Joint Scientific Workshop by Ellis Unit Berlin and BIFOLD

Exploring the Frontiers of AI-driven Research

Machine learning models have demonstrated a vast capacity to learn complex phenomena from data and to reproduce them accurately, for example by providing precise predictions of molecular properties or by generating human language in natural conversations. However, due to their black-box nature, such models often resemble oracles with vast stores of knowledge rather than scientific tools capable of reporting or communicating the reasoning underlying their predictions. This limitation constrains their potential impact in scientific applications, where understanding why a model arrives at a prediction can be as important as the prediction itself and can substantially accelerate scientific discovery and understanding.

In this workshop, we seek to develop a broader and more systematic understanding of how the explanation and interpretation of artificial intelligence models can enable AI-driven research from both theoretical and applied perspectives. In particular, we aim to explore how AI-driven research can be enriched beyond model validation and trust assessment. The workshop will include invited talks, poster sessions, and dedicated time for discussion, fostering informal exchange across disciplines such as molecular science, medicine, digital humanities, geoscience, and related fields.

 

Schedule

Time Session
1:00 PM – 1:10 PM Opening Remarks + Presentation
Klaus-Robert Müller
1:10 PM – 1:55 PM Presentation + Discussion Explainable AI Introduction
Sebastian Lapuschkin
1:55 PM – 2:40 PM Coding Session + Discussion Implementing AI methods
Anna Hedström
2:40 PM – 3:10 PM Coffee Break
3:10 PM – 3:55 PM Presentation + Discussion AI in Science
Carolin Müller, Kevin Höllring 
3:55 PM – 4:40 PM Presentation + Discussion AI in Medicine
Keyl Philipp
4:40 PM – 6:30 PM Poster Session
7:00 PM – 10:00 PM Dinner with Speakers

Time Session
9:00 AM – 9:15 AM Opening Remarks
Klaus-Robert Müller
9:15 AM – 10:00 AM Invited Talk AI Methods
Tomaso Poggio
10:00 AM – 10:45 AM Invited Talk AI Methods
Marina Meila
10:45 AM – 11:15 AM Coffee Break
11:15 AM – 12:00 PM Invited Talk AI Methods
Przemysław Biecek
12:00 PM – 12:20 PM Impulsive Talk AI Methods
Bruno Andreis
12:20 PM – 1:30 PM Lunch Break
1:30 PM – 2:15 PM Invited Talk AI in Geoscience
Gustau Camps-Valls
2:15 PM – 3:00 PM Invited Talk AI in Geoscience
Begüm Demir
3:00 PM – 3:30 PM Coffee Break
3:30 PM – 3:50 PM Impulsive Talk
Wojciech Samek
3:50 PM – 8:30 PM Social Event

Time Session
9:00 AM – 9:45 AM Invited Talk AI in Science
Alexandre Tkatchenko
9:45 AM – 10:30 AM Invited Talk AI in Science
Anatole von Lilienfeld 
"The magnificent 7: Simple rules for efficient machine learning in Chemical Space"
10:30 AM – 11:00 AM Coffee Break
11:00 AM – 11:45 AM Invited Talk AI in Science
Maximilan Dax
"AI in Gravitational-Wave Astronomy"
11:45 AM – 12:05 PM Impulse Talk AI in Science
Thomas Schnake
12:05 PM – 1:15 PM Lunch Break
1:15 PM – 2:00 PM Invited Talk AI in Social Science
Iyad Rahwan
2:00 PM – 2:45 PM Invited Talk AI in Social Science
Carlos Zednik
2:45 PM – 3:15 PM Coffee Break
3:15 PM – 3:35 PM Impulse Talk AI in Social Science
Oliver Eberle

Time Session
9:00 AM – 9:45 AM Invited Talk AI in Social Science
Katharina Rohlfing
9:45 AM – 10:30 AM Invited Talk AI in Digital Humanities
Dominik Kowald
"Transparency, privacy, and fairness of AI-driven recommender systems"
10:30 AM – 11:00 AM Coffee Break
11:00 AM – 11:45 AM Invited Talk AI in Digital Humanities
Jochen Büttner
"RAG as Explainable Infrastructure for Scientific Knowledge"
11:45 AM – 12:05 PM Impulse Talk AI in Digital Humanities
Lorenz Hufe
12:05 PM – 1:15 PM Lunch Break
1:15 PM – 2:00 PM Invited Talk AI in Medicine
Frederick Klauschen
2:00 PM – 2:45 PM Invited Talk AI in Cognitive Neuroscience
Martin Hebart
"Interpretable dimensions underlying human-AI alignment in brains and behavior"
2:45 PM – 3:15 PM Coffee Break
3:15 PM – 4:00 PM Invited Talk AI in Medicine
Dagmar Kainmüller
4:00 PM – 4:20 PM Impulse Talk AI in Medicine
Grégoire Montavon
4:20 PM – 5:50 PM Poster Session
5:50 PM – 6:00 PM Closing Remarks

Confirmed Speaker

The workshop is currently in the planning phase. So far, we are pleased to announce that the following renowned speakers have confirmed their participation. 
The speaker list will be continuously updated in the coming days.

About the Workshop

The workshop is jointly organized by ELLIS Unit Berlin and BIFOLD - The Berlin Institute for the Foundations of Learning and Data.

Date: 26.05.2026 - 29.05.2026

Location: Lanolinfabrik Salzufer, also known as Forum Digitale Technologien (FDT)
Salzufer 15-16, 10587 Berlin, Groundfloor
Google Maps Link

The aim of the three-day-workshop plus an optional preceding half-day tutorial is to bring together internationally renowned scientists, local scholars, and students. The tutorial offers a concise introduction to paradigms and tools that enrich AI-driven research with transparency and understanding. Through hands-on discussions, practical software demonstrations, and concrete application examples, participants will gain familiarity with key explanation methods for machine learning models. No prior experience is required - the tutorial is designed to ensure everyone can follow the main workshop with confidence.

Registration: Please register here

While preference will be given to ELLIS, ELIZA and Hector Fellow Academy researchers, applications are warmly welcomed from qualified individuals worldwide.

The final agenda is still under revision but will comprise keynotes, scientific presentations of varying length, poster sessions, and in-depth discussions in an informal and engaging setting.

Workshop Organizers

  • Dr. Thomas Schnake, University of Toronto
  • Dr. Oliver Eberle, BIFOLD/TU Berlin
  • Prof. Dr. Grégoire Montavon, BIFOLD/Charité - Universitätsmedizin Berlin
  • Prof. Dr. Matteo Valleriani, Max-Planck Institut Berlin
  • Prof. Dr. Wojciech Samek, Fraunhofer HHI Berlin/TU Berlin
  • Prof. Dr. Klaus-Robert Müller, BIFOLD/TU Berlin