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 computational physics



Reduced-Basis Deep Operator Learning for Parametric PDEs with Independently Varying Boundary and Source Data

Wang, Yueqi, Lin, Guang

arXiv.org Artificial Intelligence

Parametric PDEs power modern simulation, design, and digital-twin systems, yet their many-query workloads still hinge on repeatedly solving large finite-element systems. Existing operator-learning approaches accelerate this process but often rely on opaque learned trunks, require extensive labeled data, or break down when boundary and source data vary independently from physical parameters. We introduce RB-DeepONet, a hybrid operator-learning framework that fuses reduced-basis (RB) numerical structure with the branch-trunk architecture of DeepONet. The trunk is fixed to a rigorously constructed RB space generated offline via Greedy selection, granting physical interpretability, stability, and certified error control. The branch network predicts only RB coefficients and is trained label-free using a projected variational residual that targets the RB-Galerkin solution. For problems with independently varying loads or boundary conditions, we develop boundary and source modal encodings that compress exogenous data into low-dimensional coordinates while preserving accuracy. Combined with affine or empirical interpolation decompositions, RB-DeepONet achieves a strict offline-online split: all heavy lifting occurs offline, and online evaluation scales only with the RB dimension rather than the full mesh. We provide convergence guarantees separating RB approximation error from statistical learning error, and numerical experiments show that RB-DeepONet attains accuracy competitive with intrusive RB-Galerkin, POD-DeepONet, and FEONet while using dramatically fewer trainable parameters and achieving significant speedups. This establishes RB-DeepONet as an efficient, stable, and interpretable operator learner for large-scale parametric PDEs.


Structure-Preserving Physics-Informed Neural Network for the Korteweg--de Vries (KdV) Equation

Obieke, Victory, Oguadimma, Emmanuel

arXiv.org Artificial Intelligence

Physics-Informed Neural Networks (PINNs) offer a flexible framework for solving nonlinear partial differential equations (PDEs), yet conventional implementations often fail to preserve key physical invariants during long-term integration. This paper introduces a \emph{structure-preserving PINN} framework for the nonlinear Korteweg--de Vries (KdV) equation, a prototypical model for nonlinear and dispersive wave propagation. The proposed method embeds the conservation of mass and Hamiltonian energy directly into the loss function, ensuring physically consistent and energy-stable evolution throughout training and prediction. Unlike standard \texttt{tanh}-based PINNs~\cite{raissi2019pinn,wang2022modifiedpinn}, our approach employs sinusoidal activation functions that enhance spectral expressiveness and accurately capture the oscillatory and dispersive nature of KdV solitons. Through representative case studies -- including single-soliton propagation (shape-preserving translation), two-soliton interaction (elastic collision with phase shift), and cosine-pulse initialization (nonlinear dispersive breakup) -- the model successfully reproduces hallmark behaviors of KdV dynamics while maintaining conserved invariants. Ablation studies demonstrate that combining invariant-constrained optimization with sinusoidal feature mappings accelerates convergence, improves long-term stability, and mitigates drift without multi-stage pretraining. These results highlight that computationally efficient, invariant-aware regularization coupled with sinusoidal representations yields robust, energy-consistent PINNs for Hamiltonian partial differential equations such as the KdV equation.


PO-CKAN:Physics Informed Deep Operator Kolmogorov Arnold Networks with Chunk Rational Structure

