Hamiltonian Neural Networks

We introduce LHFM, a geometric framework for learning image dynamics. Drawing on structures central to classical mechanics, symplectic geometry, and geometric quantization, LHFM represents each image as an exact Lagrangian graph and models its evolution through image-dependent Hamiltonian flows, which yield a transport--source parameterization of image velocities. Our primary application is deterministic video prediction: LHFM-V is a recurrent model that advances frames by integrating predicted transport and source fields, and achieves the lowest reported FLOP count among the compared recurrent models with similar prediction accuracy. The image variant, LHFM-I, shows that the same construction is compatible with flow matching: in a matched experiment, it attains a lower FID than the flow-matching baseline.

We propose to learn the unknown dynamics in the proximity of a small body directly from tracking data, representing them as a feed-forward neural network embedded in the system Hamiltonian. The equations of motion form a Neural Hamiltonian Ordinary Differential Equation, whose variational equations provide exact training gradients: estimation uses position and velocity arcs at realistic noise levels, without acceleration or potential labels, and a continual learning approach warm-starts the network as new data are acquired. The known part of the Hamiltonian carries whatever is available, from the central term and spin state to the constant-density model of the imaged shape. We assess the method against a normalized spherical harmonics expansion estimated from identical arcs through the same machinery, on scenarios built on the shapes of Itokawa, 67P, Bennu and Eros. The network remains usable inside the Brillouin sphere: it plans ballistic descents at Itokawa to \SI{4.6}{m} median touchdown error from tracking alone, against 5.1--\SI{48.9}{m} for harmonics of degree 4--12, and to \SI{0.9}{m} with the imaged shape as prior, a configuration that also recovers localised density anomalies invisible to any harmonics degree. The two representations are complementary, and we discuss their combined use across the phases of a small-body mission.

Long-duration gravitational-wave modelling must resolve fast orbital motion together with slow dissipative evolution while preventing small numerical errors from accumulating into secular phase drift. Here we ask whether the finite-time evolution map itself can be learned as an explicit, differentiable, structure-preserving object and then repeatedly composed through a complete inspiral. We construct three neural-flow architectures: a symplectic and slimplectic flow on Galley's doubled phase space, [SINFONIA-J0]; a Taylor-anchored flow, [SINFONIA-J1]; and a Magnusian flow that learns the finite-time dissipative correction in the interaction picture, [SINFONIA-J2]. Applied to a 2.5PN neutron-star inspiral, all three expose the same controlling mechanism: long-time accuracy is governed not by pointwise map error alone, but by its signed projection onto a single secular channel fixed by energy--angular-momentum balance. Encoding this structure allows the learned maps to remain accurate through $10^{2}$--$10^{5}$ window compositions to coalescence at timesteps of a full orbital period and beyond, reaching chained phase errors orders of magnitude below a benchmark slimplectic integrator at lower cost. The same secular structure can also be exploited for physics inference: when the channel is left unconstrained, the accumulated phase retains enough information to recover an un-modelled dynamical-friction-like force, both parametrically and as a learned function of separation. Network-off controls isolate the contribution of learning from the analytic structure already built into each map. These results establish a proof of concept for structure-preserving learned evolution maps as tools for fast long-duration integration and physics inference in gravitational-wave source modelling.

We describe a neural network architecture and training procedure designed to model electronic ground and excited states of arbitrary molecular systems. By indirectly learning a latent, implicit basis representation of the electronic-state Hamiltonian, the model offers a unified treatment of multiple electronic states, conical intersections, and non-adiabatic couplings. The formalism can be further extended to learn consistent latent representations of additional operators such as transition dipole moments, for example. To demonstrate the general capabilities of our architecture, we train and evaluate networks on two realistic photochemical systems, thymine and azobenzene. The resulting models accurately reproduce energies and oscillator strengths for the ground- and low-lying excited states relevant to the photochemistry of these systems. We highlight the performance of the trained networks by studying critical molecular geometries, including conical intersections and excited state minima. By construction, the proposed framework also recovers the emergence of Berry phase accumulation around conical intersections. By pairing key mathematical structure from quantum chemistry with the representation learning power of transformers, the presented architecture offers a qualitatively new path toward fast and accurate ground- and excited-state simulations.

