The “Big data analytical methods for complex systems” will be held on October 6-7, 2022 in Wrocław, Poland. The workshop is co-organized by the Center for Advanced Systems Understanding (CASUS) at Helmholtz-Zentrum Dresden-Rossendorf and the University of Wrocław, Poland.

The workshop will provide an international audience to present, discuss and exchange on research progress and ideas relating to methods for analyzing complex systems and big data. It will bring together students and researchers to explore how methodologies from computer science, data science and artificial intelligence can be applied to a wide range of research topics, from fundamental physics to ecology to biology and medicine.

The primary goal of this workshop is to increase the scope and intensity of scientific and educational cooperation between partner institutions. Furthermore, the purpose of the workshop is to enable implementation of student’s projects in interdisciplinary and international research teams from Polish and German institutions.

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

Confirmed Invited Speakers

Jerzy Marcinkowski, University of Wrocław, Poland
Michael Bussmann, CASUS/HZDR, Germany
Grzegorz Karch, University of Wrocław, Poland
Malgorzata Bogdan, University of Wrocław, Poland
Marcin Bieńkowski, University of Wrocław, Poland
Paweł Rychlikowski, University of Wrocław, Poland
Justin Calabrese, CASUS/HZDR, Germany
Artur Yakimovich, CASUS/HZDR, Germany
Michael Hecht, CASUS/HZDR, Germany
Attila Cangi, CASUS/HZDR, Germany
Tobias Dornheim, CASUS/HZDR, Germany
Tyll Krüger, Wrocław University of Science and Technology
Witold Rohm, Wrocław University of Environmental and Life Sciences
Krzysztof Graczyk, University of Wrocław, Poland
Marek Adamczyk, University of Wrocław, Poland
Piotr Wnuk-Lipiński, University of Wrocław, Poland

Program

Please download the full program here.

Day Time Topic
Thursday, October 6, 2022 9:15 – 9:30 CET

Introduction Tomasz Jurdziński, University of Wrocław, Poland

9:30 – 9:45 CET Jerzy Marcinkowski, University of Wrocław, Poland
9:45 – 10:00 CET Michael Bussmann, HZDR/ CASUS, Germany
10:00 – 11:00 CET

Morning Session, Chair: Attila Cangi

10:00 – 10:20 CET Grzegorz Karch, University of Wrocław, Poland
From biology and models of carcinogenesis to mathematical theorems
10:20 – 10:40 CET Małgorzata Bogdan, University of Wrocław, Poland
Statistical learning at UWr
10:40 – 11:00 CET Marcin Bieńkowski, University of Wrocław, Poland
Network optimization
11:00 – 11:20 CET Paweł Rychlikowski, University of Wrocław, Poland
Discovering the structure: unsupervised methods in speech recognition
11:20 – 11:50 CET

Coffee break

11:50 – 13:10 CET

Midday session, Chair: Leszek Pacholski

11:50 – 12:10 CET Justin Calabrese, HZDR/CASUS, Germany
Animal movement research as a cross-cutting theme at CASUS
12:10 – 12:30 CET Artur Yakimovich, HZDR/CASUS, Germany
Machine learning in biomedical images to study infection and disease
12:30 – 12:50 CET Michael Hecht, HZDR/CASUS, Germany
minterpy – Multivariate Interpolation in Python
12:50 – 13:10 CET Attila Cangi, HZDR/CASUS, Germany
Physics-informed and data-driven modeling of matter under extreme conditions
13:10 – 14:40 CET

Lunch

14:40 – 15:40 CET

Afternoon Session, Chair: Justin Calabrese

14:40 – 15:00 CET Tobias Dornheim, HZDR/CASUS, Germany
Frontiers of computational quantum many-body theory
15:00 – 15:20 CET Tyll Krüger, Wrocław Univeristy of Science and  Technology
15:20 – 15:40 CET Witold Rohm, Wrocław University of Environmental and Life Sciences
Future GNSS troposphere remote sensing, next Big Data for weather forecasting?
15:40  – 16:10 CET

