Scientific Computing and Data ManagementMachine Learning in Materials ScienceSemantic Web and Ontologies

Sameer Sadruddin, Jennifer D'Souza, Eleni Poupaki, Alex Watkins, Bora Karasulu, Sören Auer, Adrie Mackus, Erwin Kessels

2026.4.25Semantic Web

DOI: 10.1177/22104968261431521

Abstract

Scientific processes are often described in free text, making it difficult to represent and reason over them computationally. We present schema-miner p r o , a human-in-the-loop framework that automatically extracts and grounds structured schemas from scientific literature. Our approach combines large language models for schema extraction with an agent-based system that aligns extracted elements to external ontologies through interpretable, multi-step reasoning. The agent leverages lexical heuristics, semantic similarity, and expert feedback to ensure accurate grounding. We demonstrate the framework on two semiconductor manufacturing workflows—atomic layer deposition and atomic layer etching—mapping process parameters and outputs to the QUDT (Quantities, Units, Dimensions, and Types) ontology. By producing ontology-aligned, semantically precise schemas, schema-miner p r o lays the groundwork for machine-actionable scientific knowledge and automated reasoning across disciplines.

Citation format

SADRUDDIN, Sameer, et al. Schema-miner pro: Agentic AI for ontology grounding over LLM-Discovered scientific schemas in a human-in-the-loop workflow. Semantic Web, 2026, 17(3).