Hamiltonian Neural Networks (HNNs) parameterize conservative dynamics through a learned scalar Hamiltonian, providing an architectural prior that is absent from generic vector-field neural networks. We evaluate this prior under a controlled protocol in which an HNN and a parameter-matched feedforward baseline are trained on the same RK4-generated trajectories, use the same central-difference derivative targets and optimization settings, and are integrated at inference with the same RK4 scheme. Results are reported over five independent training seeds. On the nonlinear pendulum, the HNN reduces mean energy drift by 42-fold and mean trajectory MSE by 15.8-fold at T = 100, approximately 16 pendulum periods. Its energy drift also remains bounded and exhibits substantially lower seed-to-seed variability than the standard-network baseline. An energy-stratified analysis shows that the difference becomes more pronounced as trajectories explore more nonlinear regions of phase space. As an additional diagnostic, we examine an explicit Störmer--Verlet-style rollout of the learned HNN. Because the learned Hamiltonian is not constrained to the separable form H(q,p) = T(p) + V(q), the standard symplecticity guarantee of velocity Verlet does not directly apply. We further apply the same matched-integrator protocol to the three-dimensional Kepler two-body problem. The HNN again exhibits lower trajectory, energy, and angular-momentum drift than the parameter-matched baseline. These experiments provide a controlled study of how Hamiltonian parameterization affects long-horizon prediction and physical consistency across two conservative dynamical systems.

Machine learning of Hamiltonian dynamics has driven growing interest in Hamiltonian neural networks (HNNs), which encode Hamilton's equations of motion into the learning architecture. Despite this progress, it remains unknown whether such networks can predict dynamical regimes absent from their training data, in particular the broad chaotic sea that emerges beyond the observed parameter interval. We address this question using a parameter-aware random-feature Hamiltonian neural network (RF-HNN). Trained using data from only a small number of control-parameter values at which invariant tori dominate, the RF-HNN predicts autonomous long-time dynamics at unseen parameter values where mixed phase space develops and chaotic regions expand, with no data from that regime used in training or model selection. The method is demonstrated across four two-degree-of-freedom Hamiltonian families, including the Hénon-Heiles system. Using Poincaré-section geometry and finite-time Lyapunov exponents, we show that the RF-HNN reproduces the breakup of regular structures and the emergence and growth of chaotic regions, whereas conventionally trained HNNs with the same Hamiltonian structure remain too regular. These results show that what decides parameter extrapolation is not Hamiltonian structure alone but how the fitted Hamiltonian continues in the control parameter. To our knowledge, this is the first demonstration that a learned Hamiltonian can qualitatively extrapolate from predominantly regular dynamics into a broad chaotic sea absent from training.

Structure-preserving neural networks are essential for the long-term prediction of Hamiltonian systems from data. Many important Hamiltonian systems in mechanics and control admit symmetry reduction to Lie--Poisson systems, including rigid bodies, underwater vehicles, fluids, plasmas, and optimal control problems. A fundamental challenge in learning such systems is that their dynamics evolve in momentum variables that are typically unobservable, while available data consist only of observable quantities such as configurations and velocities. In optimal control applications, the situation is further complicated because the latent variables contain unobservable co-states and the Hamiltonian may be degenerate, preventing the existence of a corresponding Lagrangian and rendering the encoder-decoder approaches inapplicable. We introduce Latent Lie--Poisson Neural Networks (LLPNNs), a structure-preserving framework for learning Lie--Poisson dynamics directly from observable data. The proposed approach exploits three geometric ingredients: (i) learning either a Hamiltonian decoder or a pseudo-Lagrangian encoder on the active variables, (ii) constructing latent trajectories through a universal Noether invariant arising from Lie--Poisson symmetry reduction, and (iii) reconstructing observable and latent dynamics through Lie--Poisson flows combined with Magnus-based Lie-group updates. The resulting method preserves the geometric structure and is applicable to both regular and degenerate Hamiltonian systems. We demonstrate the method on three examples: a generalized rigid body on SO(3), Kirchhoff's underwater vehicle on SE(3), and an optimal-control problem for interacting vehicles on $SE(2)^N$. Numerical experiments show excellent long-term predictive accuracy, strong robustness to noise, and competitive performance using only modest datasets and lightweight neural-network architectures.

