Demonstration of an AI-driven workflow for dynamic x-ray spectroscopy

X-ray absorption near edge structure (XANES) spectroscopy is a powerful technique for characterizing the chemical state and symmetry of individual elements within materials, but requires collecting data at many energy points which can be time-consuming. While adaptive sampling methods exist for efficiently collecting spectroscopic data, they often lack domain-specific knowledge about XANES spectra structure. Here we demonstrate a knowledge-injected Bayesian optimization approach for adaptive XANES data collection that incorporates understanding of spectral features like absorption edges and pre-edge peaks. We show this method accurately reconstructs the absorption edge of XANES spectra using only 15-20% of the measurement points typically needed for conventional sampling, while maintaining the ability to determine the x-ray energy of the sharp peak after absorption edge with errors less than 0.03 eV, the absorption edge with errors less than 0.1 eV; and overall root-mean-square errors less than 0.005 compared to compared to traditionally sampled spectra. Our experiments on battery materials and catalysts demonstrate the method's effectiveness for both static and dynamic XANES measurements, improving data collection efficiency and enabling better time resolution for tracking chemical changes. This approach advances the degree of automation in XANES experiments reducing the common errors of under- or over-sampling points in near the absorption edge and enabling dynamic experiments that require high temporal resolution or limited measurement time.

A Signature Based Approach Towards Global Channel Charting with Ultra Low Complexity

Channel charting, an unsupervised learning method that learns a low-dimensional representation from channel information to preserve geometrical property of physical space of user equipments (UEs), has drawn many attentions from both academic and industrial communities, because it can facilitate many downstream tasks, such as indoor localization, UE handover, beam management, and so on. However, many previous works mainly focus on charting that only preserves local geometry and use raw channel information to learn the chart, which do not consider the global geometry and are often computationally intensive and very time-consuming. Therefore, in this paper, a novel signature based approach for global channel charting with ultra low complexity is proposed. By using an iterated-integral based method called signature transform, a compact feature map and a novel distance metric are proposed, which enable channel charting with ultra low complexity and preserving both local and global geometry. We demonstrate the efficacy of our method using synthetic and open-source real-field datasets.