arXiv subjects

Sina Ober-Blöbaum

Publications and source records attributed to Sina Ober-Blöbaum.

At least 19 recordsLinked to original sources

arXiv2026

Commutator-free Cayley methods

Differential equations posed on quadratic matrix Lie groups arise in the context of classical mechanics and quantum dynamical systems. Lie group numerical integrators preserve the constants of motions defining the Lie group. Thus, they respect important physical laws of the dynamical system, such as unitarity and energy conservation in the context of quantum dynamical systems, for instance. In this article we develop a high-order commutator free Lie group integrator for non-autonomous differential equations evolving on quadratic Lie groups. Instead of matrix exponentials, which are expensive to evaluate and need to be approximated by appropriate rational functions in order to preserve the Lie group structure, the proposed method is obtained as a composition of Cayley transforms which naturally respect the structure of quadratic Lie groups while being computationally efficient to evaluate. Unlike Cayley--Magnus methods the method is also free from nested matrix commutators.

math.NA↗

arXiv2026

Non static exponential turnpike property for optimal control problems with symmetries and boundary conditions

Optimal control problems with symmetries often admit a non stationary turnpike property called trim turnpike, which characterizes the convergence of optimal solutions to certain symmetry induced trajectories called trim primitives. In this paper we establish an exponential trim turnpike property for a class of optimal control problems with structural properties related to Abelian Lie group symmetries. The key ingredient of our approach is the introduction of an appropriate reduced optimal control problem. We show that extremals of the original problem can be characterized through a reduced Hamiltonian boundary value problem that coincides with the optimality system of the reduced problem. Under a hyperbolicity assumption on the equilibrium of the corresponding reduced Hamiltonian system we prove that optimal trajectories remain exponentially close, up to boundary layers near the endpoints, to a trim primitive defined by the static reduced problem. The theoretical results are illustrated on three representative examples: linear and nonlinear problems with quadratic cost and the Kepler orbital transfer problem.

math.OC↗

arXiv2026

Cayley Commutator-free Methods for Krotov-Type Algorithms in Quantum Optimal Control

This paper presents a class of structure-preserving numerical methods for quantum optimal control problems, based on commutator-free Cayley integrators. Starting from the Krotov framework, we reformulate the forward and backward propagation steps using Cayley-type schemes that preserve unitarity and symmetry at the discrete level. This approach eliminates the need for matrix exponentials and commutators, leading to significant computational savings while maintaining higher-order accuracy. We first recall the standard linear setting and then extend the formulation to nonlinear Schrödinger and Gross-Pitaevskii equations using a Cayley-polynomial interpolation strategy. Numerical experiments on state-transfer problems illustrate that the CF-Cayley method achieves the same accuracy as high-order exponential or Cayley-Magnus schemes at substantially lower cost, especially for longtime or highly oscillatory dynamics. In the nonlinear regime, the structure-preserving properties of the method ensure stability and norm conservation, making it a robust tool for large-scale quantum control simulations. The proposed framework thus bridges geometric integration and optimal control, offering an efficient and reliable alternative to existing exponential-based propagators.

math.NA↗

arXiv2026

Numerical approaches to entangling dynamics from variational principles

In this work, we address the numerical identification of entanglement in dynamical scenarios. To this end, we consider different programs based on the restriction of the evolution to the set of separable (i.e., non-entangled) states, together with the discretization of the space of variables for numerical computations. As a first approach, we apply linear splitting methods to the restricted, continuous equations of motion derived from variational principles. We utilize an exchange interaction Hamiltonian to confirm that the numerical and analytical solutions coincide in the limit of small time steps. The application to different Hamiltonians shows the wide applicability of the method to detect dynamical entanglement. To avoid the derivation of analytical solutions for complex dynamics, we consider variational, numerical integration schemes, introducing a variational discretization for Lagrangians linear in velocities. Here, we examine and compare two approaches: one in which the system is discretized before the restriction is applied, and another in which the restriction precedes the discretization. We find that the "first-discretize-then-restrict" method becomes numerically unstable, already for the example of an exchange-interaction Hamiltonian, which can be an important consideration for the numerical analysis of constrained quantum dynamics. Thereby, broadly applicable numerical tools, including their limitations, for studying entanglement over time are established for assessing the entangling power of processes that are used in quantum information theory.

quant-ph↗

arXiv2025

On Runge-Kutta convolution quadrature based fractional variational integrators

Lagrangian systems subject to fractional damping can be incorporated into a variational formalism. The construction can be made by doubling the state variables and introducing fractional derivatives \cite{JiOb2}. The main objective of this paper is to use the Runge-Kutta convolution quadrature (RKCQ) method for approximating fractional derivatives, combined with higher order Galerkin methods in order to derive fractional variational integrators (FVIs). We are specially interested in the CQ based on Lobatto IIIC. Preservation properties such as energy decay as well as convergence properties are investigated numerically and proved for 2nd order schemes. The presented schemes reach 2nd, 4th and 6th accuracy order. A brief discussion on the midpoint fractional integrator is also included.

