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Molecular dynamics algorithms are subject to some amount of error dependent on the size of the time step that is used. This error can be corrected by periodically updating the system with a Metropolis criteria, where the integration step is…

Computational Physics · Physics 2015-06-11 Jason A. Wagoner , Vijay S. Pande

We introduce a recent symplectic integration scheme derived for solving physically motivated systems with non-separable Hamiltonians. We show its relevance to Riemannian manifold Hamiltonian Monte Carlo (RMHMC) and provide an alternative to…

Machine Learning · Statistics 2019-10-15 Adam D. Cobb , Atılım Güneş Baydin , Andrew Markham , Stephen J. Roberts

We present a family of multistep integrators based on the Adams-Bashforth methods. These schemes can be constructed for arbitrary convergence order with arbitrary step size variation. The step size can differ between different subdomains of…

Numerical Analysis · Mathematics 2020-06-19 William Throwe , Saul A. Teukolsky

Describing dynamics of a quantum system coupled to a complex many-body environment is a ubiquitous problem in quantum science. General non-Markovian environments are characterized by their influence matrix~(IM) -- a multi-time tensor…

Quantum Physics · Physics 2024-08-06 Ilia A. Luchnikov , Michael Sonner , Dmitry A. Abanin

Geometric numerical integration has recently been exploited to design symplectic accelerated optimization algorithms by simulating the Lagrangian and Hamiltonian systems from the variational framework introduced in Wibisono et al. In this…

Optimization and Control · Mathematics 2023-05-19 Valentin Duruisseaux , Melvin Leok

This work analyzes convergence times and robustness bounds for asynchronous distributed shortest-path computation. We focus on the Adaptive Bellman--Ford algorithm, a self-stabilizing method in which each agent updates its shortest-path…

Optimization and Control · Mathematics 2025-07-11 Jared Miller , Mattia Bianchi , Florian Dörfler

Numerous tasks at the core of statistics, learning and vision areas are specific cases of ill-posed inverse problems. Recently, learning-based (e.g., deep) iterative methods have been empirically shown to be useful for these problems.…

Computer Vision and Pattern Recognition · Computer Science 2018-08-17 Risheng Liu , Shichao Cheng , Yi He , Xin Fan , Zhouchen Lin , Zhongxuan Luo

The Cahn-Hilliard equation has been widely employed within various mathematical models in physics, chemistry and engineering. Explicit stabilized time stepping methods can be attractive for time integration of the Cahn-Hilliard equation,…

Numerical Analysis · Mathematics 2025-02-21 Mike A. Botchev

The key tool of this paper is a new Carleman estimate for an arbitrary parabolic operator of the second order for the case of reversed time data. This estimate works on an arbitrary time interval. On the other hand, the previously known…

Analysis of PDEs · Mathematics 2020-01-08 Michael V. Klibanov , Anatoly G. Yagola

Hamiltonian trajectories are strictly time-reversible. Any time series of Hamiltonian coordinates {q} satisfying Hamilton's motion equations will likewise satisfy them when played "backwards", with the corresponding momenta changing signs :…

Statistical Mechanics · Physics 2013-03-12 Wm. G. Hoover , Carol G. Hoover

Many binary systems of interest for gravitational-wave astronomy are orbited by a third distant body, which can considerably alter their relativistic dynamics. Precision computations are needed to understand the interplay between…

General Relativity and Quantum Cosmology · Physics 2023-02-22 Adrien Kuntz , Francesco Serra , Enrico Trincherini

Hybrid Monte Carlo (HMC) generates samples from a prescribed probability distribution in a configuration space by simulating Hamiltonian dynamics, followed by the Metropolis (-Hastings) acceptance/rejection step. Compressible HMC (CHMC)…

Computational Physics · Physics 2016-04-05 Akihiko Nishimura , David Dunson

Many-body localization is shown to suppress imaginary parts of complex eigenenergies for general non-Hermitian Hamiltonians having time-reversal symmetry. We demonstrate that a real-complex transition, which we conjecture occurs upon…

Disordered Systems and Neural Networks · Physics 2019-09-04 Ryusuke Hamazaki , Kohei Kawabata , Masahito Ueda

Modular robotics holds immense potential for space exploration, where reliability, repairability, and reusability are critical for cost-effective missions. Coordination between heterogeneous units is paramount for precision tasks -- whether…

Robotics · Computer Science 2025-12-05 Elian Neppel , Ashutosh Mishra , Shamistan Karimov , Kentaro Uno , Shreya Santra , Kazuya Yoshida

The time reversibility characteristic of Hamiltonian mechanics has long been extended to nonHamiltonian dynamical systems modeling nonequilibrium steady states with feedback-based thermostats and ergostats. Typical solutions are…

Statistical Mechanics · Physics 2015-08-13 William Graham Hoover , Carol Griswold Hoover

Time-reversal symmetry arises naturally as a structural property in many dynamical systems of interest. While the importance of hard-wiring symmetry is increasingly recognized in machine learning, to date this has eluded time-reversibility.…

Machine Learning · Statistics 2022-04-28 Riccardo Valperga , Kevin Webster , Victoria Klein , Dmitry Turaev , Jeroen S. W. Lamb

Implementing the time evolution under a desired target Hamiltonian is critical for various applications in quantum science. Due to the exponential increase in the number of parameters with system size and experimental imperfections, this…

Quantum Physics · Physics 2025-12-11 Pascal Baßler , Markus Heinrich , Martin Kliesch

We develop Random Batch Methods for interacting particle systems with large number of particles. These methods use small but random batches for particle interactions, thus the computational cost is reduced from $O(N^2)$ per time step to…

Numerical Analysis · Mathematics 2019-09-25 Shi Jin , Lei Li , Jian-Guo Liu

We present non-convex maximal dissipation principle (NMDP), a time integration scheme for articulated bodies with simultaneous contacts. Our scheme resolves contact forces via the maximal dissipation principle (MDP). Prior MDP solvers…

Robotics · Computer Science 2020-10-29 Zherong Pan , Kris Hauser

We construct several variational integrators--integrators based on a discrete variational principle--for systems with Lagrangians of the form L = L_A + epsilon L_B, with epsilon << 1, where L_A describes an integrable system. These…

Astrophysics · Physics 2009-01-25 Will M. Farr