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We present several methods for predicting the dynamics of Hamiltonian systems from discrete observations of their vector field. Each method is either informed or uninformed of the Hamiltonian property. We empirically and comparatively…

Machine Learning · Computer Science 2023-12-18 Zi-Yu Khoo , Delong Zhang , Stéphane Bressan

In this paper, we introduce Symplectic ODE-Net (SymODEN), a deep learning framework which can infer the dynamics of a physical system, given by an ordinary differential equation (ODE), from observed state trajectories. To achieve better…

Machine Learning · Computer Science 2024-03-04 Yaofeng Desmond Zhong , Biswadip Dey , Amit Chakraborty

We present a Hamiltonian approach for the wellknown Eigen model of the Darwin selection dynamics. Hamiltonization is carried out by means of the embedding of the population variable space, describing behavior of the system, into the space…

Biological Physics · Physics 2009-10-30 A. V. Shapovalov , E. V. Evdokimov

Evolutionary partial differential equations play a crucial role in many areas of science and engineering. Spatial discretization of these equations leads to a system of ordinary differential equations which can then be solved by numerical…

Numerical Analysis · Mathematics 2024-11-22 F. K. J. Niggl

A simple and interpretable way to learn a dynamical system from data is to interpolate its vector-field with a kernel. In particular, this strategy is highly efficient (both in terms of accuracy and complexity) when the kernel is…

Machine Learning · Statistics 2024-10-07 Jonghyeon Lee , Edward De Brouwer , Boumediene Hamzi , Houman Owhadi

The past few years have witnessed an increased interest in learning Hamiltonian dynamics in deep learning frameworks. As an inductive bias based on physical laws, Hamiltonian dynamics endow neural networks with accurate long-term…

Machine Learning · Computer Science 2022-03-02 Zhijie Chen , Mingquan Feng , Junchi Yan , Hongyuan Zha

Stability and safety are critical properties for successful deployment of automatic control systems. As a motivating example, consider autonomous mobile robot navigation in a complex environment. A control design that generalizes to…

Robotics · Computer Science 2022-07-25 Zhichao Li , Thai Duong , Nikolay Atanasov

This work focuses on learning non-canonical Hamiltonian dynamics from data, where long-term predictions require the preservation of structure both in the learned model and in numerical schemes. Previous research focused on either facet,…

Machine Learning · Computer Science 2025-10-03 Clémentine Courtès , Emmanuel Franck , Michael Kraus , Laurent Navoret , Léopold Trémant

The Hamiltonian Monte Carlo method generates samples by introducing a mechanical system that explores the target density. For distributions on manifolds it is not always simple to perform the mechanics as a result of the lack of global…

Computation · Statistics 2019-04-22 Alessandro Barp , Anthony Kennedy , Mark Girolami

Concise, accurate descriptions of physical systems through their conserved quantities abound in the natural sciences. In data science, however, current research often focuses on regression problems, without routinely incorporating…

Computational Physics · Physics 2020-02-05 Tom Bertalan , Felix Dietrich , Igor Mezić , Ioannis G. Kevrekidis

Hamiltonian systems are known to conserve the Hamiltonian function, which describes the energy evolution over time. Obtaining a numerical spatio-temporal scheme that accurately preserves the discretized Hamiltonian function is often a…

Numerical Analysis · Mathematics 2023-10-10 Anand Srinivasan , Jose E. Castillo

Data-driven modeling of physical systems often relies on learning both positions and momenta to accurately capture Hamiltonian dynamics. However, in many practical scenarios, only position measurements are readily available. In this work,…

Computational Physics · Physics 2025-05-06 Ruichen Xu , Zongyu Wu , Luoyao Chen , Georgios Kementzidis , Siyao Wang , Haochun Wang , Yiwei Shi , Yuefan Deng

Determining the Hamiltonian of a quantum system is essential for understanding its dynamics and validating its behavior. Hamiltonian learning provides a data-driven approach to reconstruct the generator of the dynamics from measurements on…

Regressing the vector field of a dynamical system from a finite number of observed states is a natural way to learn surrogate models for such systems. A simple and interpretable way to learn a dynamical system from data is to interpolate…

Machine Learning · Statistics 2023-02-28 Lu Yang , Xiuwen Sun , Boumediene Hamzi , Houman Owhadi , Naiming Xie

We propose an effective and lightweight learning algorithm, Symplectic Taylor Neural Networks (Taylor-nets), to conduct continuous, long-term predictions of a complex Hamiltonian dynamic system based on sparse, short-term observations. At…

Machine Learning · Computer Science 2022-02-22 Yunjin Tong , Shiying Xiong , Xingzhe He , Guanghan Pan , Bo Zhu

We present an approach to construct appropriate and efficient emulators for Hamiltonian flow maps. Intended future applications are long-term tracing of fast charged particles in accelerators and magnetic plasma confinement configurations.…

Computational Physics · Physics 2021-06-02 Katharina Rath , Christopher G. Albert , Bernd Bischl , Udo von Toussaint

Regressing the vector field of a dynamical system from a finite number of observed states is a natural way to learn surrogate models for such systems. We present variants of cross-validation (Kernel Flows \cite{Owhadi19} and its variants…

Machine Learning · Computer Science 2021-04-07 Boumediene Hamzi , Houman Owhadi

We develop a statistical method to learn a molecular Hamiltonian matrix from a time-series of electron density matrices. We extend our previous method to larger molecular systems by incorporating physical properties to reduce…

Chemical Physics · Physics 2021-08-03 Prachi Gupta , Harish S. Bhat , Karnamohit Ranka , Christine M. Isborn

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

In this paper, we introduces a Pseudo-Symplectic Neural Network (PSNN) for learning general Hamiltonian systems (both separable and non-separable) from data. To address the limitations of existing structure-preserving methods (e.g.,…

Numerical Analysis · Mathematics 2025-03-07 Xupeng Cheng , Lijin Wang , Yanzhao Cao , Chen Chen