TY - JOUR A1 - Schmitt, Jan A1 - Seitz, Philipp A1 - Scherdel, Christian A1 - Reichenauer, Gudrun T1 - Machine Learning in the development of Si-based anodes using Small-Angle X-ray Scattering for structural property analysis T2 - Computational Materials Science N2 - Material development processes are highly iterative and driven by the experience and intuition of the researcher. This can lead to time consuming procedures. Data-driven approaches such as Machine Learning can support decision processes with trained and validated models to predict certain output parameter. In a multifaceted process chain of material synthesis of electrochemical materials and their characterization, Machine Learning has a huge potential to shorten development processes. Based on this, the contribution presents a novel approach to utilize data derived from Small-Angle X-ray Scattering (SAXS) of SiO_2 matrix materials for battery anodes with Neural Networks. Here, we use SAXS as an intermediate, high-throughput method to characterize sol–gel based porous materials. A multi-step-method is presented where a Feed Forward Net is connected to a pretrained autoencoder to reliably map parameters of the material synthesis to the SAXS curve of the resulting material. In addition, a direct comparison shows that the prediction error of Neural Networks can be greatly reduced by training each output variable with a separate independent Neural Network. KW - machine learning KW - neural network KW - autoencoder Y1 - 2023 UR - https://opus4.kobv.de/opus4-fhws/frontdoor/index/index/docId/2234 UR - https://doi.org/10.1016/j.commatsci.2022.111984 SN - 1879-0801 N1 - Link zum Datensatz: https://gitlab.vlab.fm.fhws.de/philipp.seitz/machinelearningandsaxs VL - 218 ER -