2nd MaRDI Workshop on Scientific Computing

Session

Contributed

CP

16 Oct 2024, 17:00

Main/groundfloor-V0.05/2+3 - Prigogine (Max Planck Institute for Dynamics of Complex Technical Systems)

Conveners

Contributed

• Frank Wübbeling (University of Münster)

Contributed

• There are no conveners in this block

Contributed

• Mario Ohlberger (University of Münster)

Contributed

• Pavan L. Veluvali (Max Planck Institute for Dynamics of Complex Technical Systems)

Contributed

• Jan Heiland

9. A concrete CSE workflow framework for FAIR numerical experiments: A multi-layered approach

Pavan L. Veluvali (Max Planck Institute for Dynamics of Complex Technical Systems)

16/10/2024, 17:00

Talk

Numerical algorithms and computational tools are essential for managing and analyzing complex data processing tasks. As meta-data and parameter-driven simulations have become more prevalent, the need for automated workflows to reproduce computational experiments across platforms has
significantly increased. In general, a computational workflow is defined as a step-by-step description for...

17. Improving Interoperability in Scientific Computing via MaRDI Open Interfaces

Dmitry Kabanov (University of Münster)

16/10/2024, 17:30

Talk

In scientific computing, researchers often encounter two challenges while conducting computational experiments. First, many problems necessitate the use of multiple numerical solvers implemented in different programming languages. Second, numerical solvers for the same problem type typically have discrepancies in their programming interfaces. These factors hinder interoperability: connecting...

4. The MaRDI Portal - Overview & Outlook

Tim Conrad (Zuse Institut Berlin)

17/10/2024, 10:00

Talk

The MaRDI portal is a specialized platform developed as part of the MaRDI project under the National Research Data Infrastructure (NFDI) initiative, aimed at advancing the field of mathematics. The portal provides access to a comprehensive repository of metadata within and beyond the mathematical sciences, facilitating efficient discovery, management, and reuse of mathematical research data....

12. Benchmarking-on-demand/Benchmarking-as-a-service: New concepts for numerical benchmarking in the age of Chatgpt and other AI tools

Stefan Turek (TU Dortmund)

17/10/2024, 14:00

Talk

Nowadays, it is more or less standard that newly proposed numerical algorithms and software tools are validated and evaluated by known and community-accepted benchmark results. This typically requires presenting corresponding numerical results for (at least) three different “grid sizes” (in terms of mesh widths in space and time) so that comparisons can be made with the corresponding reference...

18. Computer Algebra Data

Michael Joswig (TU Berlin)

17/10/2024, 14:30

Talk

We will give a data-centric introduction to the new open source computer algebra system OSCAR:
https://www.oscar-system.org

The OSCAR project develops a comprehensive Open Source Computer Algebra Research system for computations in algebra, geometry, and number theory, written in Julia. In particular, the emphasis is on supporting complex computations which require a high level of...

19. Systems biology data management in de.NBI

Wolfgang Mueller (Heidelberg)

17/10/2024, 16:30

Talk

The de.NBI is the German (de) Network for Bioinformatics Infrascructure. It was initially funded by BMBF and is currently indirectly funded by the BMBF and the state of North Rhine-Westphalia via the FZ Jülich. Currently, it is organized into centers. One of these centers has systems biology as a topic, combining modelling tools COPASI and CellNetAnalyzer with data management tools. Systems...

2. Ontology for R language packages

Laszlo Nemeth (Weierstrass Institute for Applied Analysis and Stochastics)

18/10/2024, 10:30

Talk

Our aim is an ontology for R language packages published on The Comprehensive R Archive Network. First, we try to enhance the current metadata information available on CRAN. In addition, with a software extracting the enriched metadata information on package uploads that can fill the ontology with instances, connection to the Mathematical Research Data Initiative (MaRDI) portal and knowledge...

16. MathAlgoDB – A Knowledge Graph for Scientific Computing

Frank Wübbeling (University of Münster)

18/10/2024, 11:00

Talk

In the MathAlgoDB (formerly AlgoData) project, we focus on the Findability part of the FAIR principles in scientific computing.

Currently, there is no way of directly discovering matching algorithms for a problem with specific properties, corresponding publications, benchmarks, and implementations. We fix this problem by creating a structured, curated database that adheres to a strict...

13. Imperative Knowledge Representation with PyIRK

Carsten Knoll (TU Dresden)

18/10/2024, 11:30

Talk

The semantic web as a concept was introduced more then 20 years ago. Nevertheless, compared to numerical AI (neural networks) the usage of semantic technologies (aka symbolic AI) in the mathematics-based sciences, including engineering, is still not widespread. In this talk we briefly evaluate existing technologies like RDF, OWL, Wikidata and ORKG for modeling mathematical knowledge such as...

1. LiveDocs: Crafting Interactive Development Environments From Research Findings

Pedro Costa Klein (Univeristy of Göttingen)

Talk

Open Science is a recurrent topic in scientific discussion, with a current effort to make research more accessible to a broader audience being observed. In this sense, a focus on delivering research findings that are reproducible, or even re-usable has been proposed as one way of achieving such accessibility goals.

In this talk, we will present LiveDocs: an initiative of the...

21. Research data management in the curriculum

Christiane Görgen

I will provide a brief overview about successful and not-so-successful implementations of rdm topics in maths curricula, and I will discuss the aims of such implementations. I then provide a platform for discussion, together with the workshop audience, about how lecturers and researchers in scientific computing might adapt existing solutions and anchor them in their communities.