activity
20202026
most citedDirectional Message Passing for Molecular Graphs

361 citations · 362 across the 6 of their papers we have counts for

collaborators

8 papers

cs.AI2026

AAS-RAIL: Improving Information Extraction for Asset Administration Shells through Retrieval-Augmented In-Context Learning

Janek Groß, Jens Heidrich

The Asset Administration Shell (AAS) is a cornerstone of Industry 4.0 and the Digital Product Passport, providing standardized digital representations of industrial assets. While m…

cs.SE2026

Quality Metrics for LLM-Generated Asset Administration Shells: A Perturbation-Based Evaluation Approach

Janek Groß, Elena Zentgraf, Jens Heidrich

The rapid digital transformation of manufacturing, often referred to as Industry 4.0, relies on seamless interoperability between physical and software assets. A central enabler is…

cs.SE2023

Operationalizing Assurance Cases for Data Scientists: A Showcase of Concepts and Tooling in the Context of Test Data Quality for Machine Learning

Lisa Jöckel, Michael Kläs, Janek Groß +8

Assurance Cases (ACs) are an established approach in safety engineering to argue quality claims in a structured way. In the context of quality assurance for Machine Learning (ML)-b…

cs.LG2023

Timeseries-aware Uncertainty Wrappers for Uncertainty Quantification of Information-Fusion-Enhanced AI Models based on Machine Learning

Janek Groß, Michael Kläs, Lisa Jöckel +1

As the use of Artificial Intelligence (AI) components in cyber-physical systems is becoming more common, the need for reliable system architectures arises. While data-driven models…

cs.SE2022★ 1 cited

Architectural patterns for handling runtime uncertainty of data-driven models in safety-critical perception

Janek Groß, Rasmus Adler, Michael Kläs +3

Data-driven models (DDM) based on machine learning and other AI techniques play an important role in the perception of increasingly autonomous systems. Due to the merely implicit d…

cs.SE2021

Towards a Common Testing Terminology for Software Engineering and Data Science Experts

Lisa Jöckel, Thomas Bauer, Michael Kläs +2

Analytical quality assurance, especially testing, is an integral part of software-intensive system development. With the increased usage of Artificial Intelligence (AI) and Machine…

cs.MS2021

A systematic review of Python packages for time series analysis

Julien Siebert, Janek Groß, Christof Schroth

This paper presents a systematic review of Python packages with a focus on time series analysis. The objective is to provide (1) an overview of the different time series analysis t…

cs.LG2020★ 361 cited

Directional Message Passing for Molecular Graphs

Johannes Gasteiger, Janek Groß, Stephan Günnemann

Graph neural networks have recently achieved great successes in predicting quantum mechanical properties of molecules. These models represent a molecule as a graph using only the d…