A linearly implicit conservative difference scheme for the generalized Rosenau-Kawahara-RLW equation

This paper concerns the numerical study for the generalized Rosenau-Kawahara-RLW equation obtained by coupling the generalized Rosenau-RLW equation and the generalized Rosenau-Kawahara equation. We first derive the energy conservation law of the equation, and then develop a three-level linearly implicit difference scheme for solving the equation. We prove that the proposed scheme is energy-conserved, unconditionally stable and second-order accurate both in time and space variables. Finally, numerical experiments are carried out to confirm the energy conservation, the convergence rates of the scheme and effectiveness for long-time simulation.Comment: accepted in Applied Mathmatics and Computation

An energy preserving finite difference scheme for the Poisson-Nernst-Planck system

In this paper, we construct a semi-implicit finite difference method for the time dependent Poisson-Nernst-Planck system. Although the Poisson-Nernst-Planck system is a nonlinear system, the numerical method presented in this paper only needs to solve a linear system at each time step, which can be done very efficiently. The rigorous proof for the mass conservation and electric potential energy decay are shown. Moreover, mesh refinement analysis shows that the method is second order convergent in space and first order convergent in time. Finally we point out that our method can be easily extended to the case of multi-ions.Comment: 13 pages, 7 Postscript figures, uses elsart1p.cl

A three-level linearized difference scheme for the coupled nonlinear fractional Ginzburg-Landau equation

In this paper, the coupled fractional Ginzburg-Landau equations are first time investigated numerically. A linearized implicit finite difference scheme is proposed. The scheme involves three time levels, is unconditionally stable and second-order accurate in both time and space variables. The unique solvability, the unconditional stability and optimal pointwise error estimates are obtained by using the energy method and mathematical induction. Moreover, the proposed second-order method can be easily extended into the fourth-order method by using an average finite difference operator for spatial fractional derivatives and Richardson extrapolation for time variable. Finally, numerical results are presented to confirm the theoretical results.Comment: 17 pages, 2 figure

Some symmetric qq-congruences

We prove some symmetric $q$-congruences.Comment: 11 pages. This is a very very preliminary manuscript. And some results will be added in the future verision

Divisibility of some binomial sums

With help of $q$-congruence, we prove the divisibility of some binomial sums. For example, for any integers $\rho,n\geq 2$, $$\sum_{k=0}^{n-1}(4k+1) \binom{2k}{k}^\rho \cdot (-4)^{\rho(n-1-k)} \equiv 0\pmod{2^{\rho-2}n\binom{2n}{n}}.$$Comment: This is a very preliminary, which maybe contains some minor mistake

A new extrapolation cascadic multigrid method for 3D elliptic boundary value problems on rectangular domains

In this paper, we develop a new extrapolation cascadic multigrid (ECMG$_{jcg}$) method, which makes it possible to solve 3D elliptic boundary value problems on rectangular domains of over 100 million unknowns on a desktop computer in minutes. First, by combining Richardson extrapolation and tri-quadratic Serendipity interpolation techniques, we introduce a new extrapolation formula to provide a good initial guess for the iterative solution on the next finer grid, which is a third order approximation to the finite element (FE) solution. And the resulting large sparse linear system from the FE discretization is then solved by the Jacobi-preconditioned Conjugate Gradient (JCG) method. Additionally, instead of performing a fixed number of iterations as cascadic multigrid (CMG) methods, a relative residual stopping criterion is used in iterative solvers, which enables us to obtain conveniently the numerical solution with the desired accuracy. Moreover, a simple Richardson extrapolation is used to cheaply get a fourth order approximate solution on the entire fine grid. Test results are reported to show that ECMG$_{jcg}$ has much better efficiency compared to the classical MG methods. Since the initial guess for the iterative solution is a quite good approximation to the FE solution, numerical results show that only few number of iterations are required on the finest grid for ECMG$_{jcg}$ with an appropriate tolerance of the relative residual to achieve full second order accuracy, which is particularly important when solving large systems of equations and can greatly reduce the computational cost. It should be pointed out that when the tolerance becomes smaller, ECMG$_{jcg}$ still needs only few iterations to obtain fourth order extrapolated solution on each grid, except on the finest grid. Finally, we present the reason why our ECMG algorithms are so highly efficient for solving such problems.Comment: 20 pages, 4 figures, 10 tables; abbreviated abstrac

An extrapolation cascadic multigrid method combined with a fourth order compact scheme for 3D poisson equation

