Andi Barbour

Tatiana Konstantinova, Lutz Wiegart, Maksim Rakitin et al.

Analysis of X-ray Photon Correlation Spectroscopy (XPCS) data for non-equilibrium dynamics often requires manual binning of age regions of an intensity-intensity correlation function. This leads to a loss of temporal resolution and accumulation of systematic error for the parameters quantifying the dynamics, especially in cases with considerable noise. Moreover, the experiments with high data collection rates create the need for automated online analysis, where manual binning is not possible. Here, we integrate a denoising autoencoder model into algorithms for analysis of non-equilibrium two-time intensity-intensity correlation functions. The model can be applied to an input of an arbitrary size. Noise reduction allows to extract the parameters that characterize the sample dynamics with temporal resolution limited only by frame rates. Not only does it improve the quantitative usage of the data, but it also creates the potential for automating the analytical workflow. Various approaches for uncertainty quantification and extension of the model for anomalies detection are discussed.

Tatiana Konstantinova, Phillip M. Maffettone, Bruce Ravel et al.

Imaging, scattering, and spectroscopy are fundamental in understanding and discovering new functional materials. Contemporary innovations in automation and experimental techniques have led to these measurements being performed much faster and with higher resolution, thus producing vast amounts of data for analysis. These innovations are particularly pronounced at user facilities and synchrotron light sources. Machine learning (ML) methods are regularly developed to process and interpret large datasets in real-time with measurements. However, there remain conceptual barriers to entry for the facility general user community, whom often lack expertise in ML, and technical barriers for deploying ML models. Herein, we demonstrate a variety of archetypal ML models for on-the-fly analysis at multiple beamlines at the National Synchrotron Light Source II (NSLS-II). We describe these examples instructively, with a focus on integrating the models into existing experimental workflows, such that the reader can easily include their own ML techniques into experiments at NSLS-II or facilities with a common infrastructure. The framework presented here shows how with little effort, diverse ML models operate in conjunction with feedback loops via integration into the existing Bluesky Suite for experimental orchestration and data management.