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Many differential equations with physical backgrounds are described as gradient systems, which are evolution equations driven by the gradient of some functionals, and such problems have energy conservation or dissipation properties. For numerical computation of gradient systems, numerical schemes that inherit the energy structure of the equation play important roles, which are called structure-preserving. The discrete gradient method is one of the most classical framework of structure-preserving methods, which is at most second order accurate. In this paper, we develop a higher-order structure-preserving numerical method for gradient systems, which includes the discrete gradient method. We reformulate the gradient system as a coupled system and then apply the discontinuous Galerkin time-stepping method. Numerical examples suggests that the order of accuracy of our scheme is $(k+1)$ in general and $(2k+1)$ at nodal times, where $k$ is the degree of polynomials.

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In the area of query complexity of Boolean functions, the most widely studied cost measure of an algorithm is the worst-case number of queries made by it on an input. Motivated by the most natural cost measure studied in online algorithms, the competitive ratio, we consider a different cost measure for query algorithms for Boolean functions that captures the ratio of the cost of the algorithm and the cost of an optimal algorithm that knows the input in advance. The cost of an algorithm is its largest cost over all inputs. Grossman, Komargodski and Naor [ITCS'20] introduced this measure for Boolean functions, and dubbed it instance complexity. Grossman et al. showed, among other results, that monotone Boolean functions with instance complexity 1 are precisely those that depend on one or two variables. We complement the above-mentioned result of Grossman et al. by completely characterizing the instance complexity of symmetric Boolean functions. As a corollary we conclude that the only symmetric Boolean functions with instance complexity 1 are the Parity function and its complement. We also study the instance complexity of some graph properties like Connectivity and k-clique containment. In all the Boolean functions we study above, and those studied by Grossman et al., the instance complexity turns out to be the ratio of query complexity to minimum certificate complexity. It is a natural question to ask if this is the correct bound for all Boolean functions. We show a negative answer in a very strong sense, by analyzing the instance complexity of the Greater-Than and Odd-Max-Bit functions. We show that the above-mentioned ratio is linear in the input size for both of these functions, while we exhibit algorithms for which the instance complexity is a constant.

Miura surfaces are the solutions of a constrained nonlinear elliptic system of equations. This system is derived by homogenization from the Miura fold, which is a type of origami fold with multiple applications in engineering. A previous inquiry, gave suboptimal conditions for existence of solutions and proposed an $H^2$-conformal finite element method to approximate them. In this paper, the existence of Miura surfaces is studied using a mixed formulation. It is also proved that the constraints propagate from the boundary to the interior of the domain for well-chosen boundary conditions. Then, a numerical method based on a least-squares formulation, Taylor--Hood finite elements and a Newton method is introduced to approximate Miura surfaces. The numerical method is proved to converge at order one in space and numerical tests are performed to demonstrate its robustness.

When a system of first order linear ordinary differential equations has eigenvalues of large magnitude, its solutions exhibit complicated behaviour, such as high-frequency oscillations, rapid growth or rapid decay. The cost of representing such solutions using standard techniques typically grows with the magnitudes of the eigenvalues. As a consequence, the running times of standard solvers for ordinary differential equations also grow with the size of these eigenvalues. The solutions of scalar equations with slowly-varying coefficients, however, can be efficiently represented via slowly-varying phase functions, regardless of the magnitudes of the eigenvalues of the corresponding coefficient matrix. Here, we couple an existing solver for scalar equations which exploits this observation with a well-known technique for transforming a system of linear ordinary differential equations into scalar form. The result is a method for solving a large class of systems of linear ordinary differential equations in time independent of the magnitudes of the eigenvalues of their coefficient matrices. We discuss the results of numerical experiments demonstrating the properties of our algorithm.

The numerical solution of continuum damage mechanics (CDM) problems suffers from convergence-related challenges during the material softening stage, and consequently existing iterative solvers are subject to a trade-off between computational expense and solution accuracy. In this work, we present a novel unified arc-length (UAL) method, and we derive the formulation of the analytical tangent matrix and governing system of equations for both local and non-local gradient damage problems. Unlike existing versions of arc-length solvers that monolithically scale the external force vector, the proposed method treats the latter as an independent variable and determines the position of the system on the equilibrium path based on all the nodal variations of the external force vector. This approach renders the proposed solver substantially more efficient and robust than existing solvers used in CDM problems. We demonstrate the considerable advantages of the proposed algorithm through several benchmark 1D problems with sharp snap-backs and 2D examples under various boundary conditions and loading scenarios. The proposed UAL approach exhibits a superior ability of overcoming critical increments along the equilibrium path. Moreover, the proposed UAL method is 1-2 orders of magnitude faster than force-controlled arc-length and monolithic Newton-Raphson solvers.

