Neural Discovery of Memory and Nonlocal Kernels in Integro-Differential Equations with Constrained Kolmogorov--Arnold Networks
Authors: Aruzhan Tleubek, Salah A Faroughi
Organizations: aEnergy & Intelligence Lab, Department of Chemical Engineering, University of Utah, Salt Lake City, Utah 84112, USA · bDepartment of Mechanical Engineering, University of Utah, Salt Lake City, Utah 84112, USA
Discovering the memory or nonlocal kernel governing an integro-differential equation (IDE) from sparse and noisy observations is an ill-posed inverse problem. Existing identification methods often rely on problem-specific analytical derivations, specialized observation requirements, or restrictive assumptions about the kernel, limiting their applicability across different classes of IDEs. In this work, we propose a differentiable-solver-based framework for discovering memory and nonlocal kernels directly from spatiotemporal observations. Within the solver, the unknown kernel is represented using a constrained Kolmogorov--Arnold Network (KAN) parameterization, with the physical constraints imposed through two different approaches: a Bernstein-polynomial-based Monotone--Convex KAN (MC-KAN), whose coefficient constraints enforce positivity, monotonic decrease, and convexity by construction, and a Chebyshev-based KAN (Cheb-KAN), in which the same properties are encouraged through soft penalty terms. After training, symbolic regression is applied to the learned kernels to obtain interpretable closed-form representations. We evaluate both methods on benchmarks spanning a one-dimensional Volterra equation, a one-dimensional viscoelastic wave partial integro-differential equation, and a two-dimensional nonlocal reaction-diffusion equation with an anisotropic coupled kernel. For the 1D problems, both methods recover the correct kernel functional form and achieve comparable solution-reconstruction accuracy. In contrast, for the sparse and noisy 2D nonlocal problem, the hard-constrained MC-KAN consistently achieves lower kernel reconstruction errors than the soft-constrained Cheb-KAN. Our results demonstrate that enforcing physically motivated shape constraints by construction provides greater robustness than soft penalties for multidimensional kernel discovery from sparse and noisy observations.
Physics-informed learning of partial differential equations (PDEs) has been dominated by multilayer perceptrons (MLPs), whose spectral bias and dense parameterization limit both accuracy and interpretability. Kolmogorov Arnold Networks (KANs) mitigate these limitations because their learnable spline activations are structurally aligned with the piecewise-polynomial bases of classical discretizations. However, the way a PDE is cast into a loss functional is as decisive as the choice of approximator: strong-form residual minimization requires high-order derivatives and heavily weighted losses, the energy (Bubnov-Galerkin) form is restricted to self-adjoint operators and, as we show, collapses to a trivial solution for parameter-identification problems, and boundary integral forms require a known fundamental solution. We propose PG-KINN, a physics-informed KAN built on a Petrov-Galerkin formulation in which the trial space is a KAN and the test space is an independent, compactly supported, piecewise-polynomial space evaluated with Gauss-Legendre quadrature. Integration by parts lowers the differentiation order while retaining applicability to general non-self-adjoint, nonlinear, and inverse problems; the localized test functions turn the global residual into a set of element-wise weak residuals with favorable conditioning. On a suite of benchmarks spanning crack singularities, stress concentration, Neo-Hookean hyperelasticity, inverse parameter identification in heterogeneous media, and complex geometries, PG-KINN consistently outperforms legacy MLP baselines and state-of-the-art KAN-based strong/energy/inverse formulations (PIKAN). These results position the Petrov-Galerkin coupling of KAN trial spaces and polynomial test spaces as a robust and accurate route for AI-based computational mechanics.
Amirhossein Sadr, Nima Soltani, Vahideh Moghtadaiee +3
We develop a branched signature kernel solver for linear and nonlinear ordinary differential equations driven by a \emph{single observed trajectory} of a possibly rough forcing signal--a setting common within earthquake engineering, finance, biology, and structural health monitoring, where only one forcing realization is available, and the solver must respect the underlying physical law without an ensemble of realizations. We first introduce a count-sampling construction method to turn the single observation into a hierarchical family of N+1 nested training paths on which the branched signature kernel can be evaluated; this allows the signature kernel machinery, originally designed for multi-realization regression problems, to operate on a single-trajectory observation. Then we build a kernel-collocation framework, which places the ansatz either on the highest-order derivative of the solution or on the solution itself. We prove a universal approximation theorem for the branched signature kernel, leveraging the Hairer--Kelly morphism to express branched signature evaluations through geometric signatures of time-extended paths. The offline solver is extended to a streaming Test/Train/Retrain protocol with optional closed-form online updates in both linear and nonlinear cases. Numerical experiments on six benchmarks show accurate, stable predictions across all regimes.
Neural stochastic differential equations (SDEs) have emerged as powerful tools for learning noisy or stochastic dynamics directly from data; however, existing approaches largely assume uncoupled and continuous noise, limiting their applicability to realistic stochastic drivers, and often scale poorly in time, requiring expensive autoregressive training. To address these limitations, we propose Neural Kolmogorov Equations (NKEs), a deterministic, infinite-dimensional reformulation of Neural SDEs based on the Kolmogorov Forward equation, transforming the learning problem from modelling individual stochastic trajectories to modelling the evolution of probability densities. NKEs learn general Lévy-type stochastic forcing directly through the operator structure of the KFE, and enable parallel-in-time training via a Lagrangian Galerkin projection and operator splitting. We evaluate NKEs on several stochastic benchmarks, including systems with coupled noise and jump processes, and verify that NKEs provide flexible models that accurately recover deterministic and stochastic dynamics with competitive predictive accuracy and improved training efficiency. Code and pretrained models will be released.