We introduce Quantum Port-Hamiltonian Neural Networks (Q-pHNNs), a family of parameterised quantum circuits that learn classical dynamics in a structure-preserving manner. The framework relies on the Isomorphic Hamiltonian Mapping (IHM): the skew-symmetric interconnection matrix $\mathbf{J}$ corresponds to unitary gate evolution, and the positive-semidefinite dissipation matrix $\mathbf{R}$ corresponds to Measurement-Induced NonLinearity (MINL) realised via mid-circuit measurement and classical feedforward. This ensures conservation and passivity are enforced by construction rather than penalty terms. We instantiate the IHM in four architectures: (1) a Quantum HNN that learns conservative energy manifolds and extracts Hamilton's equations exactly via the Parameter-Shift Rule; (2) a Q-pHNN using Born-rule measurement for dissipation; (3) a Q-pHNN jointly learning the energy ansatz and damping coefficient; and (4) a topology-entangled Quantum Graph Neural Network for $N$-node coupled-phasor networks. Experiments on the nonlinear pendulum and damped harmonic oscillator demonstrate: (i)$1.35\%$ relative energy drift with a symplectic integrator and scale correction; (ii)$100\%$ energy monotonicity for the MINL circuit; and (iii)~$12.1\%$ error in damping-coefficient identification from vector-field snapshots with no direct supervision on the damping coefficient.

Deep equilibrium models promise input-adaptive implicit computation: harder problems should demand more solver iterations, and the solved equilibrium should encode the result of genuine iterative inference. We report a cautionary study of a port-Hamiltonian DEQ with a learned initialization on two reasoning tasks -- ProofWriter entailment over frozen DeBERTa embeddings and a BFS-verified graph-reachability benchmark -- in which the implicit computation is a silent no-op. Across tasks, seeds, and controlled ablation arms, the solved equilibrium equals the solver's start point to numerical precision, and bypassing the solver entirely changes test accuracy by +0.00 percentage points in 18 of 19 training runs. Controlled interventions falsify the tempting explanation: removing the anchoring term reproduces every result, and retraining with noise-decoupled starts yields a solver that converges to the noisy start while the decoder learns to ignore it. The single escaping run diverges instead ($\|h^{*}-z_0\|=171$), producing a co-adapted noise channel whose removal improves accuracy. Iteration counts are uncorrelated with ground-truth difficulty ($r=0.009$), and the full apparatus never outperforms a two-layer MLP on either task. We trace the mechanism to gradient starvation along two distinct routes, show that the standard zeroing ablation is confounded and gives wildly seed-dependent answers where the correct substitution test gives a stable zero, and distill a four-test diagnostic protocol for auditing claimed implicit computation. All experiments run on a single free Colab GPU; code, raw logs, and analysis scripts are released.

