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Which Optimizer Works Best for Physics-Informed Neural Networks and Kolmogorov-Arnold Networks?

arXiv.org Artificial Intelligence

Physics-Informed Neural Networks (PINNs) have revolutionized the computation of PDE solutions by integrating partial differential equations (PDEs) into the neural network's training process as soft constraints, becoming an important component of the scientific machine learning (SciML) ecosystem. In its current implementation, PINNs are mainly optimized using first-order methods like Adam, as well as quasi-Newton methods such as BFGS and its low-memory variant, L-BFGS. However, these optimizers often struggle with highly non-linear and non-convex loss landscapes, leading to challenges such as slow convergence, local minima entrapment, and (non)degenerate saddle points. In this study, we investigate the performance of Self-Scaled Broyden (SSBroyden) methods and other advanced quasi-Newton schemes, including BFGS and L-BFGS with different line search strategies approaches. These methods dynamically rescale updates based on historical gradient information, thus enhancing training efficiency and accuracy. We systematically compare these optimizers on key challenging linear, stiff, multi-scale and non-linear PDEs benchmarks, including the Burgers, Allen-Cahn, Kuramoto-Sivashinsky, and Ginzburg-Landau equations, and extend our study to Physics-Informed Kolmogorov-Arnold Networks (PIKANs) representation. Our findings provide insights into the effectiveness of second-order optimization strategies in improving the convergence and accurate generalization of PINNs for complex PDEs by orders of magnitude compared to the state-of-the-art.


Physics Informed Kolmogorov-Arnold Neural Networks for Dynamical Analysis via Efficent-KAN and WAV-KAN

arXiv.org Artificial Intelligence

However, traditional deep neural networks often face challenges in achieving high accuracy without incurring significant computational costs. In this work, we implement the Physics-Informed Kolmogorov-Arnold Neural Networks (PIKAN) through efficient-KAN and WAV-KAN, which utilize the Kolmogorov-Arnold representation theorem. PIKAN demonstrates superior performance compared to conventional deep neural networks, achieving the same level of accuracy with fewer layers and reduced computational overhead. We explore both B-spline and wavelet-based implementations of PIKAN and benchmark their performance across various ordinary and partial differential equations using unsupervised (data-free) and supervised (data-driven) techniques. For certain differential equations, the data-free approach suffices to find accurate solutions, while in more complex scenarios, the data-driven method enhances the PIKAN's ability to converge to the correct solution. We validate our results against numerical solutions and achieve 99% accuracy in most scenarios. I. INTRODUCTION The advent of deep learning and its use cases in solving complicated tasks related to computer vision, natural language processing, speech, etc., has led to state-of-the-art applications in industries like healthcare, finance, robotics, to name a few. Further, using deep neural networks (DNNs) in solving differential equations through Physics Informed Neural Networks (PINNs) is another breakthrough that offered a new framework for solving partial differential equations [1]. Since then the field of PINN has received a lot of attention (e.g., see review [2]) and is extended to solve fractional equations, integral-differential equations, and stochastic partial differential equations [3-5]. PINN has been developed to be more robust and accurate [6] because the original form of PINN has drawbacks [7-12], which are emanate from deep networks. Recently, a promising alternative to the traditional multilayer perceptron has been proposed: the Kolmogorov-Arnold Neural Network (KAN) [13].