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Zhongqiang Zhang

Publications and source records attributed to Zhongqiang Zhang.

33 records · Page 2Linked to original sources

Peridynamic Neural Operators: A Data-Driven Nonlocal Constitutive Model for Complex Material Responses

Neural operators, which can act as implicit solution operators of hidden governing equations, have recently become popular tools for learning the responses of complex real-world physical systems. Nevertheless, most neural operator applications have thus far been data-driven and neglect the intrinsic preservation of fundamental physical laws in data. In this work, we introduce a novel integral neural operator architecture called the Peridynamic Neural Operator (PNO) that learns a nonlocal constitutive law from data. This neural operator provides a forward model in the form of state-based peridynamics, with objectivity and momentum balance laws automatically guaranteed. As applications, we demonstrate the expressivity and efficacy of our model in learning complex material behaviors from both synthetic and experimental data sets. We show that, owing to its ability to capture complex responses, our learned neural operator achieves improved accuracy and efficiency compared to baseline models that use predefined constitutive laws. Moreover, by preserving the essential physical laws within the neural network architecture, the PNO is robust in treating noisy data. The method shows generalizability to different domain configurations, external loadings, and discretizations.

cond-mat.mtrl-sci↗

Data-driven learning of the generalized Langevin equation with state-dependent memory

We present a data-driven method to learn stochastic reduced models of complex systems that retain a state-dependent memory beyond the standard generalized Langevin equation (GLE) with a homogeneous kernel. The constructed model naturally encodes the heterogeneous energy dissipation by jointly learning a set of state features and the non-Markovian coupling among the features. Numerical results demonstrate the limitation of the standard GLE and the essential role of the broadly overlooked state-dependency nature in predicting molecule kinetics related to conformation relaxation and transition.

physics.comp-ph↗

Error estimates of residual minimization using neural networks for linear PDEs

We propose an abstract framework for analyzing the convergence of least-squares methods based on residual minimization when feasible solutions are neural networks. With the norm relations and compactness arguments, we derive error estimates for both continuous and discrete formulations of residual minimization in strong and weak forms. The formulations cover recently developed physics-informed neural networks based on strong and variational formulations.

math.NA↗

Weak error analysis for strong approximation schemes of SDEs with super-linear coefficients

We present an error analysis of weak convergence of one-step numerical schemes for stochastic differential equations (SDEs) with super-linearly growing coefficients. Following Milstein's weak error analysis on the one-step approximation of SDEs, we prove a general conclusion on weak convergence of the one-step discretization of the SDEs mentioned above. As applications, we show the weak convergence rates for several numerical schemes of half-order strong convergence, such as tamed and balanced schemes. Numerical examples are presented to verify our theoretical analysis.

math.NA↗

Weak error analysis for strong approximation schemes of SDEs with super-linear coefficients

We present an error analysis of weak convergence of one-step numerical schemes for stochastic differential equations (SDEs) with super-linearly growing coefficients. Following Milstein's weak error analysis on the one-step approximation of SDEs, we prove a general conclusion on weak convergence of the one-step discretization of the SDEs mentioned above. As applications, we show the weak convergence rates for several numerical schemes of half-order strong convergence, such as tamed and balanced schemes. Numerical examples are presented to verify our theoretical analysis.

math.NA↗

A Modified Walk-on-sphere Method for High Dimensional Fractional Poisson Equation

We develop walk-on-sphere for fractional Poisson equations with Dirichilet boundary conditions in high dimensions. The walk-on-sphere method is based on probabilistic represen tation of the fractional Poisson equation. We propose effcient quadrature rules to evaluate integral representation in the ball and apply rejection sampling method to drawing from the computed probabilities in general domains. Moreover, we provide an estimate of the number of walks in the mean value for the method when the domain is a ball. We show that the number of walks is increasing in the fractional order and the distance of the starting point to the origin. We also give the relationship between the Green function of fractional Laplace equation and that of the classical Laplace equation. Numerical results for problems in 2-10 dimensions verify our theory and the effciency of the modified walk-on-sphere method.

math.NA↗

A comprehensive and fair comparison of two neural operators (with practical extensions) based on FAIR data

Neural operators can learn nonlinear mappings between function spaces and offer a new simulation paradigm for real-time prediction of complex dynamics for realistic diverse applications as well as for system identification in science and engineering. Herein, we investigate the performance of two neural operators, and we develop new practical extensions that will make them more accurate and robust and importantly more suitable for industrial-complexity applications. The first neural operator, DeepONet, was published in 2019, and the second one, named Fourier Neural Operator or FNO, was published in 2020. In order to compare FNO with DeepONet for realistic setups, we develop several extensions of FNO that can deal with complex geometric domains as well as mappings where the input and output function spaces are of different dimensions. We also endow DeepONet with special features that provide inductive bias and accelerate training, and we present a faster implementation of DeepONet with cost comparable to the computational cost of FNO. We consider 16 different benchmarks to demonstrate the relative performance of the two neural operators, including instability wave analysis in hypersonic boundary layers, prediction of the vorticity field of a flapping airfoil, porous media simulations in complex-geometry domains, etc. The performance of DeepONet and FNO is comparable for relatively simple settings, but for complex geometries and especially noisy data, the performance of FNO deteriorates greatly. For example, for the instability wave analysis with only 0.1% noise added to the input data, the error of FNO increases 10000 times making it inappropriate for such important applications, while there is hardly any effect of such noise on the DeepONet. We also compare theoretically the two neural operators and obtain similar error estimates for DeepONet and FNO under the same regularity assumptions.

