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Melvin Leok

Publications and source records attributed to Melvin Leok.

At least 19 recordsLinked to original sources
arXiv2026

Symplectic Neural Networks for Learning Non-Separable Hamiltonians

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.

cs.LG↗
arXiv2026

Rough variational principles and applications to adjoint systems

We consider a Type-II variational principle driven by geometric rough path with split boundary conditions naturally suited to adjoint systems. From this rough variational principle we derive rough Hamilton's equations, establish their pathwise conservation laws and associated Hamilton--Jacobi equation. We then specialise the framework to rough adjoint systems, obtaining pathwise conservation and quasi-conservation laws that underpin adjoint sensitivity analysis with respect to initial conditions and parameters. On the discrete side, we construct a rough Galerkin discretisation of the rough Type-II variational principle and show that it generates a symplectic flow with discrete analogues of the continuous conservation laws. We establish it's equivalence to a class of Rough Symplectic Partitioned Runge--Kutta (RSPRK) methods and analyse its convergence and naturality properties. Lastly, we perform numerical experiments to validate the predicted convergence rates and demonstrate that RSPRK methods preserve the adjoint conservation laws to machine precision, yielding more accurate and stable gradients in optimisation problems than non-symplectic alternatives.

math.NA↗
arXiv2026

Neural Configuration-Space Barriers for Manipulation Planning and Control

Planning and control for high-dimensional robot manipulators in cluttered dynamic environments require computational efficiency and robust safety guarantees. Inspired by recent advances in learning configuration-space distance functions (CDFs) as representations of robot bodies, we propose a unified approach for motion planning and control that formulates safety constraints as CDF barriers. A CDF barrier approximates the local free configuration space, substantially reducing the number of collision-checking operations during motion planning. However, learning a CDF barrier with a neural network and relying on online sensor observations introduces uncertainties that must be considered during control synthesis. To address this, we develop a distributionally robust CDF barrier formulation for control that accounts for modeling errors and sensor noise without assuming a known underlying distribution. Simulations and hardware experiments on a UFactory xArm6 manipulator show that our neural CDF barrier formulation enables efficient planning and robust safe control in cluttered and dynamic environments, relying only on onboard point-cloud observations.

cs.RO↗
arXiv2026

GeoEdit: Local Frames for Fast, Training-Free On-Manifold Editing in Diffusion Models

Diffusion models are a leading paradigm for data generation, but training-free editing typically re-runs the full denoising trajectory for every edit strength, making iterative refinement expensive. To address this issue, we instead edit near the data manifold, where small local updates can replace repeated re-synthesis. To enable this, we estimate a local manifold tangent space directly from perturbed samples and prove that this sample-based estimator closely approximates the true tangent. Building on this guarantee, we devise a Jacobian-free algorithm that constructs a tangent frame via small perturbations to the initial noise and alternates small tangent moves with diffusion-based projections. Updates within this frame follow principled on-manifold directions while suppressing off-manifold drift, enabling fine-grained edits without full re-diffusion or additional training. Edit strength is controlled by the number of steps for rapid, continuous adjustments that preserve fidelity and plug into existing samplers. Empirically, the resulting tangent directions yield smooth, semantic unsupervised traversals and effective CLIP-guided optimization, demonstrating practical interactive continuous editing.

cs.LG↗
arXiv2026

Noether-Type Theorems and the Generalized Herglotz Principle in $q$-Contact Geometry

We develop a unified geometric framework for dissipative mechanical systems based on uniform $q$-contact manifolds, which provide an extended phase space equipped with multiple contact $1$-forms. Within this setting, we construct both Hamiltonian and Lagrangian formalisms and establish a generalized Noether-type theorem describing the relationship between symmetries and dissipated quantities. We further show that $q$-contact Lagrangian systems admit a genuine variational origin through a generalized Herglotz principle involving multiple action variables. The resulting $q$-contact Euler--Lagrange equations naturally depend on the scalar combination $\sum_{i=1}^q \partial L/\partial z_i$, reflecting the intrinsic structure of uniform $q$-contact geometry. We prove that this variational formulation is fully equivalent to the geometric $q$-contact Hamiltonian dynamics generated by the energy function. Several explicit examples involving multi-parameter dependent dynamics illustrate the effectiveness of the theory and demonstrate its potential to provide geometric insight into complex dissipative systems, thereby extending the scope of classical Lagrangian mechanics beyond symplectic and single-contact structures.

