Explainable Artificial Intelligence (XAI): Concepts, taxonomies, opportunities and challenges toward responsible AI

AB Arrieta, N Díaz-Rodríguez, J Del Ser, A Bennetot… - Information fusion, 2020 - Elsevier
In the last few years, Artificial Intelligence (AI) has achieved a notable momentum that, if
harnessed appropriately, may deliver the best of expectations over many application sectors …

Colloquium: Machine learning in nuclear physics

A Boehnlein, M Diefenthaler, N Sato, M Schram… - Reviews of modern …, 2022 - APS
Advances in machine learning methods provide tools that have broad applicability in
scientific research. These techniques are being applied across the diversity of nuclear …

New concepts in electrolytes

M Li, C Wang, Z Chen, K Xu, J Lu - Chemical reviews, 2020 - ACS Publications
Over the past decades, Li-ion battery (LIB) has turned into one of the most important
advances in the history of technology due to its extensive and in-depth impact on our life. Its …

Recent advances and applications of machine learning in solid-state materials science

J Schmidt, MRG Marques, S Botti… - npj computational …, 2019 - nature.com
One of the most exciting tools that have entered the material science toolbox in recent years
is machine learning. This collection of statistical methods has already proved to be capable …

Retrospective on a decade of machine learning for chemical discovery

OA von Lilienfeld, K Burke - Nature communications, 2020 - nature.com
Standfirst Over the last decade, we have witnessed the emergence of ever more machine
learning applications in all aspects of the chemical sciences. Here, we highlight specific …

Machine learning in materials science

J Wei, X Chu, XY Sun, K Xu, HX Deng, J Chen, Z Wei… - InfoMat, 2019 - Wiley Online Library
Traditional methods of discovering new materials, such as the empirical trial and error
method and the density functional theory (DFT)‐based method, are unable to keep pace …

Machine learning assisted materials design and discovery for rechargeable batteries

Y Liu, B Guo, X Zou, Y Li, S Shi - Energy Storage Materials, 2020 - Elsevier
Abstract Machine learning plays an important role in accelerating the discovery and design
process for novel electrochemical energy storage materials. This review aims to provide the …

Data‐driven materials science: status, challenges, and perspectives

L Himanen, A Geurts, AS Foster, P Rinke - Advanced Science, 2019 - Wiley Online Library
Data‐driven science is heralded as a new paradigm in materials science. In this field, data is
the new resource, and knowledge is extracted from materials datasets that are too big or …

Graph networks as a universal machine learning framework for molecules and crystals

C Chen, W Ye, Y Zuo, C Zheng, SP Ong - Chemistry of Materials, 2019 - ACS Publications
Graph networks are a new machine learning (ML) paradigm that supports both relational
reasoning and combinatorial generalization. Here, we develop universal MatErials Graph …

Informed machine learning–a taxonomy and survey of integrating prior knowledge into learning systems

L Von Rueden, S Mayer, K Beckh… - … on Knowledge and …, 2021 - ieeexplore.ieee.org
Despite its great success, machine learning can have its limits when dealing with insufficient
training data. A potential solution is the additional integration of prior knowledge into the …