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 runge-kutta method





Neural network-enhanced integrators for simulating ordinary differential equations

Othmane, Amine, Flaßkamp, Kathrin

arXiv.org Artificial Intelligence

Numerous applications necessitate the computation of numerical solutions to differential equations across a wide range of initial conditions and system parameters, which feeds the demand for efficient yet accurate numerical integration methods.This study proposes a neural network (NN) enhancement of classical numerical integrators. NNs are trained to learn integration errors, which are then used as additive correction terms in numerical schemes. The performance of these enhanced integrators is compared with well-established methods through numerical studies, with a particular emphasis on computational efficiency. Analytical properties are examined in terms of local errors and backward error analysis. Embedded Runge-Kutta schemes are then employed to develop enhanced integrators that mitigate generalization risk, ensuring that the neural network's evaluation in previously unseen regions of the state space does not destabilize the integrator. It is guaranteed that the enhanced integrators perform at least as well as the desired classical Runge-Kutta schemes. The effectiveness of the proposed approaches is demonstrated through extensive numerical studies using a realistic model of a wind turbine, with parameters derived from the established simulation framework OpenFast.


Physics-Informed Neural Networks for Optimal Vaccination Plan in SIR Epidemic Models

Kim, Minseok, Kim, Yeongjong, Kim, Yeoneung

arXiv.org Artificial Intelligence

The eradication time is defined as the earliest time the infectious population drops below a given threshold and remains below it. For time-homogeneous models, the eradication time is well-defined due to the predictable dynamics of the infectious population, and optimal control strategies can be systematically studied. We utilize Physics-Informed Neural Networks (PINNs) to solve the partial differential equation (PDE) governing the eradication time and derive the corresponding optimal vaccination control. The PINN framework enables a mesh-free solution to the PDE by embedding the dynamics directly into the loss function of a deep neural network. We use a variable scaling method to ensure stable training of PINN and mathematically analyze that this method is effective in our setting. This approach provides an efficient computational alternative to traditional numerical methods, allowing for an approximation of the eradication time and the optimal control strategy. Through numerical experiments, we validate the effectiveness of the proposed method in computing the minimum eradication time and achieving optimal control. This work offers a novel application of PINNs to epidemic modeling, bridging mathematical theory and computational practice for time-homogeneous SIR models.


Probabilistic ODE Solvers with Runge-Kutta Means

Michael Schober, David K. Duvenaud, Philipp Hennig

Neural Information Processing Systems

Runge-Kutta methods are the classic family of solvers for ordinary differential equations (ODEs), and the basis for the state of the art. Like most numerical methods, they return point estimates. We construct a family of probabilistic numerical methods that instead return a Gauss-Markov process defining a probability distribution over the ODE solution. In contrast to prior work, we construct this family such that posterior means match the outputs of the Runge-Kutta family exactly, thus inheriting their proven good properties. Remaining degrees of freedom not identified by the match to Runge-Kutta are chosen such that the posterior probability measure fits the observed structure of the ODE. Our results shed light on the structure of Runge-Kutta solvers from a new direction, provide a richer, probabilistic output, have low computational cost, and raise new research questions.


Regularized dynamical parametric approximation of stiff evolution problems

Lubich, Christian, Nick, Jörg

arXiv.org Artificial Intelligence

Evolutionary deep neural networks have emerged as a rapidly growing field of research. This paper studies numerical integrators for such and other classes of nonlinear parametrizations $ u(t) = \Phi(\theta(t)) $, where the evolving parameters $\theta(t)$ are to be computed. The primary focus is on tackling the challenges posed by the combination of stiff evolution problems and irregular parametrizations, which typically arise with neural networks, tensor networks, flocks of evolving Gaussians, and in further cases of overparametrization. We propose and analyse regularized parametric versions of the implicit Euler method and higher-order implicit Runge--Kutta methods for the time integration of the parameters in nonlinear approximations to evolutionary partial differential equations and large systems of stiff ordinary differential equations. At each time step, an ill-conditioned nonlinear optimization problem is solved approximately with a few regularized Gauss--Newton iterations. Error bounds for the resulting parametric integrator are derived by relating the computationally accessible Gauss--Newton iteration for the parameters to the computationally inaccessible Newton iteration for the underlying non-parametric time integration scheme. The theoretical findings are supported by numerical experiments that are designed to show key properties of the proposed parametric integrators.


Machine-learning emergent spacetime from linear response in future tabletop quantum gravity experiments

Hashimoto, Koji, Matsuo, Koshiro, Murata, Masaki, Ogiwara, Gakuto, Takeda, Daichi

arXiv.org Artificial Intelligence

We introduce a novel interpretable Neural Network (NN) model designed to perform precision bulk reconstruction under the AdS/CFT correspondence. According to the correspondence, a specific condensed matter system on a ring is holographically equivalent to a gravitational system on a bulk disk, through which tabletop quantum gravity experiments may be possible as reported in arXiv:2211.13863. The purpose of this paper is to reconstruct a higher-dimensional gravity metric from the condensed matter system data via machine learning using the NN. Our machine reads spatially and temporarily inhomogeneous linear response data of the condensed matter system, and incorporates a novel layer that implements the Runge-Kutta method to achieve better numerical control. We confirm that our machine can let a higher-dimensional gravity metric be automatically emergent as its interpretable weights, using a linear response of the condensed matter system as data, through supervised machine learning. The developed method could serve as a foundation for generic bulk reconstruction, i.e., a practical solution to the AdS/CFT correspondence, and would be implemented in future tabletop quantum gravity experiments.


Trans-Bifurcation Prediction of Dynamics in terms of Extreme Learning Machines with Control Inputs

Tadokoro, Satoru, Yamaguchi, Akihiro, Namiki, Takao, Tsuda, Ichiro

arXiv.org Machine Learning

By extending the extreme learning machine by additional control inputs, we achieved almost complete reproduction of bifurcation structures of dynamical systems. The learning ability of the proposed neural network system is striking in that the entire structure of the bifurcations of a target one-parameter family of dynamical systems can be nearly reproduced by training on transient dynamics using only a few parameter values. Moreover, we propose a mechanism to explain this remarkable learning ability and discuss the relationship between the present results and similar results obtained by Kim et al.


Adaptive Probabilistic ODE Solvers Without Adaptive Memory Requirements

Krämer, Nicholas

arXiv.org Machine Learning

Despite substantial progress in recent years, probabilistic solvers with adaptive step sizes can still not solve memory-demanding differential equations -- unless we care only about a single point in time (which is far too restrictive; we want the whole time series). Counterintuitively, the culprit is the adaptivity itself: Its unpredictable memory demands easily exceed our machine's capabilities, making our simulations fail unexpectedly and without warning. Still, dropping adaptivity would abandon years of progress, which can't be the answer. In this work, we solve this conundrum. We develop an adaptive probabilistic solver with fixed memory demands building on recent developments in robust state estimation. Switching to our method (i) eliminates memory issues for long time series, (ii) accelerates simulations by orders of magnitude through unlocking just-in-time compilation, and (iii) makes adaptive probabilistic solvers compatible with scientific computing in JAX.