We investigate the combinatorics of max-pooling layers, which are functions that downsample input arrays by taking the maximum over shifted windows of input coordinates, and which are commonly used in convolutional neural networks. We obtain results on the number of linearity regions of these functions by equivalently counting the number of vertices of certain Minkowski sums of simplices. We characterize the faces of such polytopes and obtain generating functions and closed formulas for the number of vertices and facets in a 1D max-pooling layer depending on the size of the pooling windows and stride, and for the number of vertices in a special case of 2D max-pooling.

In this paper, a high-order approximation to Caputo-type time-fractional diffusion equations involving an initial-time singularity of the solution is proposed. At first, we employ a numerical algorithm based on the Lagrange polynomial interpolation to approximate the Caputo derivative on the non-uniform mesh. Then truncation error rate and the optimal grading constant of the approximation on a graded mesh are obtained as $\min\{4-\alpha,r\alpha\}$ and $\frac{4-\alpha}{\alpha}$, respectively, where $\alpha\in(0,1)$ is the order of fractional derivative and $r\geq 1$ is the mesh grading parameter. Using this new approximation, a difference scheme for the Caputo-type time-fractional diffusion equation on graded temporal mesh is formulated. The scheme proves to be uniquely solvable for general $r$. Then we derive the unconditional stability of the scheme on uniform mesh. The convergence of the scheme, in particular for $r=1$, is analyzed for non-smooth solutions and concluded for smooth solutions. Finally, the accuracy of the scheme is verified by analyzing the error through a few numerical examples.

Time-parallel time integration has received a lot of attention in the high performance computing community over the past two decades. Indeed, it has been shown that parallel-in-time techniques have the potential to remedy one of the main computational drawbacks of parallel-in-space solvers. In particular, it is well-known that for large-scale evolution problems space parallelization saturates long before all processing cores are effectively used on today's large scale parallel computers. Among the many approaches for time-parallel time integration, ParaDiag schemes have proved themselves to be a very effective approach. In this framework, the time stepping matrix or an approximation thereof is diagonalized by Fourier techniques, so that computations taking place at different time steps can be indeed carried out in parallel. We propose here a new ParaDiag algorithm combining the Sherman-Morrison-Woodbury formula and Krylov techniques. A panel of diverse numerical examples illustrates the potential of our new solver. In particular, we show that it performs very well compared to different ParaDiag algorithms recently proposed in the literature.

Over the last two decades, the field of geometric curve evolutions has attracted significant attention from scientific computing. One of the most popular numerical methods for solving geometric flows is the so-called BGN scheme, which was proposed by Barrett, Garcke, and Nurnberg (J. Comput. Phys., 222 (2007), pp. 441{467), due to its favorable properties (e.g., its computational efficiency and the good mesh property). However, the BGN scheme is limited to first-order accuracy in time, and how to develop a higher-order numerical scheme is challenging. In this paper, we propose a fully discrete, temporal second-order parametric finite element method, which incorporates a mesh regularization technique when necessary, for solving geometric flows of curves. The scheme is constructed based on the BGN formulation and a semi-implicit Crank-Nicolson leap-frog time stepping discretization as well as a linear finite element approximation in space. More importantly, we point out that the shape metrics, such as manifold distance and Hausdorff distance, instead of function norms, should be employed to measure numerical errors. Extensive numerical experiments demonstrate that the proposed BGN-based scheme is second-order accurate in time in terms of shape metrics. Moreover, by employing the classical BGN scheme as a mesh regularization technique when necessary, our proposed second-order scheme exhibits good properties with respect to the mesh distribution.

We propose an approach to compute inner and outer-approximations of the sets of values satisfying constraints expressed as arbitrarily quantified formulas. Such formulas arise for instance when specifying important problems in control such as robustness, motion planning or controllers comparison. We propose an interval-based method which allows for tractable but tight approximations. We demonstrate its applicability through a series of examples and benchmarks using a prototype implementation.

Deep learning is usually described as an experiment-driven field under continuous criticizes of lacking theoretical foundations. This problem has been partially fixed by a large volume of literature which has so far not been well organized. This paper reviews and organizes the recent advances in deep learning theory. The literature is categorized in six groups: (1) complexity and capacity-based approaches for analyzing the generalizability of deep learning; (2) stochastic differential equations and their dynamic systems for modelling stochastic gradient descent and its variants, which characterize the optimization and generalization of deep learning, partially inspired by Bayesian inference; (3) the geometrical structures of the loss landscape that drives the trajectories of the dynamic systems; (4) the roles of over-parameterization of deep neural networks from both positive and negative perspectives; (5) theoretical foundations of several special structures in network architectures; and (6) the increasingly intensive concerns in ethics and security and their relationships with generalizability.

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