Wu, Junyi, Lin, Guang

arXiv.org Artificial Intelligence

We propose PO-CKAN, a physics-informed deep operator framework based on Chunkwise Rational Kolmogorov--Arnold Networks (KANs), for approximating the solution operators of partial differential equations. This framework leverages a Deep Operator Network (DeepONet) architecture that incorporates Chunkwise Rational Kolmogorov-Arnold Network (CKAN) sub-networks for enhanced function approximation. The principles of Physics-Informed Neural Networks (PINNs) are integrated into the operator learning framework to enforce physical consistency. This design enables the efficient learning of physically consistent spatio-temporal solution operators and allows for rapid prediction for parametric time-dependent PDEs with varying inputs (e.g., parameters, initial/boundary conditions) after training. Validated on challenging benchmark problems, PO-CKAN demonstrates accurate operator learning with results closely matching high-fidelity solutions. PO-CKAN adopts a DeepONet-style branch--trunk architecture with its sub-networks instantiated as rational KAN modules, and enforces physical consistency via a PDE residual (PINN-style) loss. On Burgers' equation with $ν=0.01$, PO-CKAN reduces the mean relative $L^2$ error by approximately 48\% compared to PI-DeepONet, and achieves competitive accuracy on the Eikonal and diffusion--reaction benchmarks.



BEKAN: Boundary condition-guaranteed evolutionary Kolmogorov-Arnold networks with radial basis functions for solving PDE problems

Kim, Bongseok, Zhang, Jiahao, Lin, Guang

arXiv.org Machine Learning

Deep learning has gained attention for solving PDEs, but the black-box nature of neural networks hinders precise enforcement of boundary conditions. To address this, we propose a boundary condition-guaranteed evolutionary Kolmogorov-Arnold Network (KAN) with radial basis functions (BEKAN). In BEKAN, we propose three distinct and combinable approaches for incorporating Dirichlet, periodic, and Neumann boundary conditions into the network. For Dirichlet problem, we use smooth and global Gaussian RBFs to construct univariate basis functions for approximating the solution and to encode boundary information at the activation level of the network. To handle periodic problems, we employ a periodic layer constructed from a set of sinusoidal functions to enforce the boundary conditions exactly. For a Neumann problem, we devise a least-squares formulation to guide the parameter evolution toward satisfying the Neumann condition. By virtue of the boundary-embedded RBFs, the periodic layer, and the evolutionary framework, we can perform accurate PDE simulations while rigorously enforcing boundary conditions. For demonstration, we conducted extensive numerical experiments on Dirichlet, Neumann, periodic, and mixed boundary value problems. The results indicate that BEKAN outperforms both multilayer perceptron (MLP) and B-splines KAN in terms of accuracy. In conclusion, the proposed approach enhances the capability of KANs in solving PDE problems while satisfying boundary conditions, thereby facilitating advancements in scientific computing and engineering applications.


Sequential decoder training for improved latent space dynamics identification

Anderson, William, Chung, Seung Whan, Choi, Youngsoo

arXiv.org Machine Learning

Accurate numerical solutions of partial differential equations are essential in many scientific fields but often require computationally expensive solvers, motivating reduced-order models (ROMs). Latent Space Dynamics Identification (LaSDI) is a data-driven ROM framework that combines autoencoders with equation discovery to learn interpretable latent dynamics. However, enforcing latent dynamics during training can compromise reconstruction accuracy of the model for simulation data. We introduce multi-stage LaSDI (mLaSDI), a framework that improves reconstruction and prediction accuracy by sequentially learning additional decoders to correct residual errors from previous stages. Applied to the 1D-1V Vlasov equation, mLaSDI consistently outperforms standard LaSDI, achieving lower prediction errors and reduced training time across a wide range of architectures.


Were Residual Penalty and Neural Operators All We Needed for Solving Optimal Control Problems?

