Automated matching of two-time X-ray photon correlation maps from protein dynamics with Cahn-Hilliard type simulations using autoencoder networks

التفاصيل البيبلوغرافية
العنوان: Automated matching of two-time X-ray photon correlation maps from protein dynamics with Cahn-Hilliard type simulations using autoencoder networks
المؤلفون: Timmermann, S., Starostin, V., Girelli, A., Ragulskaya, A., Rahmann, H., Reiser, M., Begam, N., Randolph, L., Sprung, M., Westermeier, F., Zhang, F., Schreiber, F., Gutt, C.
سنة النشر: 2021
المجموعة: Condensed Matter
مصطلحات موضوعية: Condensed Matter - Soft Condensed Matter, Condensed Matter - Materials Science
الوصف: We use machine learning methods for an automated classification of experimental XPCS two-time correlation functions from an arrested liquid-liquid phase separation of a protein solution. We couple simulations based on the Cahn-Hilliard equation with a glass transition scenario and classify the measured correlation maps automatically according to quench depth and critical concentration at a glass/gel transition. We introduce routines and methodologies using an autoencoder network and a differential evolution based algorithm for classification of the measured correlation functions. The here presented method is a first step towards handling large amounts of dynamic data measured at high brilliance synchrotron and X-ray free-electron laser sources facilitating fast comparison to phase field models of phase separation.
نوع الوثيقة: Working Paper
URL الوصول: http://arxiv.org/abs/2106.11787
رقم الأكسشن: edsarx.2106.11787
قاعدة البيانات: arXiv