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Learning to simulate complex physical systems from data has emerged as a promising way to overcome the limitations of traditional numerical solvers, which often require prohibitive computational costs for high-fidelity solutions. Recent…

Machine Learning · Computer Science 2026-02-12 Tai Hoang , Alessandro Trenta , Alessio Gravina , Niklas Freymuth , Philipp Becker , Davide Bacciu , Gerhard Neumann

With deep learning gaining attention from the research community for prediction and control of real physical systems, learning important representations is becoming now more than ever mandatory. It is of extreme importance that deep…

Machine Learning · Computer Science 2022-04-13 Saul Santos , Monica Ekal , Rodrigo Ventura

Explicit symplectic integrators have been important tools for accurate and efficient approximations of mechanical systems with separable Hamiltonians. For the first time, the article proposes for arbitrary Hamiltonians similar integrators,…

Numerical Analysis · Mathematics 2016-10-19 Molei Tao

Discrete and continuous variables oftentimes require different treatments in many learning tasks. Identifying the Hamiltonian governing the evolution of a quantum system is a fundamental task in quantum learning theory. While previous works…

Quantum Physics · Physics 2025-06-03 Tim Möbus , Andreas Bluhm , Tuvia Gefen , Yu Tong , Albert H. Werner , Cambyse Rouzé

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

The rapid growth of research in exploiting machine learning to predict chaotic systems has revived a recent interest in Hamiltonian Neural Networks (HNNs) with physical constraints defined by the Hamilton's equations of motion, which…

Machine Learning · Computer Science 2021-06-02 Chen-Di Han , Bryan Glaz , Mulugeta Haile , Ying-Cheng Lai

Many dynamical systems -- from robots interacting with their surroundings to large-scale multiphysics systems -- involve a number of interacting subsystems. Toward the objective of learning composite models of such systems from data, we…

Machine Learning · Computer Science 2023-05-16 Cyrus Neary , Ufuk Topcu

Predicting optoelectronic properties of large-scale atomistic systems under realistic conditions is crucial for rational materials design, yet computationally prohibitive with first-principles simulations. Recent neural network models have…

Materials Science · Physics 2026-02-10 Martin Schwade , Shaoming Zhang , Frederik Vonhoff , Frederico P. Delgado , David A. Egger

The multi-symplectic form for Hamiltonian PDEs leads to a general framework for geometric numerical schemes that preserve a discrete version of the conservation of symplecticity. The cases for systems or PDEs with dissipation terms has…

Numerical Analysis · Mathematics 2025-10-20 Hongling Su , Mengzhao Qin

We suggest a numerical integration procedure for solving the equations of motion of certain classical spin systems which preserves the underlying symplectic structure of the phase space. Such symplectic integrators have been successfully…

Statistical Mechanics · Physics 2007-05-23 Robin Steinigeweg , Heinz-Jürgen Schmidt

Preservation of linear and quadratic invariants by numerical integrators has been well studied. However, many systems have linear or quadratic observables that are not invariant, but which satisfy evolution equations expressing important…

Numerical Analysis · Mathematics 2025-06-02 Robert I. McLachlan , Ari Stern

A Hamiltonian formulation of generic many-particle systems with space-dependent balanced loss and gain coefficients is presented. It is shown that the balancing of loss and gain necessarily occurs in a pair-wise fashion. Further, using a…

Mathematical Physics · Physics 2019-08-30 Debdeep Sinha , Pijush K. Ghosh

Realistic models of physical world rely on differentiable symmetries that, in turn, correspond to conservation laws. Recent works on Lagrangian and Hamiltonian neural networks show that the underlying symmetries of a system can be easily…

Machine Learning · Computer Science 2021-10-13 Ravinder Bhattoo , Sayan Ranu , N. M. Anoop Krishnan

Identifying the underlying dynamics of physical systems can be challenging when only provided with observational data. In this work, we consider systems that can be modelled as first-order ordinary differential equations. By assuming a…

Systems and Control · Electrical Eng. & Systems 2024-01-03 Sigurd Holmsen , Sølve Eidnes , Signe Riemer-Sørensen

Hamiltonian mechanics is an effective tool to represent many physical processes with concise yet well-generalized mathematical expressions. A well-modeled Hamiltonian makes it easy for researchers to analyze and forecast many related…

Machine Learning · Computer Science 2021-02-24 Seungjun Lee , Haesang Yang , Woojae Seong

In this paper, we investigate the asymptotic error distributions of symplectic methods for stochastic Hamiltonian systems and further provide Hamiltonian-specific analysis that clarifies the superiority of symplectic methods. Our…

Numerical Analysis · Mathematics 2025-12-04 Chuchu Chen , Xinyu Chen , Jialin Hong , Yuqian Miao

Hamiltonian dynamics can be used to produce distant proposals for the Metropolis algorithm, thereby avoiding the slow exploration of the state space that results from the diffusive behaviour of simple random-walk proposals. Though…

Computation · Statistics 2021-06-30 Radford M. Neal

Hamiltonian Monte Carlo is typically based on the assumption of an underlying canonical symplectic structure. Numerical integrators designed for the canonical structure are incompatible with motion generated by non-canonical dynamics. These…

Machine Learning · Statistics 2020-08-20 James A. Brofos , Roy R. Lederman

Singular theories, characterised by the presence of degeneracies in their Lagrangian or Hamiltonian descriptions, require the systematic implementation of constraints in order to obtain well-defined dynamics. While the symplectic framework…

Mathematical Physics · Physics 2026-05-01 Callum Bell , David Sloan

We present a numerical approach for approximating unknown Hamiltonian systems using observation data. A distinct feature of the proposed method is that it is structure-preserving, in the sense that it enforces conservation of the…

Numerical Analysis · Mathematics 2021-07-13 Kailiang Wu , Tong Qin , Dongbin Xiu