Predicting Wave Reflection and Transmission in Heterogeneous Media via Fourier Operator-Based Transformer Modeling

Machine learning surrogates based on neural operators have shown broad applicability in solving forward PDE problems. However, eigenvalue problems, in which an eigenparameter and one of several valid eigenmodes must be simultaneously solved, remain difficult because standard operator learning formulations assume a unique input-output map. This work demonstrates that Fourier Neural Operators (FNOs), combined with wavelet-based encodings of PDE inputs, can learn and predict multiple eigenmodes of the elastic wave equation, corresponding to deformation modes of acoustic waves propagating through arbitrary metamaterial geometries. We provide a mechanistic explanation and experimental evidence for why wavelet encodings are well matched to the dual spatial-spectral structure of the FNO, enabling deterministic mode selection on both continuous-valued and binary-valued geometries within a single model, and for why prediction accuracy varies with geometric discontinuities. For metamaterial design, the resulting surrogate accelerates the simulation stage of the design cycle by three orders of magnitude relative to finite element analysis on a consumer-grade CPU, while preserving high fidelity. These results also carry broader implications for designing input encodings in other multi-mode PDE solvers based on spectral neural operators.

Neural surrogates provide computationally efficient auto-regressive modeling of wave propagation, enabling e.g. fast inverse solutions. Despite recent progress, the current surrogates are not yet sufficient for the needs of ultrasonic sensing, characterized by high frequency and heterogeneous propagation media. We show how methods building on Fourier Neural Operators (FNO) fail to capture essential signal features, such as reflections, whereas U-Net -based methods learn the wave fields well but lack the ability to transfer information across different spatial scales. We then propose a new surrogate that captures the best of the two worlds, by integrating FNOs and local-integral resampling into a U-Net architecture. We show it can be trained on limited data, and that the predictions are robust to input noise and work across spatial scales.

Wave equations are fundamental to describing a vast array of physical phenomena, yet their simulation in inhomogeneous media poses a computational challenge due to the highly oscillatory nature of the solutions. To overcome the high costs of traditional solvers, we propose the Windowed Fourier Propagator (WFP), a novel neural operator that efficiently learns the solution operator. The WFP's design is rooted in the physical principle of frequency locality, where wave energy scatters primarily to adjacent frequencies. By learning a set of compact, localized propagators, each mapping an input frequency to a small window of outputs, our method avoids the complexity of dense interaction models and achieves computational efficiency. Another key feature is the explicit preservation of superposition, which enables remarkable generalization from simple training data (e.g., plane waves) to arbitrary, complex wave states. We demonstrate that the WFP provides an explainable, efficient and accurate framework for data-driven wave modeling in complex media.