Reduced order models for spectral domain inversion: Embedding into the continuous problem and generation of internal data

TL;DR

This paper develops data-driven reduced order models for spectral domain inversion of Schrödinger equations, enabling accurate internal solution approximation from boundary data and facilitating potential extraction in multiple dimensions.

Contribution

It introduces a novel ROM construction using orthogonal basis transformations that improve potential extraction and internal solution accuracy in spectral domain inversion.

Findings

ROMs accurately approximate internal solutions from boundary data

Orthogonal basis transformation simplifies potential extraction

Method effective in both 1D and 2D Schrödinger problems

Abstract

We generate data-driven reduced order models (ROMs) for inversion of the one and two dimensional Schr\"odinger equation in the spectral domain given boundary data at a few frequencies. The ROM is the Galerkin projection of the Schr\"odinger operator onto the space spanned by solutions at these sample frequencies. The ROM matrix is in general full, and not good for extracting the potential. However, using an orthogonal change of basis via Lanczos iteration, we can transform the ROM to a block triadiagonal form from which it is easier to extract $q$. In one dimension, the tridiagonal matrix corresponds to a three-point staggered finite-difference system for the Schr\"odinger operator discretized on a so-called spectrally matched grid which is almost independent of the medium. In higher dimensions, the orthogonalized basis functions play the role of the grid steps. The orthogonalized basis functions are localized and also depend only very weakly on the medium, and thus by embedding into the continuous problem, the reduced order model yields highly accurate internal solutions. That is to say, we can obtain, just from boundary data, very good approximations of the solution of the Schr\"odinger equation in the whole domain for a spectral interval that includes the sample frequencies. We present inversion experiments based on the internal solutions in one and two dimensions.