Research Scope

Machine Learning for Simulation Science

Visit the links below to get to know the doctoral research currently being developed at MLS. Our list gets updated regularly, so please check it again in the near future to see new information.

This page is a work in progress. Please check it regularly for more content on our thesis topics.

Theory and Methods

Robust, Data-Efficient, and Discrete-Continuous Learning

  • Combining discrete probability and Deep Learning
  • Explainable AI
  • ML and combinatorial optimization
  • ML as surrogate models

(Geometric) Deep Learning

  • Graph Neural networks
  • ML for multi-modal data
  • ML for Spatio-temporal data, simulations, PDEs
  • Equivariant NNS


  • ML for Molecules
  • ML for Physical Systems
  • ML for (Bio-) Medical Applications
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