arXiv AI By Daniel Hern\'andez, Jong Hyun Jung, Yuji Ikeda, Yongliang Ou, Pranav Kumar, Tom Sch\"achtel, Wenchuan Liu, Xin Li, Xi Zhang, Xiang Xu, Lifang Zhu, Fritz K\"ormann, Steffen Staab, Blazej Grabowski

An Ontology for Machine Learning Interatomic Potentials

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arXiv:2607. 23219v1 Announce Type: new Abstract: Machine learning interatomic potentials (MLIPs) approximate quantum-mechanical energies and forces---conventionally computed by density functional theory (DFT) or wave-function methods---at a fraction of the cost.

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Ontology-Grounded, Reasoner-Verified Benchmarks for Evaluating LLM Reasoning in Scientific AI

The paper introduces a pipeline that automatically creates ontology‑grounded multiple‑choice question benchmarks for evaluating large language models (LLMs) on logical reasoning tasks in scientific AI. By using OWL 2 ontologies, correct answers are guaranteed by design and distractors are generated and formally verified as incorrect through an OWL reasoner. Experiments on three ontologies—Pizza, PMDco, and DOID—yielded 112, 2,491, and 15,216 MCQs, respectively, with high natural‑language quality and challenging zero‑shot performance for six LLMs.

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Retrieval-Augmented Generation of Ontologies from Relational Databases

arXiv:2506. 01232v2 Announce Type: replace-cross Abstract: Deriving OWL ontologies from relational database schemas supports semantic interoperability and downstream tasks such as knowledge graph population, ontology-based data access, graph-based learning, and automated reasoning.

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