Lie-Poisson Neural Networks (LPNets): Data-based computing of Hamiltonian systems with symmetries.

Neural Netw

Department of Mathematical and Statistical Sciences, University of Alberta, Edmonton, T6G 2G1, Alberta, Canada. Electronic address:

Published: May 2024

An accurate data-based prediction of the long-term evolution of Hamiltonian systems requires a network that preserves the appropriate structure under each time step. Every Hamiltonian system contains two essential ingredients: the Poisson bracket and the Hamiltonian. Hamiltonian systems with symmetries, whose paradigm examples are the Lie-Poisson systems, have been shown to describe a broad category of physical phenomena, from satellite motion to underwater vehicles, fluids, geophysical applications, complex fluids, and plasma physics. The Poisson bracket in these systems comes from the symmetries, while the Hamiltonian comes from the underlying physics. We view the symmetry of the system as primary, hence the Lie-Poisson bracket is known exactly, whereas the Hamiltonian is regarded as coming from physics and is considered not known, or known approximately. Using this approach, we develop a network based on transformations that exactly preserve the Poisson bracket and the special functions of the Lie-Poisson systems (Casimirs) to machine precision. We present two flavors of such systems: one, where the parameters of transformations are computed from data using a dense neural network (LPNets), and another, where the composition of transformations is used as building blocks (G-LPNets). We also show how to adapt these methods to a larger class of Poisson brackets. We apply the resulting methods to several examples, such as rigid body (satellite) motion, underwater vehicles, a particle in a magnetic field, and others. The methods developed in this paper are important for the construction of accurate data-based methods for simulating the long-term dynamics of physical systems.

Download full-text PDF

Source
http://dx.doi.org/10.1016/j.neunet.2024.106162DOI Listing

Publication Analysis

Top Keywords

hamiltonian systems
12
systems symmetries
12
poisson bracket
12
systems
8
accurate data-based
8
lie-poisson systems
8
satellite motion
8
motion underwater
8
underwater vehicles
8
hamiltonian
7

Similar Publications

We introduce a computational methodology for evaluating and analyzing spin-vibration couplings in molecular systems, enabling insights into the interplay between electronic spins and molecular vibrations. By mapping ab initio electronic structure calculations onto molecular spin Hamiltonians, our approach captures those vibrational interactions potentially driving spin relaxation process. Spin-vibration couplings, derived from Holstein and Peierls terms, highlight the pivotal role of vibrational mode symmetry in spin decoherence and efficient energy dissipation.

View Article and Find Full Text PDF

Kohn-Sham inversion for open-shell systems.

J Chem Phys

January 2025

Lehrstuhl für Theoretische Chemie, Universität Erlangen-Nürnberg, Egerlandstr. 3, D-91058 Erlangen, Germany.

Methods based on density-functional theory usually treat open-shell atoms and molecules within the spin-unrestricted Kohn-Sham (KS) formalism, which breaks symmetries in real and spin space. Symmetry breaking is possible because the KS Hamiltonian operator does not need to exhibit the full symmetry of the physical Hamiltonian operator, but only the symmetry of the spin density, which is generally lower. Symmetry breaking leads to spin contamination and prevents a proper classification of the KS wave function with respect to the symmetries of the physical electron system.

View Article and Find Full Text PDF

Qualitative analysis in mathematical modeling has become an important research area within the broad domain of nonlinear sciences. In the realm of qualitative analysis, the bifurcation method is one of the significant approaches for studying the structure of orbits in nonlinear dynamical systems. To apply the bifurcation method to the (2 + 1)-dimensional double-chain Deoxyribonucleic Acid system with beta derivative, the bifurcations of phase portraits and chaotic behaviors, combined with sensitivity and multi-stability analysis of this system, are examined.

View Article and Find Full Text PDF

Guaranteed efficient energy estimation of quantum many-body Hamiltonians using ShadowGrouping.

Nat Commun

January 2025

Institute for Quantum Inspired and Quantum Optimization, Hamburg University of Technology, Hamburg, Germany.

Estimation of the energy of quantum many-body systems is a paradigmatic task in various research fields. In particular, efficient energy estimation may be crucial in achieving a quantum advantage for a practically relevant problem. For instance, the measurement effort poses a critical bottleneck for variational quantum algorithms.

View Article and Find Full Text PDF

We derive the compact closed forms of local quantum uncertainty (LQU) and local quantum Fisher information (LQFI) for hybrid qubit-qutrit axially symmetric (AS) states. This allows us to study the quantum correlations in detail and present some essentially novel results for spin-(1/2, 1) systems, the Hamiltonian of which contains ten independent types of physically important parameters. As an application of the derived formulas, we study the behavior of these two quantum correlation measures at thermal equilibrium.

View Article and Find Full Text PDF

Want AI Summaries of new PubMed Abstracts delivered to your In-box?

Enter search terms and have AI summaries delivered each week - change queries or unsubscribe any time!