Coffee break

16:10 – 17:30 CET

Poster session

19:00 CET

Workshop dinner

Friday, October 7, 2022 9:00 – 10:20 CET

Morning Session, Chair: Michael Bussmann

9:00 – 9:20 CET Krzysztof Graczyk, University of Wrocław, Poland
Predicting porous medium properties by deep neural network
9:20 – 9:40 CET Marek Adamczyk, University of Wrocław, Poland
How to price Uber fares using submodularity
9:40 – 10:00 CET Piotr Wnuk-Lipiński, University of Wrocław, Poland
Computational intelligence in mining temporal data with hidden structure discovering
10:00 – 10:20 CET Grzegorz Wyłupek, University of Wrocław, Poland
Nonparametric tests for selected testing problems with applications
10:20 – 11:20 CET

Student talks, Chair: Jarek Byrka

10:20 – 10:30 CET Krystyna Grzesiak, University of Wrocław, Poland
A novel semiparametric model for hydrogen deuterium exchange monitored by mass spectrometry data
10:30 – 10:40 CET Mateusz Staniak, University of Wrocław, Poland
Statistical methods for protein quantification based on mass spectorometry data with shared peptides
10:40 – 10:50 CET Rodrigo Cofre, University of Wrocław, Poland
Regularization methods for gene identification
10:50 – 11:00 CET Maciej Grabias, University of Wrocław, Poland
Classification with imbalanced data: Predicting instances of severe knee and back pain
11:00 – 11:10 CET Kamil Smolak, Wrocław University of Environmental and Life Sciences
Explaining predictability of human movement trajectories through the sequence matching algorithms
11:10 – 11:20 CET Bartosz Chmiela, University of Wrocław, Poland
Locally-informed proposals in Metropolis-Hastings algorithm with applications
11:30 – 12:30 CET

Round table discussions with Coffee break

12:30 – 13:30 CET

Lunch

13:30 – 14:00 CET Scientific speed dating
14:00 – 14:30 CET

Closing remarks

Abstracts

The book of abstracts can be downloaded here.

Scientist profiles

The complete list of profiles can be downloaded here.

Michael Bussmann, CASUS/HZDR, Germany


Research Topics
Plasma physics, accelerator physics, high-energy-density physics, cancer therapy, ML, HPC, in-transit large scale data analytics
Current position
Scientific Head CASUS, Topic Lead Data Management & Analysis in the Helmholtz Research Field Matter
Research  methodology
Application of HPC and ML to large-scale forward and inverse problems in physics, scalable data analytics on federated data
Selected publications
H Burau, et al., IEEE Transactions on Plasma Science 38 (10), 2831-2839
E Zenker, et al., 2016 IEEE International Parallel and Distributed Processing Symposium Workshops (IPDPSW), 631-640
P Stiller, et al., 2020 Smoky Mountains Computational Sciences and Engineering Conference, 20-34
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Małgorzata Bogdan, University of Wrocław, Poland


Research Topics
Mathematical Statistics
Statistical Learning
Analysis of Large Data Sets: Theoretical Foundations, Development of new algorithms, Applications in Medicine, Genetics, Astronomy and Finance
Current position
Professor
Research  methodology
Asymptotic Statistics, Bayesian Statistics, Optimization Algorithms
Selected publications
M Bogdan, E Van Den Berg, C Sabatti, W Su, EJ Candès, SLOPE—adaptive variable selection via convex optimization, The Annals of applied statistics 9 (3), 1103-1140.
W Su, M Bogdan, E Candes, False discoveries occur early on the lasso path, The Annals of statistics, 2133-2150
D Brzyski, CB Peterson, P Sobczyk, EJ Candès, M Bogdan, C Sabatti, Controlling the rate of GWAS false discoveries, Genetics 205 (1), 61-75
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Marcin Bieńkowski, University of Wrocław, Poland


