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Time-adaptive SympNets for separable Hamiltonian systems

arXiv.org Artificial Intelligence

Measurement data is often sampled irregularly i.e. not on equidistant time grids. This is also true for Hamiltonian systems. However, existing machine learning methods, which learn symplectic integrators, such as SympNets [20] and HénonNets [4] still require training data generated by fixed step sizes. To learn time-adaptive symplectic integrators, an extension to SympNets, which we call TSympNets, was introduced in [20]. We adapt the architecture of TSympNets and extend them to non-autonomous Hamiltonian systems. So far the approximation qualities of TSympNets were unknown. We close this gap by providing a universal approximation theorem for separable Hamiltonian systems and show that it is not possible to extend it to non-separable Hamiltonian systems. To investigate these theoretical approximation capabilities, we perform different numerical experiments. Furthermore we fix a mistake in a proof of a substantial theorem [25, Theorem 2] for the approximation of symplectic maps in general, but specifically for symplectic machine learning methods.


Symplectic convolutional neural networks

arXiv.org Artificial Intelligence

We propose a new symplectic convolutional neural network (CNN) architecture by leveraging symplectic neural networks, proper symplectic decomposition, and tensor techniques. Specifically, we first introduce a mathematically equivalent form of the convolution layer and then, using symplectic neural networks, we demonstrate a way to parameterize the layers of the CNN to ensure that the convolution layer remains symplectic. To construct a complete autoencoder, we introduce a symplectic pooling layer. We demonstrate the performance of the proposed neural network on three examples: the wave equation, the nonlinear Schrödinger (NLS) equation, and the sine-Gordon equation. The numerical results indicate that the symplectic CNN outperforms the linear symplectic autoencoder obtained via proper symplectic decomposition.


Learning Physical Systems: Symplectification via Gauge Fixing in Dirac Structures

arXiv.org Artificial Intelligence

Physics-informed deep learning has achieved remarkable progress by embedding geometric priors, such as Hamiltonian symmetries and variational principles, into neural networks, enabling structure-preserving models that extrapolate with high accuracy. However, in systems with dissipation and holonomic constraints, ubiquitous in legged locomotion and multibody robotics, the canonical symplectic form becomes degenerate, undermining the very invariants that guarantee stability and long-term prediction. In this work, we tackle this foundational limitation by introducing Presymplectification Networks (PSNs), the first framework to learn the symplectification lift via Dirac structures, restoring a non-degenerate symplectic geometry by embedding constrained systems into a higher-dimensional manifold. Our architecture combines a recurrent encoder with a flow-matching objective to learn the augmented phase-space dynamics end-to-end. We then attach a lightweight Symplectic Network (SympNet) to forecast constrained trajectories while preserving energy, momentum, and constraint satisfaction. We demonstrate our method on the dynamics of the ANYmal quadruped robot, a challenging contact-rich, multibody system. To the best of our knowledge, this is the first framework that effectively bridges the gap between constrained, dissipative mechanical systems and symplectic learning, unlocking a whole new class of geometric machine learning models, grounded in first principles yet adaptable from data.


SympGNNs: Symplectic Graph Neural Networks for identifiying high-dimensional Hamiltonian systems and node classification

arXiv.org Artificial Intelligence

Existing neural network models to learn Hamiltonian systems, such as SympNets, although accurate in low-dimensions, struggle to learn the correct dynamics for high-dimensional many-body systems. Herein, we introduce Symplectic Graph Neural Networks (SympGNNs) that can effectively handle system identification in high-dimensional Hamiltonian systems, as well as node classification. SympGNNs combines symplectic maps with permutation equivariance, a property of graph neural networks. Specifically, we propose two variants of SympGNNs: i) G-SympGNN and ii) LA-SympGNN, arising from different parameterizations of the kinetic and potential energy. We demonstrate the capabilities of SympGNN on two physical examples: a 40-particle coupled Harmonic oscillator, and a 2000-particle molecular dynamics simulation in a two-dimensional Lennard-Jones potential. Furthermore, we demonstrate the performance of SympGNN in the node classification task, achieving accuracy comparable to the state-of-the-art. We also empirically show that SympGNN can overcome the oversmoothing and heterophily problems, two key challenges in the field of graph neural networks.


Symplectic Neural Networks Based on Dynamical Systems

arXiv.org Artificial Intelligence

We present and analyze a framework for designing symplectic neural networks (SympNets) based on geometric integrators for Hamiltonian differential equations. The SympNets are universal approximators in the space of Hamiltonian diffeomorphisms, interpretable and have a non-vanishing gradient property. We also give a representation theory for linear systems, meaning the proposed P-SympNets can exactly parameterize any symplectic map corresponding to quadratic Hamiltonians. Extensive numerical tests demonstrate increased expressiveness and accuracy -- often several orders of magnitude better -- for lower training cost over existing architectures. Lastly, we show how to perform symbolic Hamiltonian regression with SympNets for polynomial systems using backward error analysis.


Structure-Preserving Transformers for Learning Parametrized Hamiltonian Systems

arXiv.org Artificial Intelligence

This work addresses a problem in scientific machine learning [2] whose motivation comes from two trends and one observation: The first trend is using neural networks to identify dynamics of models for which data are available, but the underlying differential equation is either (i) not known or (ii) too expensive to solve. The first problem (i) often occurs when dealing with experimental data (see [8, 14]); the second one (ii) is crucial in reduced-order modeling (this will be elaborated on below). The second trend is a gradual replacement of hitherto established neural network architectures by transformer neural networks; the neural networks that are replaced are primarily recurrent neural networks such as long short-term memory networks (LSTMs, see [19]) that treat time series data, but also convolutional neural networks (CNNs) for image recognition (see [10]). The observation mentioned at the beginning of this section is the importance of including information about the physical system into a machine learning model. In this paper the physical property we consider is symplecticity (see [1, 3, 16, 27]).


Symplectic networks: Intrinsic structure-preserving networks for identifying Hamiltonian systems

arXiv.org Machine Learning

This work presents a framework of constructing the neural networks preserving the symplectic structure, so-called symplectic networks (SympNets). With the symplectic networks, we show some numerical results about (\romannumeral1) solving the Hamiltonian systems by learning abundant data points over the phase space, and (\romannumeral2) predicting the phase flows by learning a series of points depending on time. All the experiments point out that the symplectic networks perform much more better than the fully-connected networks that without any prior information, especially in the task of predicting which is unable to do within the conventional numerical methods.