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David Shirokoff

Publications and source records attributed to David Shirokoff.

At least 19 recordsLinked to original sources

Adaptive Diagonally Implicit Runge-Kutta Methods Devoid of Order Reduction for Semilinear ODEs

Diagonally implicit Runge-Kutta (DIRK) methods are a prominent class of numerical methods for solving stiff systems of ordinary differential equations (ODEs). Stiffness does not only impose stability challenges on Runge-Kutta methods; it can also degrade the order of convergence. This so-called order reduction phenomenon occurs when assumptions used for classical convergence analysis, e.g., an asymptotically small step size, fail to hold. In a prior paper by the authors, sharp order conditions and global error bounds for Runge-Kutta methods were developed, which hold uniformly with respect to stiffness when applied to a wide class of semilinear ODEs. In this work, those conditions are leveraged to construct the first DIRK methods of order four and five which satisfy these conditions and thus do not exhibit order reduction. Numerical results demonstrate that for a broad class of relevant nonlinear test problems, these new methods successfully mitigate order reduction, accurately estimate local error via an embedding for adaptive step size control, and can outperform classical DIRK methods.

math.NA

Preconditioning and Linearly Implicit Time Integration for the Serre-Green-Naghdi Equations

The treatment of the differential PDE constraint poses a key challenge in computing the numerical solution of the Serre-Green-Naghdi (SGN) equations. In this work, we introduce a constant coefficient preconditioner for the SGN constraint operator and prove rigorous bounds on the preconditioned conditioning number. The conditioning bounds incorporate the effects of bathymetry in two dimensions, are quasi-optimal within a class of constant coefficient operators, highlight fundamental scalings for a loss of conditioning, and ensure mesh independent performance for iterative Krylov methods. Utilizing the conditioning bounds, we devise and test two time integration strategies for solving the full SGN equations. The first class combines classical explicit time integration schemes (4th order Runge-Kutta and 2nd--4th order Adams-Bashforth) with the new preconditioner. The second is a linearly implicit scheme where the differential constraint is split into a constant coefficient implicit part and remaining (stiff) explicit part. The linearly implicit methods require a single linear solve of a constant coefficient operator at each time step. We provide a host of computational experiments that validate the robustness of the preconditioners, as well as full solutions of the SGN equations including solitary waves traveling over an underwater shelf (in 1d) and a circular bump (in 2d).

math.NA

A Stiff Order Condition Theory for Runge-Kutta Methods Applied to Semilinear ODEs

Classical convergence theory of Runge-Kutta methods assumes that the time step is small relative to the Lipschitz constant of the ordinary differential equation (ODE). For stiff problems, that assumption is often violated, and a problematic degradation in accuracy, known as order reduction, can arise. Methods with high stage order, e.g., Gauss-Legendre and Radau, are known to avoid order reduction, but they must be fully implicit. For the broad class of semilinear ODEs, which consist of a stiff linear term and non-stiff nonlinear term, we show that weaker conditions suffice. Our new semilinear order conditions are formulated in terms of orthogonality relations and can be enumerated by rooted trees. Finally, we prove global error bounds that hold uniformly with respect to stiffness of the linear term.

math.NA

Convergence of Markov Chains for Constant Step-size Stochastic Gradient Descent with Separable Functions

Stochastic gradient descent (SGD) is a popular algorithm for minimizing objective functions that arise in machine learning. For constant step-sized SGD, the iterates form a Markov chain on a general state space. Focusing on a class of separable (non-convex) objective functions, we establish a "Doeblin-type decomposition," in that the state space decomposes into a uniformly transient set and a disjoint union of absorbing sets. Each of the absorbing sets contains a unique invariant measure, with the set of all invariant measures being the convex hull. Moreover the set of invariant measures are shown to be global attractors to the Markov chain with a geometric convergence rate. The theory is highlighted with examples that show: (1) the failure of the diffusion approximation to characterize the long-time dynamics of SGD; (2) the global minimum of an objective function may lie outside the support of the invariant measures (i.e., even if initialized at the global minimum, SGD iterates will leave); and (3) bifurcations may enable the SGD iterates to transition between two local minima. Key ingredients in the theory involve viewing the SGD dynamics as a monotone iterated function system and establishing a "splitting condition" of Dubins and Freedman 1966 and Bhattacharya and Lee 1988.

