Differential equation software for the computation of error-controlled continuous approximate solutions
In this paper, we survey selected software packages for the numerical solution of boundary value ODEs (BVODEs), time-dependent PDEs in one spatial dimension (1DPDEs), and initial value ODEs (IVODEs). A unifying theme of this paper is our focus on ...
Validated B-series and Runge-Kutta pairs
Considering validated Runge-Kutta schemes requires the computation of local truncation error. Computation of such error is expensive in term of complexity, thus few techniques have been proposed to compute or at least estimate it. For example, ...
Using a library of chemical reactions to fit systems of ordinary differential equations to agent-based models: a machine learning approach
In this paper, we introduce a new method based on a library of chemical reactions for constructing a system of ordinary differential equations from stochastic simulations arising from an agent-based model. The advantage of this approach is that ...
Second-order Rosenbrock-exponential (ROSEXP) methods for partitioned differential equations
In this paper, we introduce a new framework for deriving partitioned implicit-exponential integrators for stiff systems of ordinary differential equations and construct several time integrators of this type. The new approach is suited for solving ...
Stabilization of parareal algorithms for long-time computation of a class of highly oscillatory Hamiltonian flows using data
Applying parallel-in-time algorithms to multiscale Hamiltonian systems to obtain stable long-time simulations is very challenging. In this paper, we present novel data-driven methods aimed at improving the standard parareal algorithm developed by ...
Discrete gradients in short-range molecular dynamics simulations
Discrete gradients (DG) or more exactly discrete gradient methods are time integration schemes that are custom-built to preserve first integrals or Lyapunov functions of a given ordinary differential equation (ODE). In conservative molecular ...
An explicit 16-stage Runge–Kutta method of order 10 discovered by numerical search
This article presents the discovery of an explicit 16-stage Runge–Kutta method that numerically satisfies the Runge–Kutta order conditions (in Butcher form) to 10th order, conjecturally improving the best-known number of stages in an explicit 10th-...
A new family of fourth-order energy-preserving integrators
For Hamiltonian systems with non-canonical structure matrices, a new family of fourth-order energy-preserving integrators is presented. The integrators take a form of a combination of Runge–Kutta methods and continuous-stage Runge–Kutta methods ...
High-order linearly implicit exponential integrators conserving quadratic invariants with application to scalar auxiliary variable approach
This paper proposes a framework for constructing high-order linearly implicit exponential integrators that conserve a quadratic invariant. This is then applied to the scalar auxiliary variable (SAV) approach. Quadratic invariants are significant ...
Properties and practicability of convergence-guaranteed optimization methods derived from weak discrete gradients
The ordinary differential equation (ODE) models of optimization methods allow for concise proofs of convergence rates through discussions based on Lyapunov functions. The weak discrete gradient (wDG) framework discretizes ODEs while preserving the ...
Nullspaces yield new explicit Runge–Kutta pairs
Sixty years ago, Butcher (Butcher Math. Soc. 3, 185–201 1963) characterized a natural tabulation of the order conditions for Runge–Kutta methods of order p as an isomorphism from the set of rooted trees having up to p nodes and provided examples ...
The effect of splitting strategy on qualitative property preservation
It is common for mathematical models of physical systems to possess qualitative properties such as positivity, monotonicity, or conservation of underlying physical behavior. When these models consist of differential equations, it is also common ...