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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.

06.11.2026
13:30
Theory & Methods
STRUCTURES Jour Fixe: The formal semantics of general 'computing' processes (and how this connects to modeling multiscale dynamical systems in general)
Talk

Speaker: Herbert Jaeger • Groningen University
Location: Physikalisches Institut • Großer Hörsaal • Philisophenweg 12, 69120 Heidelberg
Registration: No registration required
Organizer: STRUCTURES Cluster of Excellence
ECTS: 1 for 5
The STRUCTURES Jour Fixe is the central meeting point of STRUCTURES. Its talks cover the entire scientific breadth of STRUCTURES and aim at all members.

For more information, please visit the event website.

My current research concerns formal theory-building (I am a mathematician) in the field of non-digital, 'neuromorphic' computing (NC). Unlike the situation in digital computing, for which a wonderfully transparent and powerful system of interconnected formal theories has been worked out since Alan Turing set the foundation stone in 1936, for NC we painfully lack a general formal grounding. The challenge lies in the condition that NC hardware systems are not digital but evolve in continuous time in spatially organized nonlinear physical substrates (biological neural tissue or engineered new materials). To become practically useful, neuromorphic computing systems must become analyzable, designable, controllable and interpretable across many temporal and spatial scales. Furthermore, when complex physical dynamics in unconventional hardware should become interpretable as 'computing', it is not enough to describe these multiscale dynamics as a physicist would do – in addition to modeling the physical hardware dynamics, one must at the same time also model what these processes 'mean' (which computational tasks they can serve). In the digital computing world, formal theories for capturing the task semantics of computing processes are known, and these formal semantics are key enablers for almost all branches of modern IT technologies. In my talk I explain this problem setting in hopefully understandable ways. While this is all couched in a NC context as far as this talk is concerned, the questions asked are identical to questions that confront other complex systems modelers.
 
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.