DILiS - News and Outreach Activities

May 29, 2026: Una Europa General Assembly in Paris

Data Science and AI are central topics for European research and innovation. At the Una Europa general assembly in beautiful Paris, I really enjoyed learning and discussing how international researchers around the chair Jussi Kangasharju from the SSC Data Science and AI envision improving knowledge-sharing, education and fostering cultural exchange in this fast-developing field. It was also great meeting, discussing and joining forces with Claudia Müller-Birn and Christian von Sikorski from Freie Universität Berlin.

May 18, 2026: Simulation-Based Transfer Learning Paper Published in BMC Bioinformatics: Selecting synthetic data for successful simulation-based transfer learning in dynamical biological systems

Machine learning is powerful, but in biology, training data is often scarce. Our new piece of research addresses a key question in ML for biology: When you do not have enough real-world data, can you train on synthetic data instead? Short answer: Yes, but it is only helpful if that synthetic data based on mechanistic prior knowledge is carefully designed and suits the task. Simon Witzke, Julian Zabbarov, Maximilian Kleissl, Pascal Iversen, Bernhard Renard, and Katharina Baum developed a systematic pipeline for selecting and evaluating the right size, diversity, and noise level for ODE-based synthetic datasets for transfer learning. Find the full paper published at BMC Bioinformatics: https://lnkd.in/duBMgg6e

May 12, 2026: DrEval Paper Published in Nature Communications: Critical evaluation of drug response prediction models with DrEval

ML-based cancer cell line drug response models are well-motivated, and significant research effort has gone into developing complex modeling approaches (over 100 papers in 2025). The problem: under rigorous evaluation, none of them actually works: most are published based on inflated metrics, break down when probed in realistic application scenarios, and are outperformed by simple baselines. Judith Bernett and Pascal Iversen, together with collaborators Mario Picciani, Katharina Baum, Markus List, and Mathias Wilhelm, built DrEval, a pipeline for unbiased evaluation of these models, to encourage more meaningful progress in the field. Now published in Nature Communications: https://lnkd.in/dPuynXD3. DrEval could also function as an unbiased reward signal for AI agent–based model development in biological ML. The team is happy to chat about this if anyone is interested in details.

February 17, 2026: Successful PhD Defense of Flavio Morelli

Huge congratulations to Flavio Morelli for successfully defending his PhD thesis, on Multi-omics integration for advancing ML-driven drug discovery! We are very proud of his achievement and wish him all the best for his future work at Bayer.

June 12-13, 2025: What's graphs got to do with this?

Katharina Baum gave a keynote talk at the GMDS Workshop Computational Models in Biology and Medicine that is hosted this year by Tim Kacprowski's group at TU Braunschweig. In the talk with the title "What's graphs got to do with it? Exploiting networks for predictions in the life sciences", she reported on three DILiS projects where biological graphs play a central role for prediction. Definitely a topic to follow up on!

January 7, 2025: DILiS goes BLISS

Join the BLISS speaker series on Tuesday, January 7, 6:45 pm, to listen to a talk by Katharina Baum who is going to present the group's work in her talk "Making AI fit for the life sciences: Informing ML and explaining uncertainty". If you couldn't make it this time: The talk was recorded and provided as a Youtube video. Please find more information on the BLISS speaker series here.

November 28, 2024: Presentation of our work at BIFOLD lunch seminar

You are warmly invited to the next issue of the BIFOLD lunch seminar, taking place on Thursday, Nov 28, at TU Berlin (Marchéstr) from 12-1pm (see more info here). Katharina Baum will talk about the group's progress in informed machine learning, and especially highlighting the differences between physically informing ML and biologically informing ML: "ML meets systems biology: Leveraging domain knowledge from differential equation-based synthetic data". There will be food available!

September 30 - October 2, 2024: DILiS at GCB 2024

We are presenting two of our projects at this year's German Conference on Bioinformatics in Bielefeld. Pascal Iversen will discuss about his work with Judith Bernett, Consistent and Biologically Meaningful Evaluation of Cancer Drug Response Prediction Models with DrEval, on appropriate evaluation of drug response prediction in a cooperation with two labs from TUM, that of Markus List and Mathias Wilhelm during the poster session. Katharina Baum's will present a project on informing machine learning, How to successfully inform machine learning for predictions in biological systems with prior knowledge from ordinary differential equation-based simulations, which has been selected as one of the contributed talks and will take place on October 1, 11 am in the Modeling and Systems Biology session. Check out the corresponding preprint here.

September 6, 2024: PEPerMINT paper published at Bioinformatics

Check out the paper to our new method PEPerMINT for GNN-based peptide abundance imputation that is now published at Bioinformatics (ECCB 2024 issue). It also includes a benchmark with various datasets. Special kudos to the first authors Tobias Pietz who did this work during his Master's thesis at HPI with us, and Sukrit Gupta for their great work, and of course a big thanks to the other contributors, Chris and Bernhard from the DACS chair at HPI, and Hanno and Saima from the Steen lab from Boston! We will be presenting the project as a talk in Turku, Finland, at ECCB2024 later in September. You can find the publication here.

July 26, 2024: Successful defense of BA thesis

We congratulate Jan Ehlting to the successful last step to his Bachelor thesis in Computer Science with the title "Computergestützte Methodik zur Simulation und Untersuchung struktureller Veränderungen in Proteinnetzwerken". We are looking forward to using your developed code of PyProteoNet for our research. All the best, Jan, we enjoyed the time time you spent in our group!

July 22, 2024: PhD position in ML open in our lab

Pending funding allocation, we are hiring a full-time PhD student in the BMBF-funded project Act-i-ML for 3 years. See the official job ad on the FU website here [German only, sorry, but applications in English are welcome].

June 24, 2024: Research internship on multi-omics data analysis

We are offering a 7-week research internship in collaboration with the Winter lab at University of Bonn. Join us to explore the fascinating function of lysosomes, just drop us an email if you are interested!

May 31, 2024: Paper accepted at ECCB 2024

Celebrate with us the acceptance of our paper PEPerMINT: Peptide Abundance Imputation in Mass Spectrometry-based Proteomics using Graph Neural Networks by Tobias Pietz & Sukrit Gupta et al. at this year's ECCB 2024. Big congrats and thanks to all collaborators! See the preprint on bioarxiv here.

April 25, 2024: Girl's Day

We offered a workshop at the Girl's Day 2024: On April 25, we found out together with 12 girls when to better be careful with ChatGPT as it turns out lying, and we introduced how to use it for programming with Python. There, ChatGPT can be really helpful! Link to our project: Der Mensch im Computer - wie Alexa, ChatGPT + Co. die Welt verändern und warum sie manchmal schwindeln
Topic revision: r16 - 23 Jun 2026, Renka01UserTopic
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