Lundqvist, Oliver G. S., Oliveira, Fabricio

arXiv.org Artificial Intelligence

Were Residual Penalty and Neural Operators All We Needed for Solving Optimal Control Problems? Abstract-- Neural networks have been used to solve optimal control problems, typically by training neural networks using a combined loss function that considers data, differential equation residuals, and objective costs. We show that including cost functions in the training process is unnecessary, advocating for a simpler architecture and streamlined approach by decoupling the optimal control problem from the training process. Thus, our work shows that a simple neural operator architecture, such as DeepONet, coupled with an unconstrained optimization routine, can solve multiple optimal control problems with a single physics-informed training phase and a subsequent optimization phase. We achieve this by adding a penalty term based on the differential equation residual to the cost function and computing gradients with respect to the control using automatic differentiation through the trained neural operator within an iterative optimization routine. Our results show acceptable accuracy for practical applications and potential computational savings for more complex and higher-dimensional problems. I. INTRODUCTION An optimal control problem is an optimization problem in which the system dynamics are described by differential equations, either ordinary differential equations (ODEs) or partial differential equations (PDEs), that explicitly depend on a control input.


Low-Rank Adaptation of Evolutionary Deep Neural Networks for Efficient Learning of Time-Dependent PDEs

Zhang, Jiahao, Zhang, Shiheng, Lin, Guang

arXiv.org Machine Learning

A B S T R A C T We study the Evolutionary Deep Neural Network (EDNN) framework for accelerating numerical solvers of time-dependent partial differential equations (PDEs). We introduce a Low-Rank Evolutionary Deep Neural Network (LR-EDNN), which constrains parameter evolution to a low-rank subspace, thereby reducing the effective dimensionality of training while preserving solution accuracy. The low-rank tangent subspace is defined layer-wise by the singular value decomposition (SVD) of the current network weights, and the resulting update is obtained by solving a well-posed, tractable linear system within this subspace. We evaluate LR-EDNN on representative PDE problems and compare it against corresponding baselines. Across cases, LR-EDNN achieves comparable accuracy with substantially fewer trainable parameters and reduced computational cost. These results indicate that low-rank constraints on parameter velocities, rather than full-space updates, provide a practical path toward scalable, efficient, and reproducible scientific machine learning for PDEs. Introduction The application of deep learning to solving partial differential equations (PDEs) has emerged as an active and promising research area, providing a powerful alternative to traditional numerical methods. Unlike classical approaches such as finite difference, finite element, or spectral methods, which rely on discretization and iterative solvers, deep learning methods leverage neural networks to approximate solutions directly, often bypassing the need for meshes and offering flexibility in handling irregular domains and high-dimensional problems [1, 2]. Early efforts in this domain focused primarily on two paradigms.


Modeling Partially Observed Nonlinear Dynamical Systems and Efficient Data Assimilation via Discrete-Time Conditional Gaussian Koopman Network

Chen, Chuanqi, Wang, Zhongrui, Chen, Nan, Wu, Jin-Long

arXiv.org Artificial Intelligence

A discrete-time conditional Gaussian Koopman network (CGKN) is developed in this work to learn surrogate models that can perform efficient state forecast and data assimilation (DA) for high-dimensional complex dynamical systems, e.g., systems governed by nonlinear partial differential equations (PDEs). Focusing on nonlinear partially observed systems that are common in many engineering and earth science applications, this work exploits Koopman embedding to discover a proper latent representation of the unobserved system states, such that the dynamics of the latent states are conditional linear, i.e., linear with the given observed system states. The modeled system of the observed and latent states then becomes a conditional Gaussian system, for which the posterior distribution of the latent states is Gaussian and can be efficiently evaluated via analytical formulae. The analytical formulae of DA facilitate the incorporation of DA performance into the learning process of the modeled system, which leads to a framework that unifies scientific machine learning (SciML) and data assimilation. The performance of discrete-time CGKN is demonstrated on several canonical problems governed by nonlinear PDEs with intermittency and turbulent features, including the viscous Burgers' equation, the Kuramoto-Sivashinsky equation, and the 2-D Navier-Stokes equations, with which we show that the discrete-time CGKN framework achieves comparable performance as the state-of-the-art SciML methods in state forecast and provides efficient and accurate DA results. The discrete-time CGKN framework also serves as an example to illustrate unifying the development of SciML models and their other outer-loop applications such as design optimization, inverse problems, and optimal control.