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The adoption of detailed mechanisms for chemical kinetics often poses two types of severe challenges: First, the number of degrees of freedom is large; and second, the dynamics is characterized by widely disparate time scales. As a result,…

Dynamical Systems · Mathematics 2025-10-01 Eliodoro Chiavazzo , C. William Gear , Carmeline J. Dsilva , Neta Rabin , Ioannis G. Kevrekidis

Driven by the advancement of GPUs and AI, the field of Computational Fluid Dynamics (CFD) is undergoing significant transformations. This paper bridges the gap between the machine learning and CFD communities by deconstructing…

Fluid Dynamics · Physics 2025-11-26 Neil Ashton , Johannes Brandstetter , Siddhartha Mishra

Most numerical methods for time integration use real-valued time steps. Complex time steps, however, can provide an additional degree of freedom, as we can select the magnitude of the time step in both the real and imaginary directions. We…

Numerical Analysis · Mathematics 2026-01-13 Jithin D. George , Julian Koellermeier , Samuel Y. Jung , Niall M. Mangan

Non-hydrostatic atmospheric models often use semi-implicit temporal discretisations in order to negate the time step limitation of explicitly resolving the fast acoustic and gravity waves. Solving the resulting system to machine precision…

Atmospheric and Oceanic Physics · Physics 2023-09-04 David Lee

We review some recent developments in numerical algorithms to solve the time-dependent Maxwell equations for systems with spatially varying permittivity and permeability. We show that the Suzuki product-formula approach can be used to…

Computational Physics · Physics 2007-05-23 H. De Raedt , J. S. Kole , K. F. L. Michielsen , M. T. Figge

Convergence analysis of Markov chain Monte Carlo methods in high-dimensional statistical applications is increasingly recognized. In this paper, we develop general mixing time bounds for Metropolis-Hastings algorithms on discrete spaces by…

Computation · Statistics 2025-07-29 Hyunwoong Chang , Quan Zhou

Demand for high-performance, robust, and safe autonomous systems has grown substantially in recent years. These objectives motivate the desire for efficient safety-theoretic reasoning that can be embedded in core decision-making tasks such…

Robotics · Computer Science 2022-12-27 Kristoffer M. Frey , Ted J. Steiner , Jonathan P. How

Preconditioning of a linear system obtained from spectral discretization of time-dependent PDEs often results in a full matrix which is expensive to compute and store specially when the problem size increases. A matrix-free implementation…

Statistics Theory · Mathematics 2016-06-09 A. Ghasemi , L. K. Taylor

Computer simulation is an important tool for scientific progress, especially when lab experiments are either extremely costly and difficult or lack the required resolution. However, all of the simulation methods come with limitations. In…

Fluid Dynamics · Physics 2023-08-04 Edward R. Smith , Panagiotis E. Theodorakis

Partial observations of continuous time-series dynamics at arbitrary time stamps exist in many disciplines. Fitting this type of data using statistical models with continuous dynamics is not only promising at an intuitive level but also has…

Machine Learning · Computer Science 2021-10-29 Ruizhi Deng , Marcus A. Brubaker , Greg Mori , Andreas M. Lehrmann

At high Reynolds numbers, the use of explicit in time compressible flow simulations with spectral/$hp$ element discretization can become significantly limited by time step. To alleviate this limitation we extend the capability of the…

An effective paradigm for simulating the dynamics of robots that locomote and manipulate is multi-rigid body simulation with rigid contact. This paradigm provides reasonable tradeoffs between accuracy, running time, and simplicity of…

Robotics · Computer Science 2016-08-09 Evan M. Drumwright

The immersed boundary (IB) method is an approach to fluid-structure interaction that uses Lagrangian variables to describe the structure and Eulerian variables to describe the fluid. Explicit time stepping schemes for the IB method require…

Numerical Analysis · Mathematics 2017-04-06 Robert D. Guy , Bobby Philip , Boyce E. Griffith

We describe an efficient implementation of a recent simplex-type algorithm for the exact solution of separated continuous linear programs, and compare it with linear programming approximation of these problems obtained via discretization of…

Optimization and Control · Mathematics 2021-10-07 Evgeny Shindin , Michael Masin , Gideon Weiss , Alexander Zadorojniy

Matrix evolution equations occur in many applications, such as dynamical Lyapunov/Sylvester systems or Riccati equations in optimization and stochastic control, machine learning or data assimilation. In many such problems, the dominant…

Numerical Analysis · Mathematics 2026-02-12 Nayef Shkeir , Tobias Grafke

Numerical ice sheet models compute evolving ice geometry and velocity fields using various stress-balance approximations and boundary conditions. At high spatial resolution, with horizontal mesh/grid resolutions of a few kilometers or…

Computational Physics · Physics 2023-08-16 Ed Bueler

A dual time-stepping strategy of gas-kinetic scheme for the simulation of unsteady flows is introduced in this work. The dual time-stepping strategy is always used in the approaches of unsteady flows, and the ability of dual time-stepping…

Fluid Dynamics · Physics 2017-05-31 Ji Li , Chengwen Zhong , Yong Wang , Congshan Zhuo

Learning computational fluid dynamics (CFD) traditionally relies on computationally intensive simulations of the Navier-Stokes equations. Recently, large language models (LLMs) have shown remarkable pattern recognition and reasoning…

Machine Learning · Computer Science 2024-06-10 Max Zhu , Adrián Bazaga , Pietro Liò

Traditional step size controllers make the tacit assumption that the cost of a time step is independent of the step size. This is reasonable for explicit and implicit integrators that use direct solvers. In the context of exponential…

Numerical Analysis · Mathematics 2022-08-18 Pranab Jyoti Deka , Lukas Einkemmer

In plasma edge simulations, kinetic Monte Carlo (MC) is often used to simulate neutral particles and estimate source terms. For large-sized reactors, like ITER and DEMO, high particle collision rates lead to a substantial computational cost…

Computational Engineering, Finance, and Science · Computer Science 2025-09-16 Zhirui Tang , Emil Løvbak , Julian Koellermeier , Giovanni Samaey