math.NA↗

arXiv2025

Second order optimality conditions in a new Lagrangian formulation for optimal control problems

It has been shown recently that optimal control problems with the dynamical constraint given by a second order system admit a regular Lagrangian formulation. This implies that the optimality conditions can be obtained in a new form based on the variational approach. In this paper we extend the first order necessary optimality conditions obtained previously to second order optimality conditions. This results in a complete characterization of the optimality conditions in a new Lagrangian form.

math.OC↗

arXiv2025

A new Lagrangian approach to optimal control of second-order systems

In this work, we propose and study a new approach to formulate the optimal control problem of second-order differential equations, with a particular interest in those derived from force-controlled Lagrangian systems. The formulation results in a new hyperregular control Langrangian and, thus, a new control Hamiltonian whose equations of motion provide necessary optimality conditions. We compare this approach to Pontryagin's maximum principle (PMP) in this setting, providing geometric insight into their relation. This leads us to define an extended Tulczyjew's triple with controls. Moreover, we study the relationship between Noether symmetries of this new formulation and those of the PMP.

math.OC↗

arXiv2025

Adaptive higher order reversible integrators for memory efficient deep learning

The depth of networks plays a crucial role in the effectiveness of deep learning. However, the memory requirement for backpropagation scales linearly with the number of layers, which leads to memory bottlenecks during training. Moreover, deep networks are often unable to handle time-series data appearing at irregular intervals. These issues can be resolved by considering continuous-depth networks based on the neural ODE framework in combination with reversible integration methods that allow for variable time-steps. Reversibility of the method ensures that the memory requirement for training is independent of network depth, while variable time-steps are required for assimilating time-series data on irregular intervals. However, at present, there are no known higher-order reversible methods with this property. High-order methods are especially important when a high level of accuracy in learning is required or when small time-steps are necessary due to large errors in time integration of neural ODEs, for instance in context of complex dynamical systems such as Kepler systems and molecular dynamics. The requirement of small time-steps when using a low-order method can significantly increase the computational cost of training as well as inference. In this work, we present an approach for constructing high-order reversible methods that allow adaptive time-stepping. Our numerical tests show the advantages in computational speed when applied to the task of learning dynamical systems.

math.NA↗

arXiv2025

Variational integrators for a new Lagrangian approach to control affine systems with a quadratic Lagrange term

In this work, we analyse the discretisation of a recently proposed new Lagrangian approach to optimal control problems of affine-controlled second-order differential equations with cost functions quadratic in the controls. We propose exact discrete and semi-discrete versions of the problem, providing new tools to develop numerical methods. Discrete necessary conditions for optimality are derived and their equivalence with the continuous version is proven. A family of low-order integration schemes is devised to find approximate optimality conditions, and used to solve a low-thrust orbital transfer problem. Non-trivial equivalent standard direct methods are constructed. Noether's theorem for the new Lagrangian approach is investigated in the exact and approximate cases.

math.OC↗

arXiv2025

Multiphoton, multimode state classification for nonlinear optical circuits

We introduce a new classification of multimode states with a fixed number of photons. This classification is based on the factorizability of homogeneous multivariate polynomials and is invariant under unitary transformations. The classes physically correspond to field excitations in terms of single and multiple photons, each of which being in an arbitrary irreducible superposition of quantized modes. We further show how the transitions between classes are rendered possible by photon addition, photon subtraction, and photon-projection nonlinearities. We explicitly put forward a design for a multilayer interferometer in which the states for different classes can be generated with state-of-the-art experimental techniques. Limitations of the proposed designs are analyzed using the introduced classification, providing a benchmark for the robustness of certain states and classes.

quant-ph↗

arXiv2025

Discrete Lagrangian Neural Networks with Automatic Symmetry Discovery

By one of the most fundamental principles in physics, a dynamical system will exhibit those motions which extremise an action functional. This leads to the formation of the Euler-Lagrange equations, which serve as a model of how the system will behave in time. If the dynamics exhibit additional symmetries, then the motion fulfils additional conservation laws, such as conservation of energy (time invariance), momentum (translation invariance), or angular momentum (rotational invariance). To learn a system representation, one could learn the discrete Euler-Lagrange equations, or alternatively, learn the discrete Lagrangian function $\mathcal{L}_d$ which defines them. Based on ideas from Lie group theory, in this work we introduce a framework to learn a discrete Lagrangian along with its symmetry group from discrete observations of motions and, therefore, identify conserved quantities. The learning process does not restrict the form of the Lagrangian, does not require velocity or momentum observations or predictions and incorporates a cost term which safeguards against unwanted solutions and against potential numerical issues in forward simulations. The learnt discrete quantities are related to their continuous analogues using variational backward error analysis and numerical results demonstrate the improvement such models can have both qualitatively and quantitatively even in the presence of noise.