World models are typically trained to predict discrete-time physical dynamics with a fixed step size baked into the model weights, preventing prediction at variable temporal resolutions. This matters for hierarchical planning, sim-to-real transfer, and scientific or game-engine applications that must query the same dynamics at multiple timescales. Hamiltonian Generative Networks (HGN) offer a principled path forward, grounding predictions in a continuous-time energy function that is, in principle, independent of the observation frame rate. In practice, however, their temporal generalization breaks down in non-conservative settings. We show that in externally forced, dissipative environments, HGN rollouts at step sizes beyond the training regime fail due to distinct failure modes, including latent magnitude growth driven by an unconstrained action-force map, and global truncation error accumulation from an under-resolved integrator. We identify a targeted fix for each mechanism and demonstrate stable dynamics prediction at temporal resolutions well outside the training distribution. In a detailed analysis, we recommend several strategies for enabling temporal generalization in continuous-time video generation.

Hamiltonian Neural Networks (HNNs) integrate physical priors into neural models by learning a system's Hamiltonian, improving generalization and sample efficiency. Identifying the system Hamiltonian from noisy observations of state variables is a challenging task. For simulations to faithfully reflect the long-term behavior of Hamiltonian systems, especially energy conservation, it is essential to use symplectic integrators, which preserve the system's geometric structure. This fidelity comes at a cost: implicit symplectic integrators are more computationally intensive and make backpropagation through the ODE solver non-trivial. However, by leveraging the fact that symplectic discretizations of the adjoint system yield the same sensitivities associated by backpropagation, we obtain an efficient method of training the Neural Network parameters. In our work, we explore this alternate method of HNN training under noisy observation of trajectories with our HNN model based on an implicit symplectic integrator. Computationally, a predictor-corrector based ODE solver and fixed point iteration help to mitigate the computational cost of the implicit timestepping, resulting in more efficient generation of gradient updates. We showcase the numerical advantage, in experiments, in system identification and energy preservation on a range of non-separable, chaotic systems and the efficient computation and memory complexity of our method. We also observe that the post-processing of the learned Hamiltonian using backward error analysis yields a modified Hamiltonian that is a more accurate approximation of the true Hamiltonian without the need to use more accurate discretizations of the flow map.

When learning dynamical systems from data, embedding physical structure can constrain the solution space and improve generalization, but many physics-informed models assume access to the full system state. This limits their use in partially observed settings, where some state variables are completely unobserved and must be inferred without direct supervision. Here, we present neural Hamiltonian ordinary differential equations (NHODE), a framework that combines Hamiltonian neural networks (HNNs) with neural ordinary differential equations (neural ODEs) to learn partially observed dynamical systems from data. The Hamiltonian structure enforces energy conservation by construction, while the neural ODE framework enables a flexible training procedure that allows the loss to be defined only on observed variables. We also incorporate additional physical constraints through symmetry-aware coordinate transformations and separable energy formulations. The framework is evaluated on systems of increasing complexity, from linear and nonlinear mass-spring systems to the chaotic three-body problem. Across all examples, increasing the amount of embedded physical structure improves the accuracy and long-horizon stability of the predictions. Even in the most challenging regimes, the NHODE framework captures both observed and latent dynamics, whereas purely data-driven baselines become unstable.

In this work, we extend the Equilibrium Propagation framework to skew-gradient systems and show an equivalence between deep Energy-Based Models and Hamiltonian neural networks. We focus on networks of diffusively coupled Fitzhugh-Nagumo neurons as a prototypical example. We show that since stationary solutions of the Fitzhugh-Nagumo model are described by self-adjoint operators, the methods of equilibrium propagation for performing credit assignment can be applied. Furthermore, for Fitzhugh-Nagumo networks with the topology of a deep residual network, we show that the steady state solutions admit a (spatial) Hamiltonian, and thus the methods of Hamiltonian Echo Backpropagation can be applied. We end by deriving an explicit layer-wise Hamiltonian recurrence relation governing inference for stationary solutions of both deep Fitzhugh-Nagumo networks and deep Energy-Based Models.

