The “Big data analytical methods for complex systems” will be held on October 19, 2023 in Wrocław, Poland. The workshop is co-organized by CASUS’ Scultetus Center and the Faculty of Mathematics and Computer Science of University of Wrocław, Poland.

This is a follow-up workshop to last October’s event. As in 2022, also this year research progress and ideas relating to methods for analyzing complex systems and big data will be presented, discussed and exchanged on. The workshop aims to intensify contacts specifically between the University of Wrocław and CASUS in the field of computer and data science as well as applied mathematics.

In addition, the workshop’s scopes include:
– Defining future funding opportunities for the joint project
– Establishing opportunities for the co-supervision of students (master and PhD)
– Establishing new scientific collaborations

The venue of the workshop is the Faculty of Mathematics and Computer Science in Wrocław, Poland. Conference language is English.


Time Topic
8:45 – 9:00 CEST

Welcome & Introduction Thomas Kühne, HZDR/CASUS, Germany, and Jerzy Marcinkowski, University of Wrocław, Poland

09:00 – 12:00 CEST

Morning session

09:00 – 09:15 CEST Thomas Kühne, CASUS/HZDR
Breaking the exaflop barrier with the CP2K code
09:15 – 09:30 CEST Tobias Dornheim, CASUS/HZDR
Understanding warm dense matter: from ab initio simulations to experiments
09:30 – 09:45 CEST Andreas Knüpfer, CASUS/HZDR
Professional support at CASUS/HZDR: computer science support & research
09:45 – 10:00 CEST

Coffee break

10:00 – 10:15 CEST Justin Calabrese, CASUS/HZDR
Gradient alignment and biodiversity shear in river networks
10:15 – 10:30 CEST Ulrik Günther, CASUS/HZDR
Applications of XR in biology
10:30 – 10:45 CEST Michael Hecht, CASUS/HZDR
Global polynomial level sets for numerical differential geometry of smooth closed surfaces
10:45 – 11:00 CEST Agnieszka Kuc, CASUS/HZDR
Two-dimensional materials for emerging applications in materials science
11:00 – 11:15 CEST Attila Cangi, CASUS/HZDR
Machine learning meets quantum mechanics for materials
11:15 – 11:30 CEST Artur Yakimovich, CASUS/HZDR
Label-efficient Deep Learning for Infection Detection in Microscopy
11:30 – 11:45 CEST Adrian Urbański, CASUS/HZDR
Label-efficient machine learning algorithms for the clinical diagnostics of urinary tract infections
11:45 – 12:00 CEST Bartosz Brzoza, CASUS/HZDR
Accelerating density functional theory calculations on hydrogen molecules with SE(3)-equivariant graph neural networks
12:00 – 13:00 CEST


13:00 – 15:00 CEST

Afternoon session

13:00 – 13:15 CEST Ricardo Martínez-García, CASUS/HZDR
The potential of AI in ecosystem management: drylands as a case study
13:15 – 13:30 CEST Michał Stypułkowski, University of Wrocław
Talking head generation using diffusion generative models
13:30 – 13:45 CEST Piotr Lipiński, University of Wrocław
Discovering hidden interests in recommender systems
13:45 – 14:00 CEST Małgorzata Bogdan, University of Wrocław
Sorted L-One penalized estimator for graphical models and large concentration matrices
14:00 – 14:15 CEST Klaudia Balcer, University of Wrocław
Can we explain what is hidden? SSM in XAI
14:15 – 14:30 CEST Michał Kowalczykiewicz, University of Wrocław
Snippet embeddings in evolutionary source code generation
14:30 – 14:45 CEST Justyna Stańczyk, Wrocław University of Environmental and Life Sciences
AI/ML in human activity recognition based on individual water consumption
14:45 – 15:00 CEST Mateusz Staniak, University of Wrocław
MSstats: acquiring knowledge from large proteomic mass-spectrometry data
15:00 – 15:15 CEST Krystyna Grzesiak, University of Wrocław
Imputomics: comprehensive missing value imputation for metabolomics data
15:15 – 15:30 CEST

Coffee break

15:30 – 16:45 CEST

Poster session and networking