activity
19992024
most citedPhysical Pooling Functions in Graph Neural Networks for Molecular Property Prediction

59 citations · 376 across the 66 of their papers we have counts for

collaborators

88 papers

cs.LG2024

Future Directions in the Theory of Graph Machine Learning

Christopher Morris, Fabrizio Frasca, Nadav Dym +7

Machine learning on graphs, especially using graph neural networks (GNNs), has seen a surge in interest due to the wide availability of graph data across a broad spectrum of discip…

cs.DS2023

Isomorphism for Tournaments of Small Twin Width

Martin Grohe, Daniel Neuen

We prove that isomorphism of tournaments of twin width at most can be decided in time . This implies that the isomorphism problem for classes of tourname…

cs.LG2023

Where Did the Gap Go? Reassessing the Long-Range Graph Benchmark

Jan Tönshoff, Martin Ritzert, Eran Rosenbluth +1

The recent Long-Range Graph Benchmark (LRGB, Dwivedi et al. 2022) introduced a set of graph learning tasks strongly dependent on long-range interaction between vertices. Empirical…

cs.LO2023

The Parameterized Complexity of Learning Monadic Second-Order Logic

Steffen van Bergerem, Martin Grohe, Nina Runde

Within the model-theoretic framework for supervised learning introduced by Grohe and Turán (TOCS 2004), we study the parameterized complexity of learning concepts definable in mona…

cs.LG2023★ 1 cited

Structural Node Embeddings with Homomorphism Counts

Hinrikus Wolf, Luca Oeljeklaus, Pascal Kühner +1

Graph homomorphism counts, first explored by Lovász in 1967, have recently garnered interest as a powerful tool in graph-based machine learning. Grohe (PODS 2020) proposed the theo…

cs.DM2023

Compressing CFI Graphs and Lower Bounds for the Weisfeiler-Leman Refinements

Martin Grohe, Moritz Lichter, Daniel Neuen +1

The -dimensional Weisfeiler-Leman (-WL) algorithm is a simple combinatorial algorithm that was originally designed as a graph isomorphism heuristic. It naturally finds applic…