Jorge F. Urbán

Jorge F. Urbán, Petros Stefanou, José A. Pons

This study investigates the potential accuracy boundaries of physics-informed neural networks, contrasting their approach with previous similar works and traditional numerical methods. We find that selecting improved optimization algorithms significantly enhances the accuracy of the results. Simple modifications to the loss function may also improve precision, offering an additional avenue for enhancement. Despite optimization algorithms having a greater impact on convergence than adjustments to the loss function, practical considerations often favor tweaking the latter due to ease of implementation. On a global scale, the integration of an enhanced optimizer and a marginally adjusted loss function enables a reduction in the loss function by several orders of magnitude across diverse physical problems. Consequently, our results obtained using compact networks (typically comprising 2 or 3 layers of 20-30 neurons) achieve accuracies comparable to finite difference schemes employing thousands of grid points. This study encourages the continued advancement of PINNs and associated optimization techniques for broader applications across various fields.

Elham Kiyani, Khemraj Shukla, Jorge F. Urbán et al.

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. More recently, physics-informed Kolmogorv-Arnold networks (PIKANs) have also shown to be effective and comparable in accuracy with PINNs. In their current implementation, both PINNs and PIKANs 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 BFGS (SSBFGS), Self-Scaled Broyden (SSBroyden) methods and other advanced quasi-Newton schemes, including BFGS and L-BFGS with different line search strategies. These methods dynamically rescale updates based on historical gradient information, thus enhancing training efficiency and accuracy. We systematically compare these optimizers using both PINNs and PIKANs on key challenging PDEs, including the Burgers, Allen-Cahn, Kuramoto-Sivashinsky, Ginzburg-Landau, and Stokes equations. Additionally, we evaluate the performance of SSBFGS and SSBroyden for Deep Operator Network (DeepONet) architectures, demonstrating their effectiveness for data-driven operator learning. Our findings provide state-of-the-art results with orders-of-magnitude accuracy improvements without the use of adaptive weights or any other enhancements typically employed in PINNs.