Muon with Spectral Guidance: Efficient Optimization for Scientific Machine Learning

Physics-informed neural networks and neural operators often suffer from severe optimization difficulties caused by ill-conditioned gradients, multi-scale spectral behavior, and stiffness induced by physical constraints. Recently, the Muon optimizer has shown promise by performing orthogonalized updates in the singular-vector basis of the gradient, thereby improving geometric conditioning. However, its unit-singular-value updates may lead to overly aggressive steps and lack explicit stability guarantees when applied to physics-informed learning. In this work, we propose SpecMuon, a spectral-aware optimizer that integrates Muon's orthogonalized geometry with a mode-wise relaxed scalar auxiliary variable (RSAV) mechanism. By decomposing matrix-valued gradients into singular modes and applying RSAV updates individually along dominant spectral directions, SpecMuon adaptively regulates step sizes according to the global loss energy while preserving Muon's scale-balancing properties. This formulation interprets optimization as a multi-mode gradient flow and enables principled control of stiff spectral components. We establish rigorous theoretical properties of SpecMuon, including a modified energy dissipation law, positivity and boundedness of auxiliary variables, and global convergence with a linear rate under the Polyak-Lojasiewicz condition. Numerical experiments on physics-informed neural networks, DeepONets, and fractional PINN-DeepONets demonstrate that SpecMuon achieves faster convergence and improved stability compared with Adam, AdamW, and the original Muon optimizer on benchmark problems such as the one-dimensional Burgers equation and fractional partial differential equations.

Neural-POD: A Plug-and-Play Neural Operator Framework for Infinite-Dimensional Functional Nonlinear Proper Orthogonal Decomposition

The rapid development of AI for Science is often hindered by the "discretization", where learned representations remain restricted to the specific grids or resolutions used during training. We propose the Neural Proper Orthogonal Decomposition (Neural-POD), a plug-and-play neural operator framework that constructs nonlinear, orthogonal basis functions in infinite-dimensional space using neural networks. Unlike the classical Proper Orthogonal Decomposition (POD), which is limited to linear subspace approximations obtained through singular value decomposition (SVD), Neural-POD formulates basis construction as a sequence of residual minimization problems solved through neural network training. Each basis function is obtained by learning to represent the remaining structure in the data, following a process analogous to Gram--Schmidt orthogonalization. This neural formulation introduces several key advantages over classical POD: it enables optimization in arbitrary norms (e.g., $L^2$, $L^1$), learns mappings between infinite-dimensional function spaces that is resolution-invariant, generalizes effectively to unseen parameter regimes, and inherently captures nonlinear structures in complex spatiotemporal systems. The resulting basis functions are interpretable, reusable, and enabling integration into both reduced order modeling (ROM) and operator learning frameworks such as deep operator learning (DeepONet). We demonstrate the robustness of Neural-POD with different complex spatiotemporal systems, including the Burgers' and Navier-Stokes equations. We further show that Neural-POD serves as a high performance, plug-and-play bridge between classical Galerkin projection and operator learning that enables consistent integration with both projection-based reduced order models and DeepONet frameworks.

NSGA-PINN: A Multi-Objective Optimization Method for Physics-Informed Neural Network Training

This paper presents NSGA-PINN, a multi-objective optimization framework for effective training of Physics-Informed Neural Networks (PINNs). The proposed framework uses the Non-dominated Sorting Genetic Algorithm (NSGA-II) to enable traditional stochastic gradient optimization algorithms (e.g., ADAM) to escape local minima effectively. Additionally, the NSGA-II algorithm enables satisfying the initial and boundary conditions encoded into the loss function during physics-informed training precisely. We demonstrate the effectiveness of our framework by applying NSGA-PINN to several ordinary and partial differential equation problems. In particular, we show that the proposed framework can handle challenging inverse problems with noisy data.