Research Topics
Online and approximation algorithms, from a theory viewpoint but with a special focus on applications in networking and operations research.
Current position
Associate professor in Combinatorial Optimization Group
Research  methodology
Competitive analysis, linear programming, analysis of algorithms complexity
Selected publications
M. Bienkowski, A. Kraska, H.-H. Liu: Traveling Repairperson, Unrelated Machines, and Other Stories About Average Completion Times. ICALP 2021
M. Bienkowski, J. Byrka, C. Coester, Ł. Jeż: Unbounded lower bound for k-server against weak adversaries. STOC 2020
M. Bienkowski, J. Byrka, M. Mucha: Dynamic Beats Fixed: On Phase-based Algorithms for File Migration. ACM Trans. Algorithms (2019)
M. Bienkowski, N. Sarrar, S. Schmid, S. Uhlig: Online Aggregation of the Forwarding Information Base: Accounting for Locality and Churn. IEEE/ACM Trans. Netw. (2018)
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Paweł Rychlikowski, University of Wrocław, Poland


Research Topics
Natural language processing, Speech recognition, Information retrieval
Current position
Assistant professor
Research  methodology
Applying machine learning techniques to different problems, combining ML/DL approaches with more traditional methods
Selected publications
https://dblp.org/pid/39/2666.html
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Justin Calabrese, CASUS/HZDR, Germany


Research Topics 
Quantitative ecology; Animal movement; Data science/statistics; Epidemiology
Current position
Research Group Leader, Earth System Science
Research methodology
Statistical methods and software development, statistics for autocorrelated data, process-based modeling, nonlinear optimization
Selected publications
Silva, I., Fleming, C. H., Noonan, M. J., Alston, J., Folta, C., Fagan, W. F., & Calabrese, J. M. (2022). Autocorrelation‐informed home range estimation: A review and practical guide. Methods in Ecology and Evolution, 13(3), 534-544.
Calabrese, J. M., & Demers, J. (2022). How optimal allocation of limited testing capacity changes epidemic dynamics. Journal of Theoretical Biology, 538, 111017.
Calabrese, J. M., Fleming, C. H., Noonan, M. J., & Dong, X. (2021). ctmmweb: A graphical user interface for autocorrelation‐informed home range estimation. Wildlife Society Bulletin, 45(1), 162-169.
Dormann, C. F., Calabrese, J. M., Guillera‐Arroita, G., Matechou, E., Bahn, V., Bartoń, K., … & Hartig, F. (2018). Model averaging in ecology: A review of Bayesian, information‐theoretic, and tactical approaches for predictive inference. Ecological Monographs, 88(4), 485-504.
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Artur Yakimovich, CASUS/HZDR, Germany


Research Topics
Machine Learning and Deep Learning
Infection Biology
Biomedical Images
Current position
Young Investigator Group Leader
Research methodology
Deep Learning with Microscopy and Multi-modal datasets
Selected publications
Galimov, Evgeniy, and Artur Yakimovich. “A tandem segmentation-classification approach for the localization of morphological predictors of C. elegans lifespan and motility.” Aging (Albany NY) 14.4 (2022): 1665.
Yakimovich, Artur, et al. “Infectio: a generic framework for computational simulation of virus transmission between cells.” Msphere 1.1 (2016): e00078-15.
Beerli, Corina, et al. “Vaccinia virus hijacks EGFR signalling to enhance virus spread through rapid and directed infected cell motility.” Nature microbiology 4.2 (2019): 216-225.
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Michael Hecht, CASUS/HZDR, Germany


Research Topics
Multivariate Interpolation and Approximation Theory
Variational PDE Solvers on Complex Geometries
Non-linear Black Box Optimization
Graph Theory and Network Dynamics
Current position
Young Investigator Group Leader
Mathematical Foundations of Complex System Science, CASUS
Research methodology
Applied Mathematics and Numerics
Selected publications
Multivariate Interpolation in Non-Tensorial Nodes Lifts the Curse of Dimensionality for Trefethen Functions,Michael Hecht, Krzysztof Gonciarz, Jannik Michelfeit, Vladimir Sivkin and Ivo F. Sbalzarini, (in review) IMA Journal of Numerical Analysis, 2022
Fast interpolation and Fourier transform in high-dimensional spaces.
M. Hecht and I. F. Sbalzarini (2018). In Intelligent Computing. Proc. 2018 IEEE Computing Conf., Vol. 2, volume 857 of Advances in Intelligent Systems and Computing, pages 53–75, London, UK, Springer Nature
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Attila Cangi, CASUS/HZDR, Germany


