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Data Infrastructures and Data Competencies as a Foundation for AI Projects Prof. Dr. Sonja Schimmler TU Berlin, Fraunhofer FOKUS and Weizenbaum Institute DiTraRe Symposium 2025
Motivation: AI transforming the scientific process across disciplines 202.12.2025, Sonja Schimmler Fraction of LLM-modified sentences in publications over time [Liang et al., Nature Hum Behav 2025] ?? ?
➔AI in data science & analysis pipelines Data analysis ➔AI adoption in research infrastructures Searching and integrating metadata, papers or research data ➔AI for labeling and generating data Simulating humans and synthetic data ➔AI assisting researchers in the scientific process Writing code or reviewing papers … ➔AI (semi-)autonomously conducting science? Motivation: AI transforming the scientific process across disciplines 3 AI Evolution Deep learning Representation learning Foundation models & LLMs Transfer learning Retrieval-augmented generation Agentic AI … AI Adoption in Science 02.12.2025, Sonja Schimmler
● Robustness & generalisability Shortcut learning & benchmark leakage; e.g. “predicting pneumonia” from x-rays [Geirhos et al., Nature Mach Intell 2020] ● Reproducibility & state-of-the-art crisis E.g. only 38% of top-tier deep learning papers are reproducible and only 5% beat simple baselines [Dacrema et al., RecSys 2019] ● Bias & discrimination E.g. health risk of people of color consistently underestimated by predictive algorithms. [Obermeyer et al., Science 2019] Motivation: Critical challenges for AI adoption in science 402.12.2025, Sonja Schimmler
NFDI4DS: NFDI and NFDI4DS 502.12.2025, Sonja Schimmler NFDI for Data Science and Artificial Intelligence ●NFDI to set up a German National Research Data Infrastructure The goal is to build ONE NFDI
NFDI4DS: A national research data infrastructure for data science and AI ● NFDI4DS is setting up a … ○ … National Research Data Infrastructure for Data Science and Artificial Intelligence ● Our Goals ○ Develop, establish and sustain a national research data infrastructure and offer innovative tools and services ○ Make all digital artefacts (articles, data, models, workflows, scripts/code) available ○Interlink all digital artefacts 6 DO Metadata Service Interfaces Identifier Knowledge Graphs (KGs) FAIR Digital Objects (FDOs) Neuro-symbolic Methods 02.12.2025, Sonja Schimmler
NFDI4DS: Towards adoption of AI in science 7 AI assistance in the whole AI research lifecycle FAIRness of paper, data, models, scripts/code, … AI literacy education & training, guidelines & best practices Reproducibility of science Responsible use of AI across disciplines Transparency of data & models (bias & discrimination) Fair benchmarking of models (robustness & generalisability) 02.12.2025, Sonja Schimmler
Infrastructure and services - 4DS meta portal 802.12.2025, Sonja Schimmler ●Utilizing knowledge graphs and AI methods Resources
Shared tasks - Readme2KG 902.12.2025, Sonja Schimmler 4DS Ontology GitHub ReadMe Files ●Development of new tools and services ●Community involvement