Small data machine learning in materials science

P Xu, X Ji, M Li, W Lu - npj Computational Materials, 2023 - nature.com
This review discussed the dilemma of small data faced by materials machine learning. First,
we analyzed the limitations brought by small data. Then, the workflow of materials machine …

Toward autonomous laboratories: Convergence of artificial intelligence and experimental automation

Y Xie, K Sattari, C Zhang, J Lin - Progress in Materials Science, 2023 - Elsevier
The ever-increasing demand for novel materials with superior properties inspires retrofitting
traditional research paradigms in the era of artificial intelligence and automation. An …

Structured information extraction from scientific text with large language models

J Dagdelen, A Dunn, S Lee, N Walker… - Nature …, 2024 - nature.com
Extracting structured knowledge from scientific text remains a challenging task for machine
learning models. Here, we present a simple approach to joint named entity recognition and …

Extracting accurate materials data from research papers with conversational language models and prompt engineering

MP Polak, D Morgan - Nature Communications, 2024 - nature.com
There has been a growing effort to replace manual extraction of data from research papers
with automated data extraction based on natural language processing, language models …

Precursor recommendation for inorganic synthesis by machine learning materials similarity from scientific literature

T He, H Huo, CJ Bartel, Z Wang, K Cruse, G Ceder - Science advances, 2023 - science.org
Synthesis prediction is a key accelerator for the rapid design of advanced materials.
However, determining synthesis variables such as the choice of precursor materials is …

Artificial Intelligence for Surface‐Enhanced Raman Spectroscopy

X Bi, L Lin, Z Chen, J Ye - Small methods, 2024 - Wiley Online Library
Surface‐enhanced Raman spectroscopy (SERS), well acknowledged as a fingerprinting
and sensitive analytical technique, has exerted high applicational value in a broad range of …

Machine-learning rationalization and prediction of solid-state synthesis conditions

H Huo, CJ Bartel, T He, A Trewartha, A Dunn… - Chemistry of …, 2022 - ACS Publications
There currently exist no quantitative methods to determine the appropriate conditions for
solid-state synthesis. This not only hinders the experimental realization of novel materials …

Precursor Symmetry Triggered Modulation of Fluorescence Quantum Yield in Graphene Quantum Dots

L Chen, S Yang, Y Li, Z Liu, H Wang… - Advanced Functional …, 2024 - Wiley Online Library
Although various effective machine‐learning attempts have been made to investigate the
photoluminescence properties of graphene quantum dots (GQDs) or carbon dots, the …

The promise and pitfalls of AI for molecular and materials synthesis

N David, W Sun, CW Coley - Nature Computational Science, 2023 - nature.com
As artificial intelligence (AI) proliferates, synthetic chemistry stands to benefit from its
progress. Despite hidden variables and 'unknown unknowns' in datasets that may impede …

Interpretable machine learning enabled inorganic reaction classification and synthesis condition prediction

C Karpovich, E Pan, Z Jensen, E Olivetti - Chemistry of Materials, 2023 - ACS Publications
Data-driven synthesis planning with machine learning is a key step in the design and
discovery of novel inorganic compounds with desirable properties. Inorganic materials …