Hybrid machine learning combines physical knowledge with data-driven models to enhance interpretability and performance. In this context, Port-Hamiltonian Systems (PHS), which generalize Hamiltonian mechanics to describe open, non-autonomous dynamical systems, have been successfully integrated with neural networks under the name Port-Hamiltonian Neural Networks (PHNNs). While the ability of PHNNs to identify Hamiltonian ordinary differential equation (ODE) systems has already been demonstrated, their application to learning Hamiltonian partial differential equation (PDE) systems remains largely unexplored. This limitation restricts their use in musical acoustics, where instruments are typically modeled as distributed parameter systems governed by PDEs. In this work, we demonstrate how to learn the nonlinear string dynamics from data in a physically-consistent framework through a PHNN extension to PDEs. By constructing structured neural network architectures based on PHS, we can recover both the Hamiltonian governing the string and the dissipation affecting it. This approach outperforms baseline, non-physics-informed methods in terms of both accuracy and interpretability. Numerical experiments using synthetic data demonstrate the ability of the proposed PHNN model to identify and emulate the nonlinear dynamics of the system.

World models enable model-based planning through learned latent dynamics, but imagined rollouts become unstable as the planning horizon grows or the dynamics distribution shifts. We argue that this instability reflects two missing structures in planner-facing latents: history-conditioned memory for approximate Markov completeness, and geometric organization that separates configuration, momentum, and task semantics. We propose HaM-World (HMW), a structured world model that decomposes the latent state into a canonical (q, p) subspace and a context subspace c, while using Mamba selective state-space memory as the history-conditioned input to the same latent dynamics. Within this interface, (q, p) evolves through an energy-derived Hamiltonian vector field plus learnable residual/control dynamics, while c captures semantic, dissipative, and non-conservative factors. This gives the planner a single latent state shared by dynamics prediction, reward/value estimation, imagined rollouts, and CEM action search. On four DeepMind Control Suite tasks, HaM-World reaches the highest Avg. AUC (117.9, +9.5%), reduces long-horizon rollout error to 45% of a strong baseline model, and wins 11/12 k in {3,5,7} MSE cells. Under 12 OOD perturbations spanning dynamics shifts, action delay, and observation masking, HaM-World achieves the highest return in every condition, with average OOD-return gains of 10.2% on Finger Spin and 13.6% on Reacher Easy. Mechanism diagnostics further show bounded action-free Hamiltonian-energy drift, structured energy variation under policy rollouts, and coherent control-induced energy transfer, supporting the intended Soft-Hamiltonian dynamics design.

Machine learning has become a powerful tool for discovering governing laws of dynamical systems from data. However, most existing approaches degrade severely when observations are sparse, noisy, or irregularly sampled. In this work, we address the problem of learning symbolic representations of nonlinear Hamiltonian dynamical systems under extreme data scarcity by explicitly incorporating physical structure into the learning architecture. We introduce Adaptable Symplectic Recurrent Neural Networks (ASRNNs), a parameter-cognizant, structure-preserving model that combines Hamiltonian learning with symplectic recurrent integration, avoiding time derivative estimation, and enabling stable learning under noise. We demonstrate that ASRNNs can accurately predict long-term dynamics even when each training trajectory consists of only two irregularly spaced time points, possibly corrupted by correlated noise. Leveraging ASRNNs as structure-preserving data generators, we further enable symbolic discovery using independent regression methods (SINDy and PySR), recovering exact symbolic equations for polynomial systems and consistent polynomial approximations for non-polynomial Hamiltonians. Our results show that such architectures can provide a robust pathway to interpretable discovery of Hamiltonian dynamics from sparse and noisy data.

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, respectively with a potential-based architecture and with degenerate variational integrators, but new issues arise when combining both. In experiments, the learnt model is sometimes numerically unstable due to the gauge dependency of the scheme, rendering long-time simulations impossible. In this paper, we identify this problem and propose two different training strategies to address it, either by directly learning the vector field or by learning a time-discrete dynamics through the scheme. Several numerical test cases assess the ability of the methods to learn complex physical dynamics, like the guiding center from gyrokinetic plasma physics.