Automatically Building and Updating a Knowledge Graph of MLIP Models
Complementing the many efforts in providing semantic representations of concepts, notions, and entities in materials science, we report and illustrate a process by which we can automatically build a knowledge graph of the fast evolving field of machine learning applied to the prediction of material properties, focusing on MLIP (Machine Learning Interatomic Potential). This LLM-based process relies on multiple steps, from information extraction in documents and articles to a validation loop using SHACL constraints to detect and correct errors. It is carried out on a model-by-model basis, focusing on the consistency of representation, therefore enabling an iterative construction where the a...
| Authors | Alexis Beer, Liudmyla Klochko, Mathieu d'Aquin |
|---|---|
| Primary category | cs.AI |
| Published | 7 October 2026 |
| Last updated at source | 7 October 2026 |
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