Jingrun Chen

Yu Cao, Jingrun Chen, Yixin Luo et al.

The diffusion model has shown remarkable success in computer vision, but it remains unclear whether the ODE-based probability flow or the SDE-based diffusion model is more superior and under what circumstances. Comparing the two is challenging due to dependencies on data distributions, score training, and other numerical issues. In this paper, we study the problem mathematically for two limiting scenarios: the zero diffusion (ODE) case and the large diffusion case. We first introduce a pulse-shape error to perturb the score function and analyze error accumulation of sampling quality, followed by a thorough analysis for generalization to arbitrary error. Our findings indicate that when the perturbation occurs at the end of the generative process, the ODE model outperforms the SDE model with a large diffusion coefficient. However, when the perturbation occurs earlier, the SDE model outperforms the ODE model, and we demonstrate that the error of sample generation due to such a pulse-shape perturbation is exponentially suppressed as the diffusion term's magnitude increases to infinity. Numerical validation of this phenomenon is provided using Gaussian, Gaussian mixture, and Swiss roll distribution, as well as realistic datasets like MNIST and CIFAR-10.

Jingrun Chen, Ling Lin, Zhiwen Zhang et al.

Exciton diffusion length plays a vital role in the function of opto-electronic devices. Oftentimes, the domain occupied by an organic semiconductor is subject to surface measurement error. In many experiments, photoluminescence over the domain is measured and used as the observation data to estimate this length parameter in an inverse manner based on the least square method. However, the result is sometimes found to be sensitive to the surface geometry of the domain. In this paper, we employ a random function representation for the uncertain surface of the domain. After non-dimensionalization, the forward model becomes a diffusion-type equation over the domain whose geometric boundary is subject to small random perturbations. We propose an asymptotic-based method as an approximate forward solver whose accuracy is justified both theoretically and numerically. It only requires solving several deterministic problems over a fixed domain. Therefore, for the same accuracy requirements we tested here, the running time of our approach is more than one order of magnitude smaller than that of directly solving the original stochastic boundary-value problem by the stochastic collocation method. In addition, from numerical results, we find that the correlation length of randomness is important to determine whether a 1D reduced model is a good surrogate for the 2D model.

Jingrun Chen, Pingbing Ming

We derive an analytical expression for the solution of a two-dimensional quasicontinuum method with a planar interface. The expression is used to prove that the ghost force may lead to a finite size error for the gradient of the solution. We estimate the width of the interfacial layer induced by the ghost force is of $\co(\sqrt{\eps}\,)$ with $\eps$ the equilibrium bond length, which is much wider than that of the one-dimensional problem.

Zetao Ma, Jingrun Chen, Rui Du et al.

In this work, we develop a numerical homogenization approach for the fully nonlinear Landau-Lifshitz equation with rough coefficients, including non-periodicity and nonseparable scales. Direct numerical resolution of such multiscale problems on fine meshes incurs prohibitive computational costs. To address this challenge, we propose an efficient coarse scale approximation through localized basis functions derived from energy minimization within the Generalized Rough Polyharmonic Splines (GRPS) framework. These basis functions preserve critical multiscale features while operating on a computationally tractable coarse mesh. The nonlinear, vectorial, and non-symmetric nature of the Landau-Lifshitz equation necessitates careful design of variational formulations for basis construction. We introduce several such formulations, each tailored to specific structural aspects of the problem. Through systematic numerical experiments, we demonstrate that our approach achieves significant computational savings without compromising accuracy, offering a robust framework for simulating multiscale magnetic systems with complex microstructures.

Zijun Ding, Mingdie Xiong, Congcong Zhu et al.

Existing audio-driven visual dubbing methods have achieved great success. Despite this, we observe that the semantic ambiguity between spatial and temporal domains significantly degrades the synthesis stability for the dynamic faces. We argue that aligning the semantic features from spatial and temporal domains is a promising approach to stabilizing facial motion. To achieve this, we propose a Spatial-Temporal Semantic Alignment (STSA) method, which introduces a dual-path alignment mechanism and a differentiable semantic representation. The former leverages a Consistent Information Learning (CIL) module to maximize the mutual information at multiple scales, thereby reducing the manifold differences between spatial and temporal domains. The latter utilizes probabilistic heatmap as ambiguity-tolerant guidance to avoid the abnormal dynamics of the synthesized faces caused by slight semantic jittering. Extensive experimental results demonstrate the superiority of the proposed STSA, especially in terms of image quality and synthesis stability. Pre-trained weights and inference code are available at https://github.com/SCAILab-USTC/STSA.

