We review recent results on the connection between Hermite-Pad\'e approximation problem, multiple orthogonal polynomials, and multidimensional Toda equations in continuous and discrete time. In order to motivate interest in the subject we first present a pedagogical introduction to the classical, by now, relation between the Pad\'e approximation problem, orthogonal polynomials, and the Toda lattice equations. We describe also briefly generalization of the connection to the interpolation problems and to the non-commutative algebra level.
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Stochastic differential equation (SDE in short) solvers find numerous applications across various fields. However, in practical simulations, we usually resort to using Ito-Taylor series-based methods like the Euler-Maruyama method. These methods often suffer from the limitation of fixed time scales and recalculations for different Brownian motions, which lead to computational inefficiency, especially in generative and sampling models. To address these issues, we propose a novel approach: learning a mapping between the solution of SDE and corresponding Brownian motion. This mapping exhibits versatility across different scales and requires minimal paths for training. Specifically, we employ the DeepONet method to learn a nonlinear mapping. And we also assess the efficiency of this method through simulations conducted at varying time scales. Additionally, we evaluate its generalization performance to verify its good versatility in different scenarios.
In this paper, we present a rigorous analysis of root-exponential convergence of Hermite approximations, including projection and interpolation methods, for functions that are analytic in an infinite strip containing the real axis and satisfy certain restrictions on the asymptotic behavior at infinity within this strip. Asymptotically sharp error bounds in the weighted and maximum norms are derived. The key ingredients of our analysis are some remarkable contour integral representations for the Hermite coefficients and the remainder of Hermite spectral interpolations. Further extensions to Gauss--Hermite quadrature, Hermite spectral differentiations, generalized Hermite spectral approximations and the scaling factor of Hermite approximation are also discussed. Numerical experiments confirm our theoretical results.
This work is concerned with solving high-dimensional Fokker-Planck equations with the novel perspective that solving the PDE can be reduced to independent instances of density estimation tasks based on the trajectories sampled from its associated particle dynamics. With this approach, one sidesteps error accumulation occurring from integrating the PDE dynamics on a parameterized function class. This approach significantly simplifies deployment, as one is free of the challenges of implementing loss terms based on the differential equation. In particular, we introduce a novel class of high-dimensional functions called the functional hierarchical tensor (FHT). The FHT ansatz leverages a hierarchical low-rank structure, offering the advantage of linearly scalable runtime and memory complexity relative to the dimension count. We introduce a sketching-based technique that performs density estimation over particles simulated from the particle dynamics associated with the equation, thereby obtaining a representation of the Fokker-Planck solution in terms of our ansatz. We apply the proposed approach successfully to three challenging time-dependent Ginzburg-Landau models with hundreds of variables.
Numerical analysis for the stochastic Stokes equations is still challenging even though it has been well done for the corresponding deterministic equations. In particular, the pre-existing error estimates of finite element methods for the stochastic Stokes equations { in the $L^\infty(0, T; L^2(\Omega; L^2))$ norm} all suffer from the order reduction with respect to the spatial discretizations. The best convergence result obtained for these fully discrete schemes is only half-order in time and first-order in space, which is not optimal in space in the traditional sense. The objective of this article is to establish strong convergence of $O(\tau^{1/2}+ h^2)$ in the $L^\infty(0, T; L^2(\Omega; L^2))$ norm for approximating the velocity, and strong convergence of $O(\tau^{1/2}+ h)$ in the $L^{\infty}(0, T;L^2(\Omega;L^2))$ norm for approximating the time integral of pressure, where $\tau$ and $h$ denote the temporal step size and spatial mesh size, respectively. The error estimates are of optimal order for the spatial discretization considered in this article (with MINI element), and consistent with the numerical experiments. The analysis is based on the fully discrete Stokes semigroup technique and the corresponding new estimates.
In this work we consider the two dimensional instationary Navier-Stokes equations with homogeneous Dirichlet/no-slip boundary conditions. We show error estimates for the fully discrete problem, where a discontinuous Galerkin method in time and inf-sup stable finite elements in space are used. Recently, best approximation type error estimates for the Stokes problem in the $L^\infty(I;L^2(\Omega))$, $L^2(I;H^1(\Omega))$ and $L^2(I;L^2(\Omega))$ norms have been shown. The main result of the present work extends the error estimate in the $L^\infty(I;L^2(\Omega))$ norm to the Navier-Stokes equations, by pursuing an error splitting approach and an appropriate duality argument. In order to discuss the stability of solutions to the discrete primal and dual equations, a specially tailored discrete Gronwall lemma is presented. The techniques developed towards showing the $L^\infty(I;L^2(\Omega))$ error estimate, also allow us to show best approximation type error estimates in the $L^2(I;H^1(\Omega))$ and $L^2(I;L^2(\Omega))$ norms, which complement this work.
