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ML for Simulation

Machine Learning for Simulation

The “Graph Guys”, as we like to call ourselves, focuses on the intersection of deep learning and physical sciences. We specialize in Geometric Deep Learning and Graph Neural Networks (GNNs), leveraging these architectures to model the complex, non-Euclidean relationships inherent in scientific data. This data includes irregular meshes for structural mechanics and dynamic particle interactions in fluid systems.

We believe that for ML to be truly transformative in engineering, it must understand the underlying principles of physics, adapt to changing environmental conditions, and provide reliable results in data-scarce regimes. By integrating symmetries, conservation laws, and multi-scale reasoning into our models, we are building the next generation of ML models that enable high-speed, high-fidelity simulations for applications like prototyping and design optimization.

A cornerstone of our team’s research is our close partnership with the Institute of Vehicle System Technology (FAST).

Key Areas

  • Graph Network Simulators
  • Learned Adaptive Meshing
  • Physics-Consistent Dynamics

Members

Niklas Freymuth

Graph Network Simulators, Multi-Agent Reinforcement Learning, Large Language Models

Philipp Dahlinger

Graph Network Simulation, Meta-Learning, Bayesian Deep Learning.

Tai Hoang

Reinforcement learning and physical modelling with graphs.

Andreas Boltres

SAP

Computer Networking, Geometric Deep Learning, Multi-Agent Reinforcement Learning

Publications

2026

Improving Long-Range Interactions in Graph Neural Simulators via Hamiltonian Dynamics

Improving Long-Range Interactions in Graph Neural Simulators via Hamiltonian Dynamics

Tai Hoang, Alessandro Trenta*, Alessio Gravina*, Niklas Freymuth, Philipp Becker, Davide Bacciu, Gerhard Neumann
ICLR · 2026

2025

MaNGO — Adaptable Graph Network Simulators via Meta-Learning

MaNGO — Adaptable Graph Network Simulators via Meta-Learning

Philipp Dahlinger, Tai Hoang, Denis Blessing, Niklas Freymuth, Gerhard Neumann
NeurIPS · 2025
Context-aware Learned Mesh-based Simulation via Trajectory-Level Meta-Learning

Context-aware Learned Mesh-based Simulation via Trajectory-Level Meta-Learning

Philipp Dahlinger, Niklas Freymuth, Tai Hoang, Tobias Würth, Michael Volpp, Luise Kärger, Gerhard Neumann
TMLR · 2025
AMBER: Adaptive Mesh Generation by Iterative Mesh Resolution Prediction

AMBER: Adaptive Mesh Generation by Iterative Mesh Resolution Prediction

Niklas Freymuth, Tobias Würth, Nicolas Schreiber, Balázs Gyenes, Andreas Boltres, Johannes Mitsch, Aleksandar Taranovic, Tai Hoang, Philipp Dahlinger, Philipp Becker, Luise Kärger, Gerhard Neumann
NeurIPS · 2025
Geometry-aware RL for Manipulation of Varying Shapes and Deformable Objects

Geometry-aware RL for Manipulation of Varying Shapes and Deformable Objects

Tai Hoang, Huy Le, Philipp Becker, Vien Anh Ngo, Gerhard Neumann
ICLR · 2025 Oral
Diffusion-Based Hierarchical Graph Neural Networks for Simulating Nonlinear Solid Mechanics

Diffusion-Based Hierarchical Graph Neural Networks for Simulating Nonlinear Solid Mechanics

Tobias Würth, Niklas Freymuth, Gerhard Neumann, Luise Kärger
NeurIPS · 2025 Spotlight

2024

Iterative Sizing Field Prediction for Adaptive Mesh Generation From Expert Demonstrations

Iterative Sizing Field Prediction for Adaptive Mesh Generation From Expert Demonstrations

Niklas Freymuth, Philipp Dahlinger, Tobias Würth, Philipp Becker, Aleksandar Taranovic, Onno Grönheim, Luise Kärger, Gerhard Neumann
Preprint · 2024
Physics-informed MeshGraphNets (PI-MGNs): Neural finite element solvers for non-stationary and nonlinear simulations on arbitrary meshes

Physics-informed MeshGraphNets (PI-MGNs): Neural finite element solvers for non-stationary and nonlinear simulations on arbitrary meshes

Tobias Würth, Niklas Freymuth, Clemens Zimmerling, Gerhard Neumann, Luise Kärger
Preprint · 2024

2023

Swarm Reinforcement Learning for Adaptive Mesh Refinement

Swarm Reinforcement Learning for Adaptive Mesh Refinement

Niklas Freymuth, Philipp Dahlinger, Tobias Daniel Würth, Simon Reisch, Luise Kärger, Gerhard Neumann
NeurIPS · 2023
Grounding Graph Network Simulators using Physical Sensor Observations

Grounding Graph Network Simulators using Physical Sensor Observations

Jonas Linkerhägner, Niklas Freymuth, Paul Maria Scheikl, Franziska Mathis-Ullrich, Gerhard Neumann
ICLR · 2023