Research Topics
High-energy-density physics, Electronic structure theory, Computational physics, Machine Learning
Current position
Research Group Leader
Research methodology
Methods development in electronic structure theory (density functional theory), Software development for multiscale modeling of materials including machine learning (Gaussian processes, neural networks), optimization, automated and reproducible computational workflows.
Selected publications
J. A. Ellis, L. Fiedler, G. A. Popoola, N. A. Modine, J. A. Stephens, A. P. Thompson, A. Cangi, and S. Rajamanickam, Accelerating finite-temperature Kohn-Sham density functional theory with deep neural networks, Phys. Rev. B 104, 035120 (2021).
Nikolov, S., Wood, M.A., Cangi, A. et al. Data-driven magneto-elastic predictions with scalable classical spin-lattice dynamics. npj Comput Mater 7, 153 (2021).
L. Fiedler, N. Hoffmann, P. Mohammed, G. A. Popoola, T. Yovell, V. Oles, J. A. Ellis, S. Rajamanickam, A. Cangi, Training-free hyperparameter optimization of neural networks for electronic structures in matter, arXiv:2202.09186 (2022).
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Tobias Dornheim, CASUS/HZDR, Germany


Research Topics 
Computational physics and high performance computing
Warm dense matter
Quantum many-body simulation
Current position
Young Investigator Group Leader
Research methodology
Method development (Quantum Monte Carlo, Density Functional Theory, …) and application
Selected publications
T. Dornheim et al., The Uniform Electron Gas at Warm Dense Matter Conditions, Physics Reports 744, 1-86 (2018)
T. Dornheim et al., Ab initio Path Integral Monte Carlo Results for the Dynamic Structure Factor of Correlated Electrons, Phys. Rev. Lett. 121, 255001 (2018),
T. Dornheim et al., Effective static approximation: A fast and reliable tool for warm-dense matter theory, Phys. Rev. Lett. 125, 235001 (2020)
T. Dornheim et al., Accurate temperature diagnostics for matter under extreme conditions, Nature Comm. (submitted), arXiv:2206.12805

Marek Adamczyk, University of Wrocław, Poland


Research Topics
Problems on which I focus in my research are combinatorial in nature but come from the context of stochastic optimization, online optimization, mechanism design, algorithmic game theory and core machine learning. Simply speaking, optimization under uncertainty.
Current position
Assistant Professor
Research  methodology
Combinatorial optimization, stochastic optimization, statistics, probability theory
Selected publications
Submodular stochastic probing on matroids, M Adamczyk, M Sviridenko, J Ward
Mathematics of Operations Research 2016
Improved analysis of the greedy algorithm for stochastic matching M Adamczyk
Information Processing Letters 2011
Improved approximation algorithms for stochastic matching M Adamczyk, F Grandoni, J Mukherjee
Algorithms-European Symposium on Algorithms 2015
Random order contention resolution schemes M Adamczyk, M Włodarczyk
Annual Symposium on Foundations of Computer Science (FOCS) 2018
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Piotr Wnuk-Lipiński, University of Wrocław, Poland


Research Topics
Computational intelligence, evolutionary algorithms, data mining, machine learning, time series and temporal data analysis, recommender systems, decision support systems
Current position
Assistant professor,
Head of the Computational Intelligence Research Group
Research  methodology
Applying computational intelligence / data mining / machine learning approaches
Selected publications
[1] P. Filipiak, P. Lipinski, Making IDEA-ARIMA efficient in dynamic constrained optimization problems, EvoStar, 2015.
[2] P. Lipinski, Evolutionary approach to optimization of data representation for classification of patterns in financial ultra-high frequency time series, GECCO, 2017.
[3] P. Lipinski, E. Brzychczy, R. Zimroz, Decision tree-based classification for Planetary Gearboxes’ condition monitoring with the use of vibration data in multidimensional symptom space, Sensors, 2020.
[4] J. Stanczyk, J. Kajewska-Szkudlarek, P. Lipinski, P. Rychlikowski, Improving short-term water demand forecasting using evolutionary algorithms, Scientific Reports, 2022.

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