FRINK Linked Data Fragments server

Matches in SemOpenAlex for { <https://semopenalex.org/work/W3176069906> ?p ?o ?g. }

• W3176069906 abstract "Abstract In recent years, we have witnessed a widespread application of machine learning techniques in the field of materials science, owing to the increased availability of research data and sophisticated algorithms. At the core of this technology lies the ability to encode material structures into descriptors that are understandable for a computer. Although significant advances have been made in this area, there is a continued need to explore efficient structure‐encoding strategies so as to maximize the predictive power of the machine learning models. Here we present a revision of the exciting progress in four representative structural features that are capable of describing the structures of diverse materials: structure graph, Coulomb matrix, topological descriptor, and diffraction fingerprint. Particular attention is given to the studies of crystalline solids, which appear more challenging to be encoded than molecules. By summarizing previous works and presenting critical appraisals of these descriptors, this review could offer some guideline for the selection of structural features and stimulate inspiration for the design of powerful descriptors suited towards different tasks. This article is categorized under: Structure and Mechanism > Computational Materials Science Data Science > Artificial Intelligence/Machine Learning" @default.
• W3176069906 created "2021-