math.OC

Algebraic Conditions for Stability in Runge-Kutta Methods and Their Certification via Semidefinite Programming

In this work, we present approaches to rigorously certify $A$- and $A(\alpha)$-stability in Runge-Kutta methods through the solution of convex feasibility problems defined by linear matrix inequalities. We adopt two approaches. The first is based on sum-of-squares programming applied to the Runge-Kutta $E$-polynomial and is applicable to both $A$- and $A(\alpha)$-stability. In the second, we sharpen the algebraic conditions for $A$-stability of Cooper, Scherer, T{\"u}rke, and Wendler to incorporate the Runge-Kutta order conditions. We demonstrate how the theoretical improvement enables the practical use of these conditions for certification of $A$-stability within a computational framework. We then use both approaches to obtain rigorous certificates of stability for several diagonally implicit schemes devised in the literature.

math.NA

Explicit Runge Kutta Methods that Alleviate Order Reduction

Explicit Runge--Kutta (RK) methods are susceptible to a reduction in the observed order of convergence when applied to initial-boundary value problem with time-dependent boundary conditions. We study conditions on explicit RK methods that guarantee high-order convergence for linear problems; we refer to these conditions as weak stage order conditions. We prove a general relationship between the method's order, weak stage order, and number of stages. We derive explicit RK methods with high weak stage order and demonstrate, through numerical tests, that they avoid the order reduction phenomenon up to any order for linear problems and up to order three for nonlinear problems.

math.NA

Design of DIRK Schemes with High Weak Stage Order

Runge-Kutta (RK) methods may exhibit order reduction when applied to certain stiff problems. While fully implicit RK schemes exist that avoid order reduction via high-stage order, DIRK (diagonally implicit Runge-Kutta) schemes are practically important due to their structural simplicity; however, these cannot possess high stage order. The concept of weak stage order (WSO) can also overcome order reduction, and it is compatible with the DIRK structure. DIRK schemes of WSO up to 3 have been proposed in the past, however, based on a simplified framework that cannot be extended beyond WSO 3. In this work a general theory of WSO is employed to overcome the prior WSO barrier and to construct practically useful high-order DIRK schemes with WSO 4 and above. The resulting DIRK schemes are stiffly accurate, L-stable, have optimized error coefficients, and are demonstrated to perform well on a portfolio of relevant ODE and PDE test problems.

math.NA

Algebraic Structure of the Weak Stage Order Conditions for Runge-Kutta Methods

Runge-Kutta (RK) methods may exhibit order reduction when applied to stiff problems. For linear problems with time-independent operators, order reduction can be avoided if the method satisfies certain weak stage order (WSO) conditions, which are less restrictive than traditional stage order conditions. This paper outlines the first algebraic theory of WSO, and establishes general order barriers that relate the WSO of a RK scheme to its order and number of stages for both fully-implicit and DIRK schemes. It is shown in several scenarios that the constructed bounds are sharp. The theory characterizes WSO in terms of orthogonal invariant subspaces and associated minimal polynomials. The resulting necessary conditions on the structure of RK methods with WSO are then shown to be of practical use for the construction of such schemes.

math.NA

High-order Methods for a Pressure Poisson Equation Reformulation of the Navier-Stokes Equations with Electric Boundary Conditions

Pressure Poisson equation (PPE) reformulations of the incompressible Navier-Stokes equations (NSE) replace the incompressibility constraint by a Poisson equation for the pressure and a suitable choice of boundary conditions. This yields a time-evolution equation for the velocity field only, with the pressure gradient acting as a nonlocal operator. Thus, numerical methods based on PPE reformulations, in principle, have no limitations in achieving high order. In this paper, it is studied to what extent high-order methods for the NSE can be obtained from a specific PPE reformulation with electric boundary conditions (EBC). To that end, implicit-explicit (IMEX) time-stepping is used to decouple the pressure solve from the velocity update, while avoiding a parabolic time-step restriction; and mixed finite elements are used in space, to capture the structure imposed by the EBC. Via numerical examples, it is demonstrated that the methodology can yield at least third order accuracy in space and time.

