leads to a variant PINN algorithm. We present ample numerical experiments with the new PINN algorithm for the wave equation, the Sine-Gordon equation and the linear elastodynamic equation, which show that the method can capture the solution well.

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A multi-category inverse design neural network and its application to diblock copolymers

In this work, we design a multi-category inverse design neural network to map ordered periodic structure to physical parameters. The neural network model consists of two parts, a classifier and Structure-Parameter-Mapping (SPM) subnets. The classifier is used to identify structure, and the SPM subnets are used to predict physical parameters for desired structures. We also present an extensible reciprocal-space data augmentation method to guarantee the rotation and translation invariant of periodic structures. We apply the proposed network model and data augmentation method to two-dimensional diblock copolymers based on the Landau-Brazovskii model. Results show that the multi-category inverse design neural network is high accuracy in predicting physical parameters for desired structures. Moreover, the idea of multi-categorization can also be extended to other inverse design problems.

cond-mat.soft↗

Error analysis of SAV finite element method to phase field crystal model

In this paper, we construct and analyze an energy stable scheme by combining the latest developed scalar auxiliary variable (SAV) approach and linear finite element method (FEM) for phase field crystal (PFC) model, and show rigorously that the scheme is first-order in time and second-order in space for the L 2 and H -1 gradient flow equations. To reduce efficiently computational cost and capture accurately the phase interface, we give a simple adaptive strategy, equipped with a posteriori gradient estimator, i.e. L 2 norm of the recovered gradient. Extensive numerical experiments are presented to verify our theoretical results and to demonstrate the effectiveness and accuracy of our proposed method.

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Recovery based finite element method for biharmonic equation in two dimensional

We design and numerically validate a recovery based linear finite element method for solving the biharmonic equation. The main idea is to replace the gradient operator $\nabla$ on linear finite element space by $G(\nabla)$ in the weak formulation of the biharmonic equation, where $G$ is the recovery operator which recovers the piecewise constant function into the linear finite element space. By operator $G$, Laplace operator $Δ$ is replaced by $\nabla\cdot G(\nabla)$. Furthermore the boundary condition on normal derivative $\nabla u\cdot \pmb{n}$ is treated by the boundary penalty method. The explicit matrix expression of the proposed method is also introduced. Numerical examples on uniform and adaptive meshes are presented to illustrate the correctness and effectiveness of the proposed method.

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The Lower Bounds for Eigenvalues of Elliptic Operators --By Nonconforming Finite Element Methods

The aim of the paper is to introduce a new systematic method that can produce lower bounds for eigenvalues. The main idea is to use nonconforming finite element methods. The general conclusion herein is that if local approximation properties of nonconforming finite element spaces $V_h$ are better than global continuity properties of $V_h$, corresponding methods will produce lower bounds for eigenvalues. More precisely, under three conditions on continuity and approximation properties of nonconforming finite element spaces we first show abstract error estimates of approximate eigenvalues and eigenfunctions. Subsequently, we propose one more condition and prove that it is sufficient to guarantee nonconforming finite element methods to produce lower bounds for eigenvalues of symmetric elliptic operators. As one application, we show that this condition hold for most nonconforming elements in literature. As another important application, this condition provides a guidance to modify known nonconforming elements in literature and to propose new nonconforming elements. In fact, we enrich locally the Crouzeix-Raviart element such that the new element satisfies the condition; we propose a new nonconforming element for second order elliptic operators and prove that it will yield lower bounds for eigenvalues. Finally, we prove the saturation condition for most nonconforming elements.

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