math-ph↗
arXiv2025

Learning Generalized Hamiltonians using fully Symplectic Mappings

Many important physical systems can be described as the evolution of a Hamiltonian system, which has the important property of being conservative, that is, energy is conserved throughout the evolution. Physics Informed Neural Networks and in particular Hamiltonian Neural Networks have emerged as a mechanism to incorporate structural inductive bias into the NN model. By ensuring physical invariances are conserved, the models exhibit significantly better sample complexity and out-of-distribution accuracy than standard NNs. Learning the Hamiltonian as a function of its canonical variables, typically position and velocity, from sample observations of the system thus becomes a critical task in system identification and long-term prediction of system behavior. However, to truly preserve the long-run physical conservation properties of Hamiltonian systems, one must use symplectic integrators for a forward pass of the system's simulation. While symplectic schemes have been used in the literature, they are thus far limited to situations when they reduce to explicit algorithms, which include the case of separable Hamiltonians or augmented non-separable Hamiltonians. We extend it to generalized non-separable Hamiltonians, and noting the self-adjoint property of symplectic integrators, we bypass computationally intensive backpropagation through an ODE solver. We show that the method is robust to noise and provides a good approximation of the system Hamiltonian when the state variables are sampled from a noisy observation. In the numerical results, we show the performance of the method concerning Hamiltonian reconstruction and conservation, indicating its particular advantage for non-separable systems.

cs.LG↗
arXiv2025

q-Cosymplectic Geometry, Integrability and Reduction

In the present paper, we define the concept of a \( q \)-cosymplectic manifold, on which we study the Hamiltonian, gradient, local gradient, and \( q \)-evolution vector fields. Several Liouville--Arnold-type theorems and a \( q \)-cosymplectic Marsden--Weinstein reduction theorem are established. We also provide physical examples illustrating the application of the structure to multitime dynamics (Fast-slow dynamical system). To make our work more self-contained, we include detailed proofs for some results that may resemble those known for cosymplectic manifolds.

math-ph↗
arXiv2025

A Type II Hamiltonian Variational Principle and Adjoint Systems for Lie Groups

We present a novel Type II variational principle on the cotangent bundle of a Lie group which enforces Type II boundary conditions, i.e., fixed initial position and final momentum. In general, such Type II variational principles are only globally defined on vector spaces or locally defined on general manifolds; however, by left translation, we are able to define this variational principle globally on cotangent bundles of Lie groups. Type II boundary conditions are particularly important for adjoint sensitivity analysis, which is our motivating application. As such, we additionally discuss adjoint systems on Lie groups, their properties, and how they can be used to solve optimization problems subject to dynamics on Lie groups.

math.NA↗
arXiv2025

Variational Principles for Hamiltonian Systems

Motivated by recent developments in Hamiltonian variational principles, Hamiltonian variational integrators, and their applications such as to optimization and control, we present a new Type II variational approach for Hamiltonian systems, based on a virtual work principle that enforces the Type II boundary conditions through a combination of essential and natural boundary conditions; particularly, this approach allows us to define this variational principle intrinsically on manifolds. We first develop this variational principle on vector spaces and subsequently extend it to parallelizable manifolds, general manifolds, as well as to the infinite-dimensional setting. Furthermore, we provide a review of variational principles for Hamiltonian systems in various settings as well as their applications.

math.SG↗
arXiv2024

Stabilization of Nonlinear Systems through Control Barrier Functions

This paper proposes a control design approach for stabilizing nonlinear control systems. Our key observation is that the set of points where the decrease condition of a control Lyapunov function (CLF) is feasible can be regarded as a safe set. By leveraging a nonsmooth version of control barrier functions (CBFs) and a weaker notion of CLF, we develop a control design that forces the system to converge to and remain in the region where the CLF decrease condition is feasible. We characterize the conditions under which our controller asymptotically stabilizes the origin or a small neighborhood around it, even in the cases where it is discontinuous. We illustrate our design in various examples.