math.NA

Oscillatory thermocapillary instability of a film heated by a thick substrate

In this work we consider a new class of oscillatory instabilities that pertain to thermocapillary destabilization of a liquid film heated by a solid substrate. We assume the substrate thickness and substrate-film thermal conductivity ratio are large so that the effect of substrate thermal diffusion is retained at leading order in the long-wave approximation. As a result, system dynamics are described by a nonlinear partial differential equation for the film thickness that is nonlocally coupled to the full substrate heat equation. Perturbing about a steady quiescent state, we find that its stability is described by a non-self adjoint eigenvalue problem. We show that, under appropriate model parameters, the linearized eigenvalue problem admits complex eigenvalues that physically correspond to oscillatory (in time) instabilities of the thin film height. As the principal results of our work, we provide a complete picture of the susceptibility to oscillatory instabilities for different model parameters. Using this description, we conclude that oscillatory instabilities are more relevant experimentally for films heated by insulating substrates. Furthermore, we show that oscillatory instability where the fastest-growing (most unstable) wavenumber is complex, arises only for systems with sufficiently large substrate thicknesses.

physics.flu-dyn

DIRK Schemes with High Weak Stage Order

Runge-Kutta time-stepping methods in general suffer from order reduction: the observed order of convergence may be less than the formal order when applied to certain stiff problems. Order reduction can be avoided by using methods with high stage order. However, diagonally-implicit Runge-Kutta (DIRK) schemes are limited to low stage order. In this paper we explore a weak stage order criterion, which for initial boundary value problems also serves to avoid order reduction, and which is compatible with a DIRK structure. We provide specific DIRK schemes of weak stage order up to 3, and demonstrate their performance in various examples.

math.NA

Unconditional Stability for Multistep ImEx Schemes: Practice

This paper focuses on the question of how unconditional stability can be achieved via multistep ImEx schemes, in practice problems where both the implicit and explicit terms are allowed to be stiff. For a class of new ImEx multistep schemes that involve a free parameter, strategies are presented on how to choose the ImEx splitting and the time stepping parameter, so that unconditional stability is achieved under the smallest approximation errors. These strategies are based on recently developed stability concepts, which also provide novel insights into the limitations of existing semi-implicit backward differentiation formulas (SBDF). For instance, the new strategies enable higher order time stepping that is not otherwise possible with SBDF. With specific applications in nonlinear diffusion problems and incompressible channel flows, it is demonstrated how the unconditional stability property can be leveraged to efficiently solve stiff nonlinear or nonlocal problems without the need to solve nonlinear or nonlocal problems implicitly.

math.NA

Spatial Manifestations of Order Reduction in Runge-Kutta Methods for Initial Boundary Value Problems

This paper studies the spatial manifestations of order reduction that occur when time-stepping initial-boundary-value problems (IBVPs) with high-order Runge-Kutta methods. For such IBVPs, geometric structures arise that do not have an analog in ODE IVPs: boundary layers appear, induced by a mismatch between the approximation error in the interior and at the boundaries. To understand those boundary layers, an analysis of the modes of the numerical scheme is conducted, which explains under which circumstances boundary layers persist over many time steps. Based on this, two remedies to order reduction are studied: first, a new condition on the Butcher tableau, called weak stage order, that is compatible with diagonally implicit Runge-Kutta schemes; and second, the impact of modified boundary conditions on the boundary layer theory is analyzed.

math.NA

Unconditional Stability for Multistep ImEx Schemes: Theory

This paper presents a new class of high order linear ImEx multistep schemes with large regions of unconditional stability. Unconditional stability is a desirable property of a time stepping scheme, as it allows the choice of time step solely based on accuracy considerations. Of particular interest are problems for which both the implicit and explicit parts of the ImEx splitting are stiff. Such splittings can arise, for example, in variable-coefficient problems, or the incompressible Navier-Stokes equations. To characterize the new ImEx schemes, an unconditional stability region is introduced, which plays a role analogous to that of the stability region in conventional multistep methods. Moreover, computable quantities (such as a numerical range) are provided that guarantee an unconditionally stable scheme for a proposed implicit-explicit matrix splitting. The new approach is illustrated with several examples. Coefficients of the new schemes up to fifth order are provided.