Zhiwen Wang, Minxin Chen, Jingrun Chen

Machine learning has been successfully applied to various fields of scientific computing in recent years. In this work, we propose a sparse radial basis function neural network method to solve elliptic partial differential equations (PDEs) with multiscale coefficients. Inspired by the deep mixed residual method, we rewrite the second-order problem into a first-order system and employ multiple radial basis function neural networks (RBFNNs) to approximate unknown functions in the system. To aviod the overfitting due to the simplicity of RBFNN, an additional regularization is introduced in the loss function. Thus the loss function contains two parts: the $L_2$ loss for the residual of the first-order system and boundary conditions, and the $\ell_1$ regularization term for the weights of radial basis functions (RBFs). An algorithm for optimizing the specific loss function is introduced to accelerate the training process. The accuracy and effectiveness of the proposed method are demonstrated through a collection of multiscale problems with scale separation, discontinuity and multiple scales from one to three dimensions. Notably, the $\ell_1$ regularization can achieve the goal of representing the solution by fewer RBFs. As a consequence, the total number of RBFs scales like $\mathcal{O}(\varepsilon^{-nτ})$, where $\varepsilon$ is the smallest scale, $n$ is the dimensionality, and $τ$ is typically smaller than $1$. It is worth mentioning that the proposed method not only has the numerical convergence and thus provides a reliable numerical solution in three dimensions when a classical method is typically not affordable, but also outperforms most other available machine learning methods in terms of accuracy and robustness.

Jingrun Chen, Rui Du, Panchi Li et al.

Solving partial differential equations in high dimensions by deep neural network has brought significant attentions in recent years. In many scenarios, the loss function is defined as an integral over a high-dimensional domain. Monte-Carlo method, together with the deep neural network, is used to overcome the curse of dimensionality, while classical methods fail. Often, a deep neural network outperforms classical numerical methods in terms of both accuracy and efficiency. In this paper, we propose to use quasi-Monte Carlo sampling, instead of Monte-Carlo method to approximate the loss function. To demonstrate the idea, we conduct numerical experiments in the framework of deep Ritz method proposed by Weinan E and Bing Yu. For the same accuracy requirement, it is observed that quasi-Monte Carlo sampling reduces the size of training data set by more than two orders of magnitude compared to that of MC method. Under some assumptions, we prove that quasi-Monte Carlo sampling together with the deep neural network generates a convergent series with rate proportional to the approximation accuracy of quasi-Monte Carlo method for numerical integration. Numerically the fitted convergence rate is a bit smaller, but the proposed approach always outperforms Monte Carlo method. It is worth mentioning that the convergence analysis is generic whenever a loss function is approximated by the quasi-Monte Carlo method, although observations here are based on deep Ritz method.

Liyao Lyu, Zhiwen Zhang, Jingrun Chen

Exciton diffusion plays a vital role in the function of many organic semiconducting opto-electronic devices, where an accurate description requires precise control of heterojunctions. This poses a challenging problem because the parameterization of heterojunctions in high-dimensional random space is far beyond the capability of classical simulation tools. Here, we develop a novel method based on quasi-Monte Carlo sampling to generate the training data set and deep neural network to extract a function for exciton diffusion length on surface roughness with high accuracy and unprecedented efficiency, yielding an abundance of information over the entire parameter space. Our method provides a new strategy to analyze the impact of interfacial ordering on exciton diffusion and is expected to assist experimental design with tailored opto-electronic functionalities.

Jingrun Chen, Carlos J. García-Cervera, Xiantao Li

A common observation from an atomistic to continuum coupling method is that the error is often generated and concentrated near the interface, where the two models are combined. In this paper, a new method is proposed to suppress the error at the interface, and as a consequence, the overall accuracy is improved. The method is motivated by formulating the molecular mechanics model as a two-stage minimization problem. In particular, it is demonstrated that the error at the interface can be considerably reduced when new basis functions are introduced in a Galerkin projection formalism. The improvement of the accuracy is illustrated by two examples. Further, the comparison to some quasicontinuum-type methods is provided.

Jingrun Chen, Jianfeng Lu

We study the accuracy of the divide-and-conquer method for electronic structure calculations. The analysis is conducted for a prototypical subdomain problem in the method. We prove that the pointwise difference between electron densities of the global system and the subsystem decays exponentially as a function of the distance away from the boundary of the subsystem, under the gap assumption of both the global system and the subsystem. We show that gap assumption is crucial for the accuracy of the divide-and-conquer method by numerical examples. In particular, we show examples with the loss of accuracy when the gap assumption of the subsystem is invalid.