A literature-guided descriptor-based framework for filtering composition search spaces
cs.CL, cond-mat.mtrl-sci
Submitted: 2026-09-14
Updated: 2026-09-14
Comments: 14 pages, 3 figures, 2 tables, appendix
License: http://creativecommons.org/licenses/by-sa/4.0/
The gist: Scientific literature contains latent knowledge about materials behavior, but much of this knowledge is expressed through words, contexts, and recurring associations rather than explicit design
Abstract
Scientific literature contains latent knowledge about materials behavior, but much of this knowledge is expressed through words, contexts, and recurring associations rather than explicit design principles. This raises a central question: how can large-scale scientific corpora be used for practical problems in materials discovery? Here, we present a literature-guided descriptor-based filtering framework for reducing composition search spaces. For a given performance metric, the framework selects two descriptors from a filtered vocabulary in a literature-trained word embedding model and uses the selected descriptors to construct a Pareto-based filter for candidate compositions. Across the evaluated performance metrics and composition search spaces, the framework filters out an average of 74.27% of the candidate compositions, with an average best-value error of 1.93% relative to experimental measurements. Compared with expert-chosen and random descriptors, our performance metric-dependent descriptors provide a more controlled balance between retained fraction and best-value error. These results show that literature-derived embeddings can support intuitive and reproducible filters for narrowing candidate composition spaces while preserving high-performing compositions.
Related papers
- Exploring Solution Divergence and Its Effect on Large Language Model Problem Solving
- Ishigaki-IDS-Bench: A Benchmark for Generating Information Delivery Specification from BIM Information Requirements
- Subliminal Steering: Stronger Encoding of Hidden Signals
- MedStruct-S: A Benchmark for Key Discovery, Key-Conditioned QA and Semi-Structured Extraction from OCR Clinical Reports
- The End of Transformers? On Challenging Attention and the Rise of Sub-Quadratic Architectures
- Untangling the Mechanisms of Misleading Context in Medical Question Answering