math.NA

Approximate global minimizers to pairwise interaction problems via convex relaxation

We present a new approach for computing approximate global minimizers to a large class of non-local pairwise interaction problems defined over probability distributions. The approach predicts candidate global minimizers, with a recovery guarantee, that are sometimes exact, and often within a few percent of the optimum energy (under appropriate normalization of the energy). The procedure relies on a convex relaxation of the pairwise energy that exploits translational symmetry, followed by a recovery procedure that minimizes a relative entropy. Numerical discretizations of the convex relaxation yield a linear programming problem over convex cones that can be solved using well-known methods. One advantage of the approach is that it provides sufficient conditions for global minimizers to a non-convex quadratic variational problem, in the form of a linear, convex, optimization problem for the auto-correlation of the probability density. We demonstrate the approach in a periodic domain for examples arising from models in materials, social phenomena and flocking. The approach also exactly recovers the global minimizer when a lattice of Dirac masses solves the convex relaxation. An important by-product of the relaxation is a decomposition of the pairwise energy functional into the sum of a convex functional and non-convex functional. We observe that in some cases, the non-convex component of the decomposition can be used to characterize the support of the recovered minimizers.

math.NA

A Fourier penalty method for solving the time-dependent Maxwell's equations in domains with curved boundaries

We present a high order, Fourier penalty method for the Maxwell's equations in the vicinity of perfect electric conductor boundary conditions. The approach relies on extending the smooth non-periodic domain of the equations to a periodic domain by removing the exact boundary conditions and introducing an analytic forcing term in the extended domain. The forcing, or penalty term is chosen to systematically enforce the boundary conditions to high order in the penalty parameter, which then allows for higher order numerical methods. We present an efficient numerical method for constructing the penalty term, and discretize the resulting equations using a Fourier spectral method. We demonstrate convergence orders of up to 3.5 for the one-dimensional Maxwell's equations, and show that the numerical method does not suffer from dispersion (or pollution) errors. We also illustrate the approach in two dimensions and demonstrate convergence orders of 2.5 for transverse magnetic modes and 1.5 for the transverse electric modes. We conclude the paper with numerous test cases in dimensions two and three including waves traveling in an irregular waveguide, and scattering off of a windmill-like geometry.

math.NA

Meshfree finite differences for vector Poisson and pressure Poisson equations with electric boundary conditions

We demonstrate how meshfree finite difference methods can be applied to solve vector Poisson problems with electric boundary conditions. In these, the tangential velocity and the incompressibility of the vector field are prescribed at the boundary. Even on irregular domains with only convex corners, canonical nodal-based finite elements may converge to the wrong solution due to a version of the Babuska paradox. In turn, straightforward meshfree finite differences converge to the true solution, and even high-order accuracy can be achieved in a simple fashion. The methodology is then extended to a specific pressure Poisson equation reformulation of the Navier-Stokes equations that possesses the same type of boundary conditions. The resulting numerical approach is second order accurate and allows for a simple switching between an explicit and implicit treatment of the viscosity terms.

math.NA

Bouncing droplets on a billiard table

In a set of experiments, Couder et. al. demonstrate that an oscillating fluid bed may propagate a bouncing droplet through the guidance of the surface waves. We present a dynamical systems model, in the form of an iterative map, for a droplet on an oscillating bath. We examine the droplet bifurcation from bouncing to walking, and prescribe general requirements for the surface wave to support stable walking states. We show that in addition to walking, there is a region of large forcing that may support the chaotic bouncing of the droplet. Using the map, we then investigate the droplet trajectories for two different wave responses in a square (billiard ball) domain. We show that for waves which are quickly damped in space, the long time trajectories in a square domain are either non-periodic dense curves, or approach a quasiperiodic orbit. In contrast, for waves which extend over many wavelengths, at low forcing, trajectories tend to approach an array of circular attracting sets. As the forcing increases, the attracting sets break down and the droplet travels throughout space.

nlin.CD