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Simulation of many-particle system evolution by molecular dynamics takes to decrease integration step to provide numerical scheme stability on the sufficiently large time interval. It leads to a significant increase of the volume of…

Numerical Analysis · Mathematics 2016-05-19 Eduard G. Nikonov

The superiority of symplectic methods for stochastic Hamiltonian systems has been widely recognized, yet the probabilistic mechanism behind this superiority remains incompletely understood. This paper studies the superiority of symplectic…

Numerical Analysis · Mathematics 2025-05-29 Jialin Hong , Ge Liang , Derui Sheng

Differentially Private Stochastic Gradient Descent (DP-SGD) has been widely used for solving optimization problems with privacy guarantees in machine learning and statistics. Despite this, a systematic non-asymptotic convergence analysis…

Methodology · Statistics 2025-07-10 Enze Shi , Jinhan Xie , Bei Jiang , Linglong Kong , Xuming He

This paper presents an energy-preserving machine learning method for inferring reduced-order models (ROMs) by exploiting the multi-symplectic form of partial differential equations (PDEs). The vast majority of energy-preserving…

Machine Learning · Computer Science 2024-09-17 Süleyman Yıldız , Pawan Goyal , Peter Benner

Numerical methods that preserves geometric invariants of the system such as energy, momentum and symplectic form, are called geometric integrators. These include variational integrators as an important subclass of geometric integrators. The…

Optimization and Control · Mathematics 2025-02-11 L. Colombo , J. Giribet , D. Martín de Diego

Continuous Galerkin Petrov time discretization scheme is tested on some Hamiltonian systems including simple harmonic oscillator, Kepler's problem with different eccentricities and molecular dynamics problem. In particular, we implement the…

Numerical Analysis · Mathematics 2015-08-19 M. A. Qureshi , S. Hussain , Ghulam Shabbir

We present a gradient-based calibration algorithm to identify a port-Hamiltonian system from given time-domain input-output data. The gradient is computed with the help of sensitivities and the algorithm is tailored such that the structure…

Numerical Analysis · Mathematics 2023-01-06 Michael Günther , Birgit Jacob , Claudia Totzeck

Recent studies have shown that many nonconvex machine learning problems satisfy a generalized-smooth condition that extends beyond traditional smooth nonconvex optimization. However, the existing algorithms are not fully adapted to such…

Optimization and Control · Mathematics 2025-10-03 Yufeng Yang , Erin Tripp , Yifan Sun , Shaofeng Zou , Yi Zhou

Machine learning methods are widely used in the natural sciences to model and predict physical systems from observation data. Yet, they are often used as poorly understood "black boxes," disregarding existing mathematical structure and…

Machine Learning · Computer Science 2023-10-24 Marco David , Florian Méhats

We propose the difference discrete variational principle in discrete mechanics and symplectic algorithm with variable step-length of time in finite duration based upon a noncommutative differential calculus established in this paper. This…

Mathematical Physics · Physics 2018-01-17 Xu-Dong Luo , Han-Ying Guo , Yu-Qi Li , Ke Wu

We analyze continuous-time models of accelerated gradient methods through deriving conservation laws in dilated coordinate systems. Namely, instead of analyzing the dynamics of $X(t)$, we analyze the dynamics of $W(t)=t^\alpha(X(t)-X_c)$…

Optimization and Control · Mathematics 2022-06-27 Jaewook J. Suh , Gyumin Roh , Ernest K. Ryu

This paper introduces a novel distributed optimization technique for networked systems, which removes the dependency on specific parameter choices, notably the learning rate. Traditional parameter selection strategies in distributed…

Optimization and Control · Mathematics 2024-04-23 Rodrigo Aldana-López , Alessandro Macchelli , Giuseppe Notarstefano , Rosario Aragüés , Carlos Sagüés

This work develops a symplectic framework for quantum computing to be applied to classical Hamiltonian systems, exploiting the intrinsic geometric compatibility between unitary quantum evolution and symplectic phase-space dynamics in a…

The ability to differentiate through optimization problems has unlocked numerous applications, from optimization-based layers in machine learning models to complex design problems formulated as bilevel programs. It has been shown that…

Optimization and Control · Mathematics 2024-03-05 Lucas Fuentes Valenzuela , Robin Brown , Marco Pavone

We present a structure-preserving discretization of the hybrid magnetohydrodynamics (MHD)-driftkinetic system for simulations of low-frequency wave-particle interactions. The model equations are derived from a variational principle,…

Computational Physics · Physics 2025-10-09 Byung Kyu Na , Stefan Possanner , Xin Wang

The paper gives a symplectic-geometric account of semiclassical Gaussian wave packet dynamics. We employ geometric techniques to "strip away" the symplectic structure behind the time-dependent Schr\"odinger equation and incorporate it into…

Mathematical Physics · Physics 2013-09-20 Tomoki Ohsawa , Melvin Leok

With decentralized optimization having increased applications in various domains ranging from machine learning, control, sensor networks, to robotics, its privacy is also receiving increased attention. Existing privacy-preserving approaches…

Optimization and Control · Mathematics 2022-07-13 Huan Gao , Yongqiang Wang , Angelia Nedić

Hamiltonian Monte Carlo is a prominent Markov Chain Monte Carlo algorithm, which employs symplectic integrators to sample from high dimensional target distributions in many applications, such as statistical mechanics, Bayesian statistics…

Numerical Analysis · Mathematics 2025-02-13 Geoffrey McGregor , Andy T. S. Wan

We present a novel structure-preserving framework for solving the Vlasov-Poisson-Landau system of equations using a particle in cell (PIC) discretization combined with discrete gradient time integrators. The Vlasov-Poisson-Landau system is…

Plasma Physics · Physics 2026-02-16 Daniel S. Finn , Joseph V. Pusztay , Matthew G. Knepley , Mark F. Adams

We develop a unified geometric framework for mechanical systems that combine conservative and dissipative dynamics by formulating them on contact manifolds. Within this setting, we identify the Reeb vector field as the intrinsic generator…

Mathematical Physics · Physics 2025-12-16 Vinesh Vijayan , Pasupuleti Thejasree , P Satish Kumar , K Suganya
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