The AnIML Ontology: Enabling Semantic Interoperability for Large-Scale Experimental Data in Interconnected Scientific Labs

Achieving semantic interoperability across heterogeneous experimental data systems remains a major barrier to data-driven scientific discovery. The Analytical Information Markup Language (AnIML), a flexible XML-based standard for analytical chemistry and biology, is increasingly used in industrial R&D labs for managing and exchanging experimental data. However, the expressivity of the XML schema permits divergent interpretations across stakeholders, introducing inconsistencies that undermine the interoperability the AnIML schema was designed to support. In this paper, we present the AnIML Ontology, an OWL 2 ontology that formalises the semantics of AnIML and aligns it with the Allotrope Data Format to support future cross-system and cross-lab interoperability. The ontology was developed using an expert-in-the-loop approach combining LLM-assisted requirement elicitation with collaborative ontology engineering. We validate the ontology through a multi-layered approach: data-driven transformation of real-world AnIML files into knowledge graphs, competency question verification via SPARQL, and a novel validation protocol based on adversarial negative competency questions mapped to established ontological anti-patterns and enforced via SHACL constraints.

IDEA2: Expert-in-the-loop competency question elicitation for collaborative ontology engineering

Competency question (CQ) elicitation represents a critical but resource-intensive bottleneck in ontology engineering. This foundational phase is often hampered by the communication gap between domain experts, who possess the necessary knowledge, and ontology engineers, who formalise it. This paper introduces IDEA2, a novel, semi-automated workflow that integrates Large Language Models (LLMs) within a collaborative, expert-in-the-loop process to address this challenge. The methodology is characterised by a core iterative loop: an initial LLM-based extraction of CQs from requirement documents, a co-creational review and feedback phase by domain experts on an accessible collaborative platform, and an iterative, feedback-driven reformulation of rejected CQs by an LLM until consensus is achieved. To ensure transparency and reproducibility, the entire lifecycle of each CQ is tracked using a provenance model that captures the full lineage of edits, anonymised feedback, and generation parameters. The workflow was validated in 2 real-world scenarios (scientific data, cultural heritage), demonstrating that IDEA2 can accelerate the requirements engineering process, improve the acceptance and relevance of the resulting CQs, and exhibit high usability and effectiveness among domain experts. We release all code and experiments at https://github.com/KE-UniLiv/IDEA2