From Word2Vec to Transformers: Text-Derived Composition Embeddings for Filtering Combinatorial Electrocatalysts
Compositionally complex solid solution electrocatalysts span vast composition spaces, and even one materials system can contain more candidate compositions than can be measured exhaustively. Here we evaluate a label-free screening strategy that represents each composition using embeddings derived from scientific texts and prioritizes candidates based on similarity to two property concepts. We compare a corpus-trained Word2Vec baseline with transformer-based embeddings, where compositions are encoded either by linear element-wise mixing or by short composition prompts. Similarities to `concept directions', the terms conductivity and dielectric, define a 2-dimensional descriptor space, and ...
| Authors | Lei Zhang, Markus Stricker |
|---|---|
| Primary category | cond-mat.mtrl-sci |
| Published | 9 March 2026 |
| Last updated at source | 9 March 2026 |
Silytics shows public metadata from arXiv and links to the original. Information may be incomplete or out of date. Last refreshed 17 October 2026. Licenses and terms of the original apply to the work itself. Not financial, legal or professional advice.