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This chapter discusses the way in which dimensionality reduction algorithms such as diffusion maps and sketch-map can be used to analyze molecular dynamics trajectories. The first part discusses how these various algorithms function, as…

Computational Physics · Physics 2019-07-10 Gareth A. Tribello , Piero Gasparotto

In the last decade, decision diagrams (DDs) have been the basis for a large array of novel approaches for modeling and solving optimization problems. Many techniques now use DDs as a key tool to achieve state-of-the-art performance within…

Optimization and Control · Mathematics 2022-01-28 Margarita P. Castro , Andre A. Cire , J. Christopher Beck

In order to obtain a well-defined path integral one often employs discretizations. In the case of General Relativity these generically break diffeomorphism symmetry, which has severe consequences since these symmetries determine the…

General Relativity and Quantum Cosmology · Physics 2012-05-24 Sebastian Steinhaus

Symplectic integration algorithms have become popular in recent years in long-term orbital integrations because these algorithms enforce certain conservation laws that are intrinsic to Hamiltonian systems. For problems with large variations…

Astrophysics · Physics 2007-05-23 Man Hoi Lee , Martin J. Duncan , Harold F. Levison

This article reviews some integrators particularly suitable for the numerical resolution of differential equations on a large time interval. Symplectic integrators are presented. Their stability on exponentially large time is shown through…

Numerical Analysis · Mathematics 2018-11-26 Dina Razafindralandy , Vladimir Salnikov , Aziz Hamdouni , Ahmad Deeb

We present a new class of exponential integrators for ordinary differential equations. They are locally exact, i.e., they preserve the linearization of the original system at every point. Their construction consists in modifying existing…

Numerical Analysis · Mathematics 2011-04-08 Jan L. Cieśliński

We expose (without proofs) a unified computational approach to integrable structures (including recursion, Hamiltonian, and symplectic operators) based on geometrical theory of partial differential equations. We adopt a coordinate based…

Exactly Solvable and Integrable Systems · Physics 2012-07-17 Iosif Krasil'shchik , Alexander Verbovetsky , Raffaele Vitolo

The integrability of two symplectic maps, that can be considered as discrete-time analogs of the Garnier and Neumann systems is established in the framework of the $r$-matrix approach, starting from their Lax representation. In contrast…

High Energy Physics - Theory · Physics 2009-10-28 O. Ragnisco

This paper addresses the issue of structure-preserving discretization of open distributed-parameter systems with Hamiltonian dynamics. Employing the formalism of discrete exterior calculus, we introduce a simplicial Dirac structure as a…

Mathematical Physics · Physics 2012-02-28 Marko Seslija , Arjan van der Schaft , Jacquelien M. A. Scherpen

Many surface reconstruction methods incorporate normal integration, which is a process to obtain a depth map from surface gradients. In this process, the input may represent a surface with discontinuities, e.g., due to self-occlusion. To…

Computer Vision and Pattern Recognition · Computer Science 2024-04-05 Hyomin Kim , Yucheol Jung , Seungyong Lee

The presence of symmetries in a Hamiltonian system usually implies the existence of conservation laws that are represented mathematically in terms of the dynamical preservation of the level sets of a momentum mapping. The symplectic or…

Symplectic Geometry · Mathematics 2007-05-23 Juan-Pablo Ortega , Tudor S. Ratiu

Accelerated gradient methods have had significant impact in machine learning -- in particular the theoretical side of machine learning -- due to their ability to achieve oracle lower bounds. But their heuristic construction has hindered…

Computation · Statistics 2018-02-16 Michael Betancourt , Michael I. Jordan , Ashia C. Wilson

To perform visual data exploration, many dimensionality reduction methods have been developed. These tools allow data analysts to represent multidimensional data in a 2D or 3D space, while preserving as much relevant information as…

Computer Vision and Pattern Recognition · Computer Science 2020-02-20 Benoît Colange , Laurent Vuillon , Sylvain Lespinats , Denys Dutykh

We introduce a novel numerical method to integrate partial differential equations representing the Hamiltonian dynamics of field theories. It is a multi-symplectic integrator that locally conserves the stress-energy tensor with an excellent…

Numerical Analysis · Mathematics 2017-02-23 Hugo Ricateau , Leticia F. Cugliandolo

In this paper we apply Donaldson's general moment map framework for the action of a symplectomorphism group on the corresponding space of compatible (almost) complex structures to the case of rational ruled surfaces. This gives a new…

Symplectic Geometry · Mathematics 2007-05-23 Miguel Abreu , Gustavo Granja , Nitu Kitchloo

Homogeneous fragmentations describe the evolution of a unit mass that breaks down randomly into pieces as time passes. They can be thought of as continuous time analogs of a certain type of branching random walks, which suggests the use of…

Probability · Mathematics 2007-05-23 Jean Bertoin , Alain Rouault

Finite difference based micromagnetic simulations are a powerful tool for the computational investigation of magnetic structures. In this paper, we demonstrate how the discretization of continuous micromagnetic equations introduces a…

Materials Science · Physics 2024-12-17 Samuel J. R. Holt , Andrea Petrocchi , Martin Lang , Swapneel A. Pathak , Hans Fangohr

The Bopp's shifts will be generalized through symplectic formalism. A special procedure, like a "diagonalization", which drives the completely deformed symplectic matrix to the standard symplectic form was found as suggested by…

High Energy Physics - Theory · Physics 2018-01-31 M. A. De Andrade , C. Neves

The first part of the present paper is devoted to a systematic construction of continuous-time finite-dimensional integrable systems arising from the rational su(2) Gaudin model through certain contraction procedures. In the second part, we…

Exactly Solvable and Integrable Systems · Physics 2009-11-13 Matteo Petrera , Yuri B. Suris

We have researched the condition for symplectic discretization to preserve local boundedness for the space of 2-dimensional Hamiltonian dynamical systems in this paper.

Dynamical Systems · Mathematics 2013-06-25 Wu-Hwan Jong , Yon-Hui Jo
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