1 citations · 2 across the 5 of their papers we have counts for
7 papers
Which alloy composition,what process parameters? Inferring the recipe from optimized metallic microstructure and texture
Mahish K. Guru, Jan Bohlen, Louam Lemjid +3
The mechanical properties of a metallic alloy are set by its microstructure and texture: the size and shape of its grains and the orientation of their crystals. That structure is i…
Molecular Déjà Vu: Digit-Level Retrieval of Molecular Properties in Frontier Language Models
Matthias Busch, Marius Tacke, Sviatlana V. Lamaka +4
Large language models (LLMs) are increasingly employed to predict molecular properties. However, prediction error alone cannot distinguish prediction from retrieval of published va…
LLM-driven design of physics-constrained constitutive models: two agents are better than one
Marius Tacke, Matthias Busch, Kian Abdolazizi +4
Developing constitutive models that capture how materials deform under load traditionally requires years of specialized expertise in continuum mechanics, machine learning, and scie…
In-Context Molecular Property Prediction with LLMs: A Blinding Study on Memorization and Knowledge Conflicts
Matthias Busch, Marius Tacke, Sviatlana V. Lamaka +4
The capabilities of large language models (LLMs) have expanded beyond natural language processing to scientific prediction tasks, including molecular property prediction. However,…
Automating modeling in mechanics: LLMs as designers of physics-constrained neural networks for constitutive modeling of materials
Marius Tacke, Matthias Busch, Kian Abdolazizi +4
Large language model (LLM)-based agentic frameworks increasingly adopt the paradigm of dynamically generating task-specific agents. We suggest that not only agents but also special…
Machine-learned domain partitioning for computationally efficient coupling of continuum and particle simulations of membrane fabrication
Matthias Busch, Gregor Häfner, Jiayu Xie +4
All simulation approaches eventually face limits in computational scalability when applied to large spatiotemporal domains. This challenge becomes especially apparent in molecular-…
Active partitioning: inverting the paradigm of active learning
Marius Tacke, Matthias Busch, Kevin Linka +2
Datasets often incorporate various functional patterns related to different aspects or regimes, which are typically not equally present throughout the dataset. We propose a novel,…