arXiv subjects

Victor Dudarev

Publications and source records attributed to Victor Dudarev.

4 recordsLinked to original sources

arXiv2026

Integrating Semantics into Research Data Management: Modelling and Validating Materials Science Experiment Workflows

The incorporation of Semantic Web technologies within scientific environments is becoming an increasingly popular Research Data Management (RDM) practice. While ontologies offer flexible, reusable and machine-readable vocabularies to describe domain-specific research data, Knowledge Graphs (KGs) facilitate the integration of heterogeneous data sources into an interoperable collection. Furthermore, KGs offer additional advantages, notably the use of expressive SPARQL queries, or the ability to define complex data validation rules with SHACL. This work describes the modelling of a relational RDM system with an ontology, and the subsequent construction of a KG based on it. Enabled by the highly interconnected nature of research data and experiment workflows present in the system, we not only show how we can easily and reliably build an efficient KG from such domain-specific RDM systems, but also how doing so enables more advanced use cases. This is demonstrated by the modelling of ideal counterparts for the experiment workflows logged in the KG, which are then used to programmatically generate SHACL shapes that fully validate the conformance of the latter. By integrating this functionality within a UI, we allow researchers to plan, reuse, share, and track the progress of their daily experiments.

cs.DB↗

arXiv2026

Field report from Collaborative Research Center 1625: Heterogeneous research data management using ontology representations

The goal of the Collaborative Research Center 1625 is the establishment of a scientific basis for the atomic-scale understanding and design of multifunctional compositionally complex solid solution surfaces. Next to materials synthesis in form of thin-film materials libraries, various materials characterization and simulations techniques are used to explore the materials data space of the problem. Machine learning and artificial intelligence techniques guide its exploration and navigation. The effective use of the combined heterogeneous data requires more than just a simple research data management plan. Consequently, our research data management system maps different data modalities in different formats and resolutions from different labs to the correct spatial locations on physical samples. Besides a graphical user interface, the system can also be accessed through an application programming interface for reproducible data-driven workflows. It is implemented by a combination of a custom research data management system designed around a relational database, an ontology which builds upon materials science-specific ontologies, and the construction of a Knowledge Graph. Along with the technical solutions of research data management system and lessons learned, first use cases are shown which were not possible (or at least much harder to achieve) without it.

cond-mat.mtrl-sci↗

arXiv2025

Evolve with Your Research -- Stepwise System Evolution from Document-driven to Fact-centric Research Data Management in Materials Science

The digitalisation of research requires data management systems capable of supporting a broad spectrum of usage scenarios, ranging from document-oriented repositories to fully factographic environments. This paper introduces a methodological approach for the stepwise development of such systems, illustrated by the MatInf Research Data Management System (RDMS). The proposed framework combines a graph-based STAR paradigm-emphasising Statefulness, Traceability, Aim, and Result-with the SET methodology, which enables systematic Standardisation, Extraction, and Testing of research data. Together, these principles provide a pathway towards FAIR-compliant data infrastructures, facilitating reproducibility, re-use, and integration of heterogeneous materials science data. By demonstrating the gradual consolidation of research outputs into unified datasets, this study highlights how adaptive RDMS design can support accelerated scientific discovery and enhance collaborative research in large-scale projects.

cs.DL↗

arXiv2024

MatInf -- an Extensible Open-Source Solution for Research Digitalisation in Materials Science

Information technology and data science development stimulate transformation in many fields of scientific knowledge. In recent years, a large number of specialized systems for information and knowledge management have been created in materials science. However, the development and deployment of open adaptive systems for research support in materials science based on the acquisition, storage, and processing of different types of information remains unsolved. We propose MatInf - an extensible, open-source solution for research digitalisation in materials science based on an adaptive, flexible information management system for heterogeneous data sources. MatInf can be easily adapted to any materials science laboratory and is especially useful for collaborative projects between several labs. As an example, we demonstrate its application in high-throughput experimentation.

cond-mat.mtrl-sci↗