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Jerry Zhijian Yang

Publications and source records attributed to Jerry Zhijian Yang.

39 records · Page 3Linked to original sources

Analysis of Deep Ritz Methods for Laplace Equations with Dirichlet Boundary Conditions

Deep Ritz methods (DRM) have been proven numerically to be efficient in solving partial differential equations. In this paper, we present a convergence rate in $H^{1}$ norm for deep Ritz methods for Laplace equations with Dirichlet boundary condition, where the error depends on the depth and width in the deep neural networks and the number of samples explicitly. Further we can properly choose the depth and width in the deep neural networks in terms of the number of training samples. The main idea of the proof is to decompose the total error of DRM into three parts, that is approximation error, statistical error and the error caused by the boundary penalty. We bound the approximation error in $H^{1}$ norm with $\mathrm{ReLU}^{2}$ networks and control the statistical error via Rademacher complexity. In particular, we derive the bound on the Rademacher complexity of the non-Lipschitz composition of gradient norm with $\mathrm{ReLU}^{2}$ network, which is of immense independent interest. We also analysis the error inducing by the boundary penalty method and give a prior rule for tuning the penalty parameter.

math.NA↗

Calculation of Cauchy stress tensor in molecular dynamics system with a generalized Irving-Kirkwood formulism

Irving and Kirkwood formulism (IK formulism) provides a way to compute continuum mechanics quantities at certain location in terms of molecular variables. To make the approach more practical in computer simulation, Hardy proposed to use a spacial kernel function that couples continuum quantities with atomistic information. To reduce irrational fluctuations, Murdoch proposed to use a temporal kernel function to smooth the physical quantities obtained in Hardy's approach. In this paper, we generalize the original IK formulism to systematically incorporate both spacial and temporal average. The Cauchy stress tensor is derived in this generalized IK formulism (g-IK formulism). Analysis is given to illuminate the connection and difference between g-IK formulism and traditional temporal post-process approach. The relationship between Cauchy stress and first Piola-Kirchhoff stress is restudied in the framework of g-IK formulism. Numerical experiments using molecular dynamics are conducted to examine the analysis results.

physics.comp-ph↗

Accurate Evaluations of Strain and Stress in Atomistic Simulations of Crystalline Solids

In this paper, we study the accuracy of Irving-Kirkwood type of formulas for the approximation of continuum quantities from atomistic simulations. Such formulas are derived by expressing the displacement, deformation gradient and stress in terms of certain kernel functions. We propose two criteria for choosing the kernel functions to significantly improve the sampling accuracy. We present a simple procedure to construct kernel functions that meet these criteria. Further, numerical tests on homogeneous and non-homogeneous systems provide validations for our analysis.

physics.comp-ph↗