From scientific models to reliable decision making - RDM as a backbone for validated, FAIR, and reproducible engineering simulations
Abstract
Engineering simulations are increasingly central to scientific discovery and decision-making in complex systems. With growing demands for transparency, reproducibility, and interdisciplinary collaboration, Research Data Management (RDM) has emerged as a key enabler of validated and FAIR (Findable, Accessible, Interoperable, Reusable) simulation workflows. This keynote highlights how structured data practices—ranging from provenance tracking, verification and validation to data sharing and joint developments in collaborative projects are transforming simulation results into reliable, decision-supporting assets. By integrating RDM into engineering processes, researchers can enhance the impact, credibility, and reusability of their work, fostering trust and accelerating innovation across disciplines. Reproducibility (workflows) Reusability (provenance tracking of simulation results) Experimental data Verification and validation UQ DMP in the context of larger projects Joint collaborative projects (platforms with joint access) Tool intendent simulation description (what was the numerical problem that I tried to solve), VMAP for the results
Full text
www.bam.de FROM SCIENTIFIC MODELS TO RELIABLE DECISION MAKING RDM AS A BACKBONE FOR VALIDATED, FAIR, AND REPRODUCIBLE ENGINEERING SIMULATIONS Jörg F. Unger 05.12.2025
BAM Our mission: safety in technology and chemistry Jörg F. Unger - GAMM RSE&RDM 3Dec 5th 2025 BAM is a senior scientific and technical federal authority with responsibility to the
BAM Our tasks & Focus areas 4 Statutory duties for technical safety Research and development Testing, analysis, approval Consulting the German Federal Government and Industry Contribution to standards and statutory regulations Technology transfer Dec 5th 2025 Jörg F. Unger - GAMM RSE&RDM
Virtual testing Dec 5th 2025 Jörg F. Unger - GAMM RSE&RDM 5 Special Form 2,4g Typ A 167kg Typ B package for research reactor SNF 23t UF6 package drop & fire testing 120t Typ B package for compacted waste
Design standards Jörg F. Unger - GAMM RSE&RDM 6Dec 5th 2025 Foto von PERI 3D Construction GmbH
Simulation based digital twins Jörg F. Unger - GAMM RSE&RDM 7Dec 5th 2025
Poll Dec 5th 2025 Jörg F. Unger - GAMM RSE&RDM 8 1. I can reproduce the simulation results of other scientists with their code –Usually works without additional effort –Could take a bit longer –Only with the support of the authors –No chance, I did not try
Poll Dec 5th 2025 Jörg F. Unger - GAMM RSE&RDM 9 2. Why were you not able to reproduce the result? –Code not accessible (software environment & input files) –Code not executable/installable –Unclear documentation (what was execute in which order and how)
www.bam.de Jörg F. Unger - GAMM RSE&RDM 10 (Simulation)-Workflows Dec 5th 2025
Poll Dec 5th 2025 Jörg F. Unger - GAMM RSE&RDM 17 4. How do you rate your experience working with data from (experimentally working) colleagues –Everything is well structured, I find everything I need –Well structured from the data producer, but that structured is often not intuitive for me –A loose collection of unstructured data, changing on every new dataset
www.bam.de Jörg F. Unger - GAMM RSE&RDM 18 Knowledgegraph and ontologies Dec 5th 2025
Application areas of ontologies in computational engineering Jörg F. Unger - GAMM RSE&RDM 19 Description of data (validation, calibration, statistical analysis) Description of models (both strong form and discretized weak form) Description of results with complete provenance Dec 5th 2025