math.OC↗
arXiv2024

On Properties of Adjoint Systems for Evolutionary PDEs

We investigate the geometric structure of adjoint systems associated with evolutionary partial differential equations at the fully continuous, semi-discrete, and fully discrete levels and the relations between these levels. We show that the adjoint system associated with an evolutionary partial differential equation has an infinite-dimensional Hamiltonian structure, which is useful for connecting the fully continuous, semi-discrete, and fully discrete levels. We subsequently address the question of discretize-then-optimize versus optimize-then-discrete for both semi-discretization and time integration, by characterizing the commutativity of discretize-then-optimize methods versus optimize-then-discretize methods uniquely in terms of an adjoint-variational quadratic conservation law. For Galerkin semi-discretizations and one-step time integration methods in particular, we explicitly construct these commuting methods by using structure-preserving discretization techniques.

math.OC↗
arXiv2024

Safe Stabilizing Control for Polygonal Robots in Dynamic Elliptical Environments

This paper addresses the challenge of safe navigation for rigid-body mobile robots in dynamic environments. We introduce an analytic approach to compute the distance between a polygon and an ellipse, and employ it to construct a control barrier function (CBF) for safe control synthesis. Existing CBF design methods for mobile robot obstacle avoidance usually assume point or circular robots, preventing their applicability to more realistic robot body geometries. Our work enables CBF designs that capture complex robot and obstacle shapes. We demonstrate the effectiveness of our approach in simulations highlighting real-time obstacle avoidance in constrained and dynamic environments for both mobile robots and multi-joint robot arms.

cs.RO↗
arXiv2024

Simplifying Momentum-based Positive-definite Submanifold Optimization with Applications to Deep Learning

Riemannian submanifold optimization with momentum is computationally challenging because, to ensure that the iterates remain on the submanifold, we often need to solve difficult differential equations. Here, we simplify such difficulties for a class of sparse or structured symmetric positive-definite matrices with the affine-invariant metric. We do so by proposing a generalized version of the Riemannian normal coordinates that dynamically orthonormalizes the metric and locally converts the problem into an unconstrained problem in the Euclidean space. We use our approach to simplify existing approaches for structured covariances and develop matrix-inverse-free $2^\text{nd}$-order optimizers for deep learning with low precision by using only matrix multiplications. Code: https://github.com/yorkerlin/StructuredNGD-DL

stat.ML↗
arXiv2024

Lie Group Variational Collision Integrators for a Class of Hybrid Systems

The problem of 3-dimensional, convex rigid-body collision over a plane is fully investigated; this includes bodies with sharp corners that is resolved without the need for nonsmooth convex analysis of tangent and normal cones. In particular, using nonsmooth Lagrangian mechanics, the equations of motion and jump equations are derived, which are largely dependent on the collision detection function. Following the variational approach, a Lie group variational collision integrator (LGVCI) is systematically derived that is symplectic, momentum-preserving, and has excellent long-time, near energy conservation. Furthermore, systems with corner impacts are resolved adeptly using $ε$-rounding on the sign distance function (SDF) of the body. Extensive numerical experiments are conducted to demonstrate the conservation properties of the LGVCI.