cs.LG↗

arXiv2024

Trim turnpikes for optimal control problems with symmetries

Motivated by mechanical systems with symmetries, we focus on optimal control problems possessing symmetries. Following recent works, which generalized the classical concept of static turnpike to manifold turnpike, we extend the exponential turnpike property to the exponential trim turnpike for control systems with symmetries induced by abelian or non-abelian groups. Our analysis is mainly based on the geometric reduction of control systems with symmetries. More concretely, we first reduce the control system on the quotient space and state the turnpike theorem for the reduced problem. Then we use the group properties to obtain the trim turnpike theorem for the full problem. Finally, we illustrate our results on the Kepler problem and the Rigid body problem.

math.OC↗

arXiv2024

Variational multirate integrators

The simulation of systems that act on multiple time scales is challenging. A stable integration of the fast dynamics requires a highly accurate approximation whereas for the simulation of the slow part, a coarser approximation is accurate enough. With regard to the general goals of any numerical method, high accuracy and low computational costs, a popular approach is to treat the slow and the fast part of a system differently. Embedding this approach in a variational framework is the keystone of this work. By paralleling continuous and discrete variational multirate dynamics, integrators are derived on a time grid consisting of macro and micro time nodes that are symplectic, momentum preserving and also exhibit good energy behaviour. The choice of the discrete approximations for the action determines the convergence order of the scheme as well as its implicit or explicit nature for the different parts of the multirate system. The convergence order is proven using the theory of variational error analysis. The performance of the multirate variational integrators is demonstrated by means of several examples.

math.NA↗

arXiv2024

Symplectic Methods in Deep Learning

Deep learning is widely used in tasks including image recognition and generation, in learning dynamical systems from data and many more. It is important to construct learning architectures with theoretical guarantees to permit safety in the applications. There has been considerable progress in this direction lately. In particular, symplectic networks were shown to have the non vanishing gradient property, essential for numerical stability. On the other hand, architectures based on higher order numerical methods were shown to be efficient in many tasks where the learned function has an underlying dynamical structure. In this work we construct symplectic networks based on higher order explicit methods with non vanishing gradient property and test their efficiency on various examples.

math.NA↗

arXiv2024

Fractional variational integrators based on convolution quadrature

Fractional dissipation is a powerful tool to study non-local physical phenomena such as damping models. The design of geometric, in particular, variational integrators for the numerical simulation of such systems relies on a variational formulation of the model. In [19], a new approach is proposed to deal with dissipative systems including fractionally damped systems in a variational way for both, the continuous and discrete setting. It is based on the doubling of variables and their fractional derivatives. The aim of this work is to derive higher-order fractional variational integrators by means of convolution quadrature (CQ) based on backward difference formulas. We then provide numerical methods that are of order 2 improving a previous result in [19]. The convergence properties of the fractional variational integrators and saturation effects due to the approximation of the fractional derivatives by CQ are studied numerically.

math.NA↗

arXiv2024

Learning of discrete models of variational PDEs from data

We show how to learn discrete field theories from observational data of fields on a space-time lattice. For this, we train a neural network model of a discrete Lagrangian density such that the discrete Euler--Lagrange equations are consistent with the given training data. We, thus, obtain a structure-preserving machine learning architecture. Lagrangian densities are not uniquely defined by the solutions of a field theory. We introduce a technique to derive regularisers for the training process which optimise numerical regularity of the discrete field theory. Minimisation of the regularisers guarantees that close to the training data the discrete field theory behaves robust and efficient when used in numerical simulations. Further, we show how to identify structurally simple solutions of the underlying continuous field theory such as travelling waves. This is possible even when travelling waves are not present in the training data. This is compared to data-driven model order reduction based approaches, which struggle to identify suitable latent spaces containing structurally simple solutions when these are not present in the training data. Ideas are demonstrated on examples based on the wave equation and the Schrödinger equation.

math.NA↗

arXiv2023

Discrete Adjoint Method for Variational Integration of Constrained ODEs and its application to Optimal Control of Geometrically Exact Beam Dynamics

Direct methods for the simulation of optimal control problems apply a specific discretization to the dynamics of the problem, and the discrete adjoint method is suitable to calculate corresponding conditions to approximate an optimal solution. While the benefits of structure preserving or geometric methods have been known for decades, their exploration in the context of optimal control problems is a relatively recent field of research. In this work, the discrete adjoint method is derived for variational integrators yielding structure preserving approximations of the dynamics firstly in the ODE case and secondly for the case in which the dynamics is subject to holonomic constraints. The convergence rates are illustrated by numerical examples. Thirdly, the discrete adjoint method is applied to geometrically exact beam dynamics, represented by a holonomically constrained PDE.

math.OC↗

arXiv2023

Learning discrete Lagrangians for variational PDEs from data and detection of travelling waves

The article shows how to learn models of dynamical systems from data which are governed by an unknown variational PDE. Rather than employing reduction techniques, we learn a discrete field theory governed by a discrete Lagrangian density $L_d$ that is modelled as a neural network. Careful regularisation of the loss function for training $L_d$ is necessary to obtain a field theory that is suitable for numerical computations: we derive a regularisation term which optimises the solvability of the discrete Euler--Lagrange equations. Secondly, we develop a method to find solutions to machine learned discrete field theories which constitute travelling waves of the underlying continuous PDE.

math.NA↗