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.
arXiv:2607. 01977v1 Announce Type: new Abstract: Ontology learning (OL) aims to automatically construct structured knowledge models from text, yet progress remains fragmented across methods, domains, and evaluation practices.
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.
arXiv:2608.31118v1 Announce Type: new Abstract: The effect of Large Language Model (LLM) scale on ontology learning (OL) performance remains insufficiently characterized. We present a controlled eval...
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.
arXiv:2608.22974v1 Announce Type: new Abstract: Large language model (LLM) agents rely heavily on knowledge encoded in model parameters or presented as unstructured context. In domain-specific tasks,...
arXiv:2605. 22093v3 Announce Type: replace Abstract: Knowledge graphs have become the primary vehicle for data integration and are critical to the success of modern AI, but the diversity of KG modelling practices, from lightweight vocabularies to richly axiomatised ontologies, makes integration and reuse expensive and brittle.
arXiv:2607. 15776v1 Announce Type: new Abstract: OWL ontologies provide a formal knowledge representation framework that enables semantic reasoning, and have been widely adopted across domains such as healthcare and bioinformatics.
arXiv:2610.01393v1 Announce Type: cross Abstract: Constructing typed, justified semantic links between ontologies is essential for enabling interoperability across heterogeneous and interdisciplinary...
arXiv:2607. 07708v1 Announce Type: cross Abstract: Structure-property relationships are foundational to biology, chemistry and materials science, where function, reactivity and physical response emerge from spatial, chemical and periodic organization.
The paper introduces ChemOntoRule, a symbolic core designed to aid AI in solving school‑level chemistry problems. It uses a task‑centric ontology built around the specific concepts and procedures needed for a defined set of problems, combined with deterministic Python rules for electronic structure, periodic trends, oxidation states, and related reasoning patterns. Evaluated on 300 human‑authored problems, the system matched 296 reference answers (98.67%), with the ontology‑driven rules covering 269 problems and achieving 98.88% accuracy.
arXiv:2606. 30961v1 Announce Type: cross Abstract: Advances in deep learning architectures and representations have enabled ML-driven chemical property prediction, but state-of-the-art (SOTA) models have remained largely confined to independent codebases and lack support for diverse chemical species.
arXiv:2606. 14814v1 Announce Type: cross Abstract: The Materials Science and Engineering ontology landscape is fragmented along multiple axes simultaneously.