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HGS MathComp - Where Methods Meet Applications

The Heidelberg Graduate School of Mathematical and Computational Methods for the Sciences (HGS MathComp) at Heidelberg University is one of the leading graduate schools in Germany focusing on the complex topic of Scientific Computing. Located in a vibrant research environment, the school offers a structured interdisciplinary education for PhD students. The program supports students in pursuing innovative PhD projects with a strong application-oriented focus, ranging from mathematics, computer science, bio/life-sciences, physics, and chemical engineering sciences to cultural heritage. A strong focus is put on the mathematical and computational foundations: the theoretical underpinnings and computational abstraction and conception.

HGS MathComp Principal Investigators are leading experts in their fields, working on projects that combine mathematical and computational methodology with topical research issues. Individual mentoring for PhD candidates and career development programs ensure that graduates are fully equipped to take up top positions in industry and academia.

10.11.2026
17:00 - 18:30
Theory & Methods
Unpacking the Black Box: From PCA to EOFlows
Talk

Speaker: Prof. Dr. Ullrich Köthe • IWR, Heidelberg University
Location: DKFZ Communication Center (H1) • Im Neuenheimer Feld 280 • 69120 Heidelberg
Registration: For a better planning please register for the event at meetup event-site.
Organizer: heidelberg.ai
ECTS: 1 for 5
We are happy to welcome Prof. Dr. Ullrich Köthe from Heidelberg University to heidelberg.ai to talk about EOFlows, a non-linear extension of Principal Component Analysis (PCA).

For more information, please visit the website.

Heidelberg.ai is an initiative launched by a group of PhD students who regularly invite speakers to discuss topics related to AI.

PCA identifies the main factors of variation in a dataset, but it is limited to linear relationships. Normalizing flows can capture more complex patterns, but they lack interpretability.
EOFlows aim to combine the flexibility of normalizing flows with the interpretability of PCA. Using orthogonality regularization, they learn latent dimensions that capture distinct factors of variation, which can be ranked by their explained entropy.
In this talk, Prof. Köthe will explain how EOFlows work and show what they discover in the CelebA portrait dataset. He will also discuss how stable the results are across training runs and how the method compares with existing approaches.
 
10.11.2026
17:15
Theory & Methods
Lieseberg Colloquium: Photoredox catalysis with flavins, deazaflavins and their anions
Colloquium

Speaker: Prof. Dr. Radek Cibulka • University of Chemistry and Technology • Prague, Czech Republic
Location: Hörsaal West • Im Neuenheimer Feld 252, 69120 Heidelberg
Organizer: Institute of Organic Chemistry
ECTS: 1 for 5
As part of the Lieseberg Colloquia, lectures are given by researchers from all areas of chemical research. The lectures generally take place during the semester on Tuesdays at 5:15 p.m. in Lecture Hall West INF 252 (any changes are noted in the event program); coffee and pastries are served starting at 5:00 p.m. The Lieseberg Colloquia are coordinated by Dr. Tobias Morack.

The use of catalysts in an excited state enables a range of chemical transformations that are not accessible by conventional methods. Photoexcitation generates strongly oxidising and reducing agents, which can serve as valuable alternatives to hazardous or costly reagents. Flavins and deazaflavins, prominent natural chromophores (e.g. riboflavin), are characterised by several stable redox and excited states. Consequently, flavin-based photocatalysts are well suited to drive various redox reactions. Recent results from our group and others have shown that flavin species can act as reducing agents, with reducing capabilities comparable to sodium.
In this presentation, the rational design of flavin- and deazaflavin-based systems for photoreductions will be discussed. These systems are based either on a conPET process involving excited flavin radical anions, anionic flavin species and solvated electrons. Applications will be demonstrated, including the generation of phenyl radicals from aryl fluorides, chlorides and bromides, followed by coupling reactions, as well as reductive detriflylation and detosylation. Reductive power of flavin radicals also allows flavin regeneration via solvent (acetonitrile) reduction
in oxidative processes.
 
11.11.2026
16:30 - 18:00
Theory & Methods
"Machine learning galore!" Scientific Machine Learning
Colloquium

Location: Mathematikon • 5th Floor • Im Neuenheimer Feld 205 • 69120 Heidelberg
Registration: Please register via this form • Please register for free by November 9th!
Organizer: MLAI
ECTS: 1 for 5
Machine learning galore will feature lab presentations by PIs as well as scientific talks by junior scientists.

To help plan the catering, please register for free by clicking here.

Scientific Machine Learning is a joint initiative from STRUCTURES and IWR aimed at fostering interactions within and development of the local machine learning community. Its portal summarizes the many relevant events and news from across campus that would otherwise remain scattered across single institutions or fields. The goals of the MLAI platform align with the STRUCTURES Cluster of Excellence's objective of driving research into the fundamental understanding of current and future machine learning, and with IWR’s aim to leverage machine learning to enable the solution of long-standing problems in the natural and life sciences, the engineering sciences, as well as the humanities.

Further information and links:
MLAI homepage • Machine Learning Talks on Campus – Information service and mailing list • STRUCTURES Cluster of Excellence

Lab presentations
Lena Maier-Hein • Claudia Strauch • Alexander Zipf

Rocket science
Leon Mayer (Maier-Hein Lab)
How Naturally Adverbial Medical Images Challenge Vision-Language Models

Marta Gentiloni Silveri (Strauch Lab)
How Reliably Can Generative Models Reconstruct Data from Pure Noise?

Gefei Kong (Zipf Lab)
From bird’s eyes to human eyes: mapping street-view greenness by DL model from satellite imagery and geo foundation embeddings