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 …
we analyzed the limitations brought by small data. Then, the workflow of materials machine …
Toward autonomous laboratories: Convergence of artificial intelligence and experimental automation
The ever-increasing demand for novel materials with superior properties inspires retrofitting
traditional research paradigms in the era of artificial intelligence and automation. An …
traditional research paradigms in the era of artificial intelligence and automation. An …
Structured information extraction from scientific text with large language models
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 …
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
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 …
with automated data extraction based on natural language processing, language models …
Precursor recommendation for inorganic synthesis by machine learning materials similarity from scientific literature
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 …
However, determining synthesis variables such as the choice of precursor materials is …
Artificial Intelligence for Surface‐Enhanced Raman Spectroscopy
Surface‐enhanced Raman spectroscopy (SERS), well acknowledged as a fingerprinting
and sensitive analytical technique, has exerted high applicational value in a broad range of …
and sensitive analytical technique, has exerted high applicational value in a broad range of …
Machine-learning rationalization and prediction of solid-state synthesis conditions
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 …
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
Although various effective machine‐learning attempts have been made to investigate the
photoluminescence properties of graphene quantum dots (GQDs) or carbon dots, the …
photoluminescence properties of graphene quantum dots (GQDs) or carbon dots, the …
The promise and pitfalls of AI for molecular and materials synthesis
As artificial intelligence (AI) proliferates, synthetic chemistry stands to benefit from its
progress. Despite hidden variables and 'unknown unknowns' in datasets that may impede …
progress. Despite hidden variables and 'unknown unknowns' in datasets that may impede …
Interpretable machine learning enabled inorganic reaction classification and synthesis condition prediction
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 …
discovery of novel inorganic compounds with desirable properties. Inorganic materials …