In this paper, we develop an EXCMG method to solve the three-dimensional Poisson equation on rectangular domains by using the compact finite difference (FD) method with unequal meshsizes in different coordinate directions. The resulting linear system from compact FD discretization is solved by the conjugate gradient (CG) method with a relative residual stopping criterion. By combining the Richardson extrapolation and tri-quartic Lagrange interpolation for the numerical solutions from two-level of grids (current and previous grids), we are able to produce an extremely accurate approximation of the actual numerical solution on the next finer grid, which can greatly reduce the number of relaxation sweeps needed. Additionally, a simple method based on the midpoint extrapolation formula is used for the fourth-order FD solutions on two-level of grids to achieve sixth-order accuracy on the entire fine grid cheaply and directly. The gradient of the numerical solution can also be easily obtained through solving a series of tridiagonal linear systems resulting from the fourth-order compact FD discretizations. Numerical results show that our EXCMG method is much more efficient than the classical V-cycle and W-cycle multigrid methods. Moreover, only few CG iterations are required on the finest grid to achieve full fourth-order accuracy in both the $L^2$-norm and $L^{\infty}$-norm for the solution and its gradient when the exact solution belongs to $C^6$. Finally, numerical result shows that our EXCMG method is still effective when the exact solution has a lower regularity, which widens the scope of applicability of our EXCMG method.Comment: Accepted for publication in Journal of Scientific Computing. arXiv admin note: text overlap with arXiv:1506.0298

A fourth-order maximum principle preserving operator splitting scheme for three-dimensional fractional Allen-Cahn equations

In this paper, by using Strang's second-order splitting method, the numerical procedure for the three-dimensional (3D) space fractional Allen-Cahn equation can be divided into three steps. The first and third steps involve an ordinary differential equation, which can be solved analytically. The intermediate step involves a 3D linear fractional diffusion equation, which is solved by the Crank-Nicolson alternating directional implicit (ADI) method. The ADI technique can convert the multidimensional problem into a series of one-dimensional problems, which greatly reduces the computational cost. A fourth-order difference scheme is adopted for discretization of the space fractional derivatives. Finally, Richardson extrapolation is exploited to increase the temporal accuracy. The proposed method is shown to be unconditionally stable by Fourier analysis. Another contribution of this paper is to show that the numerical solutions satisfy the discrete maximum principle under reasonable time step constraint. For fabricated smooth solutions, numerical results show that the proposed method is unconditionally stable and fourth-order accurate in both time and space variables. In addition, the discrete maximum principle is also numerically verified.Comment: 24 pages, 7 figures, 10 table

Quadratic Decomposable Submodular Function Minimization: Theory and Practice (Computation and Analysis of PageRank over Hypergraphs)

We introduce a new convex optimization problem, termed quadratic decomposable submodular function minimization (QDSFM), which allows to model a number of learning tasks on graphs and hypergraphs. The problem exhibits close ties to decomposable submodular function minimization (DSFM), yet is much more challenging to solve. We approach the problem via a new dual strategy and formulate an objective that can be optimized through a number of double-loop algorithms. The outer-loop uses either random coordinate descent (RCD) or alternative projection (AP) methods, for both of which we prove linear convergence rates. The inner-loop computes projections onto cones generated by base polytopes of the submodular functions, via the modified min-norm-point or Frank-Wolfe algorithm. We also describe two new applications of QDSFM: hypergraph-adapted PageRank and semi-supervised learning. The proposed hypergraph-based PageRank algorithm can be used for local hypergraph partitioning, and comes with provable performance guarantees. For hypergraph-adapted semi-supervised learning, we provide numerical experiments demonstrating the efficiency of our QDSFM solvers and their significant improvements on prediction accuracy when compared to state-of-the-art methods.Comment: A part of the work appeared in NeurIPS 2018. The current version is to appear in JMLR. arXiv admin note: substantial text overlap with arXiv:1806.0984

Electronic structures and Raman features of a carbon nanobud

By employing the first-principles calculations, we investigate electronic properties of a novel carbon nanostructure called a carbon nanobud, in which a $C_{60}$ molecule covalently attaches or embeds in an armchair carbon nanotube. We find that the carbon nanobud exhibits either semiconducting or metallic behavior, depending on the size of the nanotube, as well as the combination mode. Moreover, with respect to the case of the corresponding pristine nanotubes, some new electronic states appear at 0.3-0.8 eV above the Fermi level for the carbon nanobuds with the attaching mode, which agrees well with the experimental reports. In addition, the vibrational properties of the carbon nanobuds are explored. The characteristic Raman active modes for both $C_{60}$ and the corresponding pristine nanotube present in Raman spectra of the carbon nanobuds with attaching modes, consistent with the observations of a recent experiment. In contrast, such situation does not appear for the case of the carbon nanobud with the embedding mode. This indicates that the synthesized carbon nanobuds are probably of the attaching configuration rather than the embedding configuration.Comment: 5 pages, 4 figures. accepted by J. Phys. Chem.