ICAMS / Interdisciplinary Centre for Advanced Materials Simulation

Data Mining and Statistical Analysis

Irina Roslyakova

The group works on the development of data mining strategies and their application to analysis and interpretation of materials data. Due to the high complexity and heterogeneity of materials data, we focus mainly on three key goals:

  • the establishment of a well-organized data infrastructure for storage of experimental data and simulation results,
  • the development of robust physics-based models of materials properties,
  • the application of data mining tools to identify statistically sound correlations between materials chemistry, microstructure and mechanical data.

Moreover, a combination of this modelling technique and the application of statistical design of experiments allow to reduce the number of experimental trials required for the development of new materials and processes.

Group members in January 2019.

Group Members



  • Data mining and machine learning
  • Automation of data processing
  • Physics-based models
  • Design of experiments
  • Third generation CALPHAD databases: mathematical aspects

Recent publications

A. Müller, I. Roslyakova, M. Sprenger, P. Git et al. MultOpt++: a fast regression-based model for the development of compositions with high robustness against scatter of element concentrations Modelling and Simulation in Materials Science and Engineering, IOP Publishing, 27, 1-18, (2019)

A. Obaied. Application of machine learning for thermo-physical properties of transition metals Master Thesis, Ruhr-Universität Bochum (2018)

J. Yuxun, S. Zomorodpoosh, I. Roslyakova, L. Zhang. Thermodynamic re-assessment of binary Cr-Nb system down to 0 K CALPHAD, Elsevier Ltd., 62, 109-118, (2018)

M. Almodallaleh. Anwendungen von automatisierter Datenverarbeitung auf Doppelscherversuche von Nickelbasissuperlegierung Master Thesis, Ruhr-University Bochum (2018)

I. Roslyakova. Modeling thermodynamical properties by segmented non-linear regression PhD Thesis, ICAMS, Ruhr-Universität Bochum (2017)


Dr. Irina Roslyakova
Department of Scale Bridging Thermodynamic and Kinetic Simulation
Ruhr-Universität Bochum
44780 Bochum

Tel: +49 234 32 22605
Fax: +49 234 32 14989

Email: irina.roslyakova@rub.de

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