In this paper, we investigate the numerical solution of the two-dimensional fractional Laplacian wave equations. After splitting out the Riesz fractional derivatives from the fractional Laplacian, we treat the Riesz fractional derivatives with an implicit scheme while solving the rest part explicitly. Thanks to the tensor structure of the Riesz fractional derivatives, a splitting alternative direction implicit (S-ADI) scheme is proposed by incorporating an ADI remainder. Then the Gohberg-Semencul formula, combined with fast Fourier transform, is proposed to solve the derived Toeplitz linear systems at each time integration. Theoretically, we demonstrate that the S-ADI scheme is unconditionally stable and possesses second-order accuracy. Finally, numerical experiments are performed to demonstrate the accuracy and efficiency of the S-ADI scheme.
We study the iterative methods for large moment systems derived from the linearized Boltzmann equation. By Fourier analysis, it is shown that the direct application of the block symmetric Gauss-Seidel (BSGS) method has slower convergence for smaller Knudsen numbers. Better convergence rates for dense flows are then achieved by coupling the BSGS method with the micro-macro decomposition, which treats the moment equations as a coupled system with a microscopic part and a macroscopic part. Since the macroscopic part contains only a small number of equations, it can be solved accurately during the iteration with a relatively small computational cost, which accelerates the overall iteration. The method is further generalized to the multiscale decomposition which splits the moment system into many subsystems with different orders of magnitude. Both one- and two-dimensional numerical tests are carried out to examine the performances of these methods. Possible issues regarding the efficiency and convergence are discussed in the conclusion.
In modern computational materials science, deep learning has shown the capability to predict interatomic potentials, thereby supporting and accelerating conventional simulations. However, existing models typically sacrifice either accuracy or efficiency. Moreover, lightweight models are highly demanded for offering simulating systems on a considerably larger scale at reduced computational costs. A century ago, Felix Bloch demonstrated how leveraging the equivariance of the translation operation on a crystal lattice (with geometric symmetry) could significantly reduce the computational cost of determining wavefunctions and accurately calculate material properties. Here, we introduce a lightweight equivariant interaction graph neural network (LEIGNN) that can enable accurate and efficient interatomic potential and force predictions in crystals. Rather than relying on higher-order representations, LEIGNN employs a scalar-vector dual representation to encode equivariant features. By extracting both local and global structures from vector representations and learning geometric symmetry information, our model remains lightweight while ensuring prediction accuracy and robustness through the equivariance. Our results show that LEIGNN consistently outperforms the prediction performance of the representative baselines and achieves significant efficiency across diverse datasets, which include catalysts, molecules, and organic isomers. Finally, to further validate the predicted interatomic potentials from our model, we conduct classical molecular dynamics (MD) and ab initio MD simulation across various systems, including solid, liquid, and gas. It is found that LEIGNN can achieve the accuracy of ab initio MD and retain the computational efficiency of classical MD across all examined systems, demonstrating its accuracy, efficiency, and universality.
In this study, we present a precise anisotropic interpolation error estimate for the Morley finite element method (FEM) and apply it to fourth-order elliptical equations. We did not impose a shape-regularity mesh condition for the analysis. Therefore, anisotropic meshes can be used. The main contributions of this study include providing new proof of the consistency term. This enabled us to obtain an anisotropic consistency error estimate. The core idea of the proof involves using the relationship between the Raviart--Thomas and Morley finite element spaces. Our results show optimal convergence rates and imply that the modified Morley FEM may be effective for errors.
We discuss avoidance of sure loss and coherence results for semicopulas and standardized functions, i.e., for grounded, 1-increasing functions with value $1$ at $(1,1,\ldots, 1)$. We characterize the existence of a $k$-increasing $n$-variate function $C$ fulfilling $A\leq C\leq B$ for standardized $n$-variate functions $A,B$ and discuss the method for constructing this function. Our proofs also include procedures for extending functions on some countably infinite mesh to functions on the unit box. We provide a characterization when $A$ respectively $B$ coincides with the pointwise infimum respectively supremum of the set of all $k$-increasing $n$-variate functions $C$ fulfilling $A\leq C\leq B$.
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