Hierarchical ontology structure Dec 5th 2025 Jörg F. Unger - GAMM RSE&RDM 22
Knowledge graph Dec 5th 2025 Jörg F. Unger - GAMM RSE&RDM 24 <Bob> <is a> <person>. <Bob> <is a friend of> <Alice>. <Bob> <is born on> <the 4th of July 1990>. <Bob> <is interested in> <the Mona Lisa>. <the Mona Lisa> <was created by> <Leonardo da Vinci>. <the video 'La Joconde à Washington'> <is about> <the Mona Lisa> https://medium.com/@emreeyukseel/a-brief-summary-of-knowledge-graphs-5b9d854235e5
Knowledge graph Dec 5th 2025 Jörg F. Unger - GAMM RSE&RDM 25 https://medium.com/@emreeyukseel/a-brief-summary-of-knowledge-graphs-5b9d854235e5
Terminology service https://terminology.nfdi4ing.de Dec 5th 2025 Jörg F. Unger - GAMM RSE&RDM 26
Metadata profiles Dec 5th 2025 Jörg F. Unger - GAMM RSE&RDM 27 https://profiles.nfdi4ing.de
Open Research Knowledge graph (ORKG) Dec 5th 2025 Jörg F. Unger - GAMM RSE&RDM 28
www.bam.de Jörg F. Unger - GAMM RSE&RDM 29 Research objects (ROCrate) Dec 5th 2025
Tool agnostic model description Dec 5th 2025 Jörg F. Unger - GAMM RSE&RDM 36 •Verification needs a tool-independent description of the model to ensure understanding beyond software specifics •Option •Paper •Mathematical formal language (MFront, Modelica, MathML, BIM, VMAP, OpenMath) •Via metrics in verification benchmark
Requirement draft for semantically modeling simulation models Dec 5th 2025 Jörg F. Unger - GAMM RSE&RDM 37
MathModDB for model description Jörg F. Unger - GAMM RSE&RDM 38Dec 5th 2025 https://portal.mardi4nfdi.de/wiki/Model:6775296
Standardized model output format https://www.vmap-standard.org/ Jörg F. Unger - GAMM RSE&RDM 39 FEM Simulation Export •Metadata •Mesh •Nodes •Elements •Quadrature scheme •Results •Multiple time steps •Various data fields export Dec 5th 2025
(Simulation)-Software verification Dec 5th 2025 Jörg F. Unger - GAMM RSE&RDM 40 Verification •only feasible via benchmarks tests •hierarchical •general benchmarks could be performed on public level •comparison of results for different tools essential for quality control (and model definitions)
Platform components https://github.com/BAMresearch/NFDI4IngModelValidationPlatform Jörg F. Unger - GAMM RSE&RDM 41Dec 5th 2025
ROCrate for provenance in workflow plugins Jörg F. Unger - GAMM RSE&RDM 42 https://www.researchobject.org/workflow-run-crate/profiles/provenance_run_crate/ Dec 5th 2025
ROCrate for provenance in workflow plugins Jörg F. Unger - GAMM RSE&RDM 43 https://github.com/BAMresearch/NFDI4IngModelValidationPlatform/actions/ Dec 5th 2025
ROHub as a registry for ROCrates https://www.rohub.org/ Jörg F. Unger - GAMM RSE&RDM 44 •Upload of ROCrates via python API or manually •SPARQL endpoint to query knowledge graph and retrieve relevant ROCrates •Download ROCrates.zip Dec 5th 2025
Jörg F. Unger - GAMM RSE&RDM 45 Registry •ROHub, SPAQRL endpoint Dec 5th 2025
Summary – Challenges for RDM&RSE in GAMM Dec 5th 2025 Jörg F. Unger - GAMM RSE&RDM 52 •Reproducible paper/simulation workflows •Verification & Validation with publicly accessible benchmark data •Experimental data (incl. structure) •Definition of benchmarks •Benchmark results with provenance •(Meta)-data structure for description of simulation models Foto von PERI 3D Construction GmbH
www.bam.de Thank you for your attention! Dr. Jörg F. Unger Head of division 7.7 “Modeling and simulation” Tel.: +49 (0)30 8104-3787 Email: joerg.ung[email protected]e Jörg F. Unger - GAMM RSE&RDM 53Dec 5th 2025