math.NA↗
arXiv2023

Geometric Methods for Adjoint Systems

Adjoint systems are widely used to inform control, optimization, and design in systems described by ordinary differential equations or differential-algebraic equations. In this paper, we explore the geometric properties and develop methods for such adjoint systems. In particular, we utilize symplectic and presymplectic geometry to investigate the properties of adjoint systems associated with ordinary differential equations and differential-algebraic equations, respectively. We show that the adjoint variational quadratic conservation laws, which are key to adjoint sensitivity analysis, arise from (pre)symplecticity of such adjoint systems. We discuss various additional geometric properties of adjoint systems, such as symmetries and variational characterizations. For adjoint systems associated with a differential-algebraic equation, we relate the index of the differential-algebraic equation to the presymplectic constraint algorithm of Gotay et al. [18]. As an application of this geometric framework, we discuss how the adjoint variational quadratic conservation laws can be used to compute sensitivities of terminal or running cost functions. Furthermore, we develop structure-preserving numerical methods for such systems using Galerkin Hamiltonian variational integrators (Leok and Zhang [23]) which admit discrete analogues of these quadratic conservation laws. We additionally show that such methods are natural, in the sense that reduction, forming the adjoint system, and discretization all commute, for suitable choices of these processes. We utilize this naturality to derive a variational error analysis result for the presymplectic variational integrator that we use to discretize the adjoint DAE system. Finally, we discuss the application of adjoint systems in the context of optimal control problems, where we prove a similar naturality result.

math.OC↗
arXiv2023

Practical Perspectives on Symplectic Accelerated Optimization

Geometric numerical integration has recently been exploited to design symplectic accelerated optimization algorithms by simulating the Lagrangian and Hamiltonian systems from the variational framework introduced in Wibisono et al. In this paper, we discuss practical considerations which can significantly boost the computational performance of these optimization algorithms, and considerably simplify the tuning process. In particular, we investigate how momentum restarting schemes ameliorate computational efficiency and robustness by reducing the undesirable effect of oscillations, and ease the tuning process by making time-adaptivity superfluous. We also discuss how temporal looping helps avoiding instability issues caused by numerical precision, without harming the computational efficiency of the algorithms. Finally, we compare the efficiency and robustness of different geometric integration techniques, and study the effects of the different parameters in the algorithms to inform and simplify tuning in practice. From this paper emerge symplectic accelerated optimization algorithms whose computational efficiency, stability and robustness have been improved, and which are now much simpler to use and tune for practical applications.

math.OC↗
arXiv2023

Lie Group Forced Variational Integrator Networks for Learning and Control of Robot Systems

Incorporating prior knowledge of physics laws and structural properties of dynamical systems into the design of deep learning architectures has proven to be a powerful technique for improving their computational efficiency and generalization capacity. Learning accurate models of robot dynamics is critical for safe and stable control. Autonomous mobile robots, including wheeled, aerial, and underwater vehicles, can be modeled as controlled Lagrangian or Hamiltonian rigid-body systems evolving on matrix Lie groups. In this paper, we introduce a new structure-preserving deep learning architecture, the Lie group Forced Variational Integrator Network (LieFVIN), capable of learning controlled Lagrangian or Hamiltonian dynamics on Lie groups, either from position-velocity or position-only data. By design, LieFVINs preserve both the Lie group structure on which the dynamics evolve and the symplectic structure underlying the Hamiltonian or Lagrangian systems of interest. The proposed architecture learns surrogate discrete-time flow maps allowing accurate and fast prediction without numerical-integrator, neural-ODE, or adjoint techniques, which are needed for vector fields. Furthermore, the learnt discrete-time dynamics can be utilized with computationally scalable discrete-time (optimal) control strategies.

cs.RO↗
arXiv2023

Time-adaptive Lagrangian Variational Integrators for Accelerated Optimization on Manifolds

A variational framework for accelerated optimization was recently introduced on normed vector spaces and Riemannian manifolds in Wibisono et al. (2016) and Duruisseaux and Leok (2021). It was observed that a careful combination of timeadaptivity and symplecticity in the numerical integration can result in a significant gain in computational efficiency. It is however well known that symplectic integrators lose their near energy preservation properties when variable time-steps are used. The most common approach to circumvent this problem involves the Poincare transformation on the Hamiltonian side, and was used in Duruisseaux et al. (2021) to construct efficient explicit algorithms for symplectic accelerated optimization. However, the current formulations of Hamiltonian variational integrators do not make intrinsic sense on more general spaces such as Riemannian manifolds and Lie groups. In contrast, Lagrangian variational integrators are well-defined on manifolds, so we develop here a framework for time-adaptivity in Lagrangian variational integrators and use the resulting geometric integrators to solve optimization problems on normed vector spaces and Lie groups.

math.OC↗