16:30 - 18:20 | Introduction | Luca Ghiringhelli (Humboldt-Universität zu Berlin) |
18:20 - 18:40 | Coffee Break | |
18:40 - 20:30 | Learning Decision Trees and Random Forests | Jilles Vreeken (CISPA Helmholtz Center for Information Security ) |
21:00: Dinner and Discussion
09:00 - 10:50 | Introduction to Neural Networks | Pawan Goyal (MPI for Dynamics of Complex Technical Systems) |
10:50 - 11:10 | Coffee Break | |
11:10 - 13:00 | Variational Autoencoders and GANS | Andreas Leitherer (The NOMAD Laboratory) |
13:00-14:00: Lunch
14:00 - 15:50 | Design of Experiments and Global Optimization | William J. Welch (University of British Columbia) |
15:50 - 16:10 | Coffee Break | |
16:10 - 18:00 | Bayesian Optimization | Milica Todorović (University of Turku) |
18:00-18:30 | What's in the Box? Explaining the Inner Life of Neural Networks using Patterns and Rules | Jilles Vreeken (CISPA Helmholtz Center for Information Security) |
18:45 - 20:00 |
Active Learning with Bayesian Optimisation |
Milica Todorović (University of Turku) |
21:00: Dinner and Discussions
09:00 - 10:50 | Gaussian approximation potentials: (some) theory, practice and applications | Miguel Caro (Aalto University) |
10:50 - 11:10 | Coffee Break | |
11:10 - 13:00 | Neural Network Potentials | Boris Kozinsky (Harvard University) |
13:00-14:00: Lunch
14:00 - 15:50 | An Introduction to Symbolic Regression | Thomas Purcell (The NOMAD Laboratory) |
15:50 - 16:10 | Coffee Break | |
16:10 - 18:00 | Subgroup Discovery | Lucas Foppa (The NOMAD Laboratory) |
18:15-19:30 | Symbolic Regression Tutorials | Thomas Purcell (The NOMAD Laboratory) |
21:00: Dinner and Discussions
BiGMax Grand Finale Workshop
09:00 - 10:50 | Accelerating structural search with reinforcement learning | Bjørk Hammer (Aarhus University) |
10:50 - 11:10 | Coffee Break | |
11:10 - 13:00 | AI Approaches for Tackling Noisy Experimental Data | Christoph Koch (Humboldt-Universität zu Berlin) |
13:00-14:00: Lunch
Dierk Raabe (MPI for Iron Research) will give the after dinner talk
10:00 - 10:10 | Welcome and Introduction | Peter Benner and Matthias Scheffler |
10:10 - 10:40 | First principles machine learning: from functionals to coarse grained dynamics | Boris Kozinsky (Harvard University) |
10:40 - 11:00 | Coffee Break | |
11:00 - 11:30 | Identifying materials genes of properties and functions via AI | Lucas Foppa (The NOMAD Laboratory) |
11:30 - 12:00 |
Deep neural networks trained with synthetic Hamilton matrices for non-linear photon interaction in atoms and molecules |
Jan Michael Rost (MPI for the Physics of Complex Systems) |
12:00 - 12:30 | Surrogate Models for Complex Dynamical Processes using Deep Learning | Pawan Goyal (MPI for Dynamics of Complex Technical Systems) |
13:00 - 14:30 Lunch
14:30 - 15:00 | Equation and pattern discovery in soft matter | Tristan Bereau (University of Amsterdam) |
15:00 - 15:30 | Overview of the progress in atom probe tomography enabled by machine-learning | Babtiste Gault (MPI for Iron Research) |
15:30 - 16:00 | Coffee Break | |
16:00 - 16:30 |
Accelerating the High-Throughput Search for new Thermal Insulators |
Thomas Purcell (The NOMAD Laboratory) |
16:30 - 17:00 | Open source analysis of large-scale and multidimensional 4D-STEM data | Christian Liebscher (MPI for Iron Research) |
17:00 - 17:30 | Imaging of complex biological materials | Peter Fratzl (MPI of Colloids and Interfaces) |
21:00: Dinner and Discussions
09:30 - 10:00 | Pattern discovery and quantification in experimental data from scanning transmission electron microscopy and atom probe tomography | Christoph Freysoldt (MPI for Iron Research) |
10:00 - 10:30 | Exascale Computing in Europe and Worldwide - Status & Plans | Erwin Laure (MP Computing and Data Facility) |
10:30 - 11:00 | Coffee Break | |
11:00 - 11:30 | Exploring large data spaces | Claudia Draxl (Humboldt-Universität zu Berlin) |
11:30 | Final Words | Peter Benner and Matthias Scheffler |