physics.comp-ph↗

Convergence rate of DeepONets for learning operators arising from advection-diffusion equations

We present convergence analysis of operator learning in [Chen and Chen 1995] and [Lu et al. 2020], where continuous operators are approximated by a sum of products of branch and trunk networks. In this work, we consider the rates of learning solution operators from both linear and nonlinear advection-diffusion equations with or without reaction. We find that the convergence rates depend on the architecture of branch networks as well as the smoothness of inputs and outputs of solution operators.

math.AP↗

hp-VPINNs: Variational Physics-Informed Neural Networks With Domain Decomposition

We formulate a general framework for hp-variational physics-informed neural networks (hp-VPINNs) based on the nonlinear approximation of shallow and deep neural networks and hp-refinement via domain decomposition and projection onto space of high-order polynomials. The trial space is the space of neural network, which is defined globally over the whole computational domain, while the test space contains the piecewise polynomials. Specifically in this study, the hp-refinement corresponds to a global approximation with local learning algorithm that can efficiently localize the network parameter optimization. We demonstrate the advantages of hp-VPINNs in accuracy and training cost for several numerical examples of function approximation and solving differential equations.

cs.NE↗

Knowledge-guided Semantic Computing Network

It is very useful to integrate human knowledge and experience into traditional neural networks for faster learning speed, fewer training samples and better interpretability. However, due to the obscured and indescribable black box model of neural networks, it is very difficult to design its architecture, interpret its features and predict its performance. Inspired by human visual cognition process, we propose a knowledge-guided semantic computing network which includes two modules: a knowledge-guided semantic tree and a data-driven neural network. The semantic tree is pre-defined to describe the spatial structural relations of different semantics, which just corresponds to the tree-like description of objects based on human knowledge. The object recognition process through the semantic tree only needs simple forward computing without training. Besides, to enhance the recognition ability of the semantic tree in aspects of the diversity, randomicity and variability, we use the traditional neural network to aid the semantic tree to learn some indescribable features. Only in this case, the training process is needed. The experimental results on MNIST and GTSRB datasets show that compared with the traditional data-driven network, our proposed semantic computing network can achieve better performance with fewer training samples and lower computational complexity. Especially, Our model also has better adversarial robustness than traditional neural network with the help of human knowledge.

cs.LG↗

Order-preserving strong schemes for SDEs with locally Lipschitz coefficients

We introduce a class of explicit balanced schemes for stochastic differential equations with coefficients of superlinearly growth satisfying a global monotone condition. The first scheme is a balanced Euler scheme and is of order half in the mean-square sense whereas it is of order one under additive noise. The second scheme is a balanced Milstein scheme, which is of order one in the mean-square sense. Some numerical results are presented.

math.NA↗

Regularity and spectral methods for two-sided fractional diffusion equations with a low-order term

We study regularity and numerical methods for two-sided fractional diffusion equations with a lower-order term. We show that the regularity of the solution in weighted Sobolev spaces can be greatly improved compared to that in standard Sobolev spaces. With this regularity, we improve higher-order convergence of a spectral Galerkin method. We present a spectral Petrov-Galerkin method and provide an optimal error estimate for the Petrov-Galerkin method. Numerical results are presented to verify our theoretical convergence orders.

math.NA↗

Second-order numerical methods for multi-term fractional differential equations: Smooth and non-smooth solutions

Starting with the asymptotic expansion of the error equation of the shifted Grünwald--Letnikov formula, we derive a new modified weighted shifted Grünwald--Letnikov (WSGL) formula by introducing appropriate correction terms. We then apply one special case of the modified WSGL formula to solve multi-term fractional ordinary and partial differential equations, and we prove the linear stability and second-order convergence for both smooth and non-smooth solutions. We show theoretically and numerically that numerical solutions up to certain accuracy can be obtained with only a few correction terms. Moreover, the correction terms can be tuned according to the fractional derivative orders without explicitly knowing the analytical solutions. Numerical simulations verify the theoretical results and demonstrate that the new formula leads to better performance compared to other known numerical approximations with similar resolution.

math.NA↗

Implicit-Explicit difference schemes for nonlinear fractional differential equations with non-smooth solutions

We propose second-order implicit-explicit (IMEX) time-stepping schemes for nonlinear fractional differential equations with fractional order $0<β<1$. From the known structure of the non-smooth solution and by introducing corresponding correction terms, we can obtain uniformly second-order accuracy from these schemes. We prove the convergence and linear stability of the proposed schemes. Numerical examples illustrate the flexibility and efficiency of the IMEX schemes and show that they are effective for nonlinear and multi-rate fractional differential systems as well as multi-term fractional differential systems with non-smooth solutions.

math.NA↗

Wiener chaos vs stochastic collocation methods for linear advection-diffusion equations with multiplicative white noise

We compare Wiener chaos and stochastic collocation methods for linear advection-reaction-diffusion equations with multiplicative white noise. Both methods are constructed based on a recursive multi-stage algorithm for long-time integration. We derive error estimates for both methods and compare their numerical performance. Numerical results confirm that the recursive multi-stage stochastic collocation method is of order $Δ$ (time step size) in the second-order moments while the recursive multi-stage Wiener chaos method is of order $Δ^{\mathsf{N}}+Δ^2$ ($\mathsf{N}$ is the order of Wiener chaos) for advection-diffusion-reaction equations with commutative noises, in agreement with the theoretical error estimates. However, for non-commutative noises, both methods are of order one in the second-order moments.

math.NA↗