Why progress in multi-objective materials design via machine learning depends on integrated data infrastructure
Machine learning is transforming materials discovery, yet its impact on multi-objective optimisation remains constrained by the structure and quality of input data. Despite the growing use of advanced predictive models, most studies rely on single-property datasets developed for specific purposes and not designed for cross-domain integration. Fragmented descriptors, inconsistent metadata, and missing values prevent models from learning relationships across properties and material classes, limiting effective optimisation. This perspective focuses on data-driven materials informatics (with an emphasis on metal alloys) and contends that progress in multi-objective materials design relies on integrated, reliable data infrastructures that enable cross-domain learning and support practical optimisation. We demonstrate this by unifying fragmented mechanical and corrosion databases into a single resource for multi-objective design of multi-principal element alloys. Machine learning promises accelerated materials discovery, but fragmented and inconsistent datasets continue to limit effective multi-objective optimisation across materials systems. In this Perspective, the authors argue that integrated data infrastructures are essential for cross-domain learning and demonstrate this by unifying mechanical and corrosion databases to enable the multi-objective design of multi-principal element alloys.
Authors
- N. Birbilis (ORCID: https://orcid.org/0000-0002-7910-7470)
- W. T. Nash
- R. Vasa
- M. Ghorbani
- S. A. Tawfik
Institutions
- Deakin University (AU)
Publication Details
- Journal
- Communications Materials
- Published
- 2026-11-11
- DOI
- https://doi.org/10.1038/s43246-026-01426-0
- Primary Topic
- Machine Learning in Materials Science
- Type
- article
- Field-Weighted Citation Impact
- 0.00