W e thank all reviewers. W e think the negative impression of R5 is due to misunderstandings which we clarify. To our knowledge, this is the first numerical scheme for matrix functions like the matrix power means. R1:Case where clusters have different sizes. We are currently working on provable properties for this case.

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. Keywords Hamiltonian dynamics, structure preserving integrator, symplectic integrators, neural models, geometric machine learning, guiding center Subject classification (MSC2020) 65P10, 68T07, 37M15 1 Introduction With the rise in machine learning research, the connection between neural networks and differential equations--particularly ordinary differential equations (ODEs)--has become an increasingly active area of study, explored through three main application domains. The first approach interprets certain neural networks, such as Residual Networks (ResNets), as discretizations of ODEs [CRBD18, DDT19, MPP + 20]. This perspective not only enables the design of novel architectures but also provides deeper insight into the internal dynamics of neural networks.

We introduce (U)NFV, a modular neural network architecture that generalizes classical finite volume (FV) methods for solving hyperbolic conservation laws. Hyperbolic partial differential equations (PDEs) are challenging to solve, particularly conservation laws whose physically relevant solutions contain shocks and discontinuities. FV methods are widely used for their mathematical properties: convergence to entropy solutions, flow conservation, or total variation diminishing, but often lack accuracy and flexibility in complex settings. Neural Finite Volume addresses these limitations by learning update rules over extended spatial and temporal stencils while preserving conservation structure. It supports both supervised training on solution data (NFV) and unsupervised training via weak-form residual loss (UNFV). Applied to first-order conservation laws, (U)NFV achieves up to 10x lower error than Godunov's method, outperforms ENO/WENO, and rivals discontinuous Galerkin solvers with far less complexity. On traffic modeling problems, both from PDEs and from experimental highway data, (U)NFV captures nonlinear wave dynamics with significantly higher fidelity and scalability than traditional FV approaches.

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.

Signature kernels have emerged as a powerful tool within kernel methods for sequential data. In the paper "The Signature Kernel is the solution of a Goursat PDE", the authors identify a kernel trick that demonstrates that, for continuously differentiable paths, the signature kernel satisfies a Goursat problem for a hyperbolic partial differential equation (PDE) in two independent time variables. While finite difference methods have been explored for this PDE, they face limitations in accuracy and stability when handling highly oscillatory inputs. In this work, we introduce two advanced numerical schemes that leverage polynomial representations of boundary conditions through either approximation or interpolation techniques, and rigorously establish the theoretical convergence of the polynomial approximation scheme. Experimental evaluations reveal that our approaches yield improvements of several orders of magnitude in mean absolute percentage error (MAPE) compared to traditional finite difference schemes, without increasing computational complexity. Furthermore, like finite difference methods, our algorithms can be GPU-parallelized to reduce computational complexity from quadratic to linear in the length of the input sequences, thereby improving scalability for high-frequency data. We have implemented these algorithms in a dedicated Python library, which is publicly available at: https://github.com/FrancescoPiatti/polysigkernel.

Score-based diffusion models have emerged as powerful techniques for generating samples from high-dimensional data distributions. These models involve a two-phase process: first, injecting noise to transform the data distribution into a known prior distribution, and second, sampling to recover the original data distribution from noise. Among the various sampling methods, deterministic samplers stand out for their enhanced efficiency. However, analyzing these deterministic samplers presents unique challenges, as they preclude the use of established techniques such as Girsanov's theorem, which are only applicable to stochastic samplers. Furthermore, existing analysis for deterministic samplers usually focuses on specific examples, lacking a generalized approach for general forward processes and various deterministic samplers. Our paper addresses these limitations by introducing a unified convergence analysis framework. To demonstrate the power of our framework, we analyze the variance-preserving (VP) forward process with the exponential integrator (EI) scheme, achieving iteration complexity of $\tilde O(d^2/\epsilon)$. Additionally, we provide a detailed analysis of Denoising Diffusion Implicit Models (DDIM)-type samplers, which have been underexplored in previous research, achieving polynomial iteration complexity.

The development of data-driven approaches for solving differential equations has been followed by a plethora of applications in science and engineering across a multitude of disciplines and remains a central focus of active scientific inquiry. However, a large body of natural phenomena incorporates memory effects that are best described via fractional integro-differential equations (FIDEs), in which the integral or differential operators accept non-integer orders. Addressing the challenges posed by nonlinear FIDEs is a recognized difficulty, necessitating the application of generic methods with immediate practical relevance. This work introduces the Universal Fractional Integro-Differential Equation Solvers (UniFIDES), a comprehensive machine learning platform designed to expeditiously solve a variety of FIDEs in both forward and inverse directions, without the need for ad hoc manipulation of the equations. The effectiveness of UniFIDES is demonstrated through a collection of integer-order and fractional problems in science and engineering. Our results highlight UniFIDES' ability to accurately solve a wide spectrum of integro-differential equations and offer the prospect of using machine learning platforms universally for discovering and describing dynamical and complex systems.