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 …
Knowledge-integrated machine learning for materials: lessons from gameplaying and robotics
As materials researchers increasingly embrace machine-learning (ML) methods, it is natural
to wonder what lessons can be learned from other fields undergoing similar developments …
to wonder what lessons can be learned from other fields undergoing similar developments …
Machine learning enables interpretable discovery of innovative polymers for gas separation membranes
Polymer membranes perform innumerable separations with far-reaching environmental
implications. Despite decades of research, design of new membrane materials remains a …
implications. Despite decades of research, design of new membrane materials remains a …
Phonon-engineered extreme thermal conductivity materials
Materials with ultrahigh or low thermal conductivity are desirable for many technological
applications, such as thermal management of electronic and photonic devices, heat …
applications, such as thermal management of electronic and photonic devices, heat …
Applied machine learning as a driver for polymeric biomaterials design
SM McDonald, EK Augustine, Q Lanners… - Nature …, 2023 - nature.com
Polymers are ubiquitous to almost every aspect of modern society and their use in medical
products is similarly pervasive. Despite this, the diversity in commercial polymers used in …
products is similarly pervasive. Despite this, the diversity in commercial polymers used in …
Machine learning the quantum-chemical properties of metal–organic frameworks for accelerated materials discovery
The modular nature of metal–organic frameworks (MOFs) enables synthetic control over
their physical and chemical properties, but it can be difficult to know which MOFs would be …
their physical and chemical properties, but it can be difficult to know which MOFs would be …
Polymer informatics: Current status and critical next steps
Artificial intelligence (AI) based approaches are beginning to impact several domains of
human life, science and technology. Polymer informatics is one such domain where AI and …
human life, science and technology. Polymer informatics is one such domain where AI and …
Predicting materials properties with little data using shotgun transfer learning
There is a growing demand for the use of machine learning (ML) to derive fast-to-evaluate
surrogate models of materials properties. In recent years, a broad array of materials property …
surrogate models of materials properties. In recent years, a broad array of materials property …
A graph representation of molecular ensembles for polymer property prediction
Synthetic polymers are versatile and widely used materials. Similar to small organic
molecules, a large chemical space of such materials is hypothetically accessible …
molecules, a large chemical space of such materials is hypothetically accessible …
Benchmarking machine learning models for polymer informatics: an example of glass transition temperature
In the field of polymer informatics, utilizing machine learning (ML) techniques to evaluate the
glass transition temperature T g and other properties of polymers has attracted extensive …
glass transition temperature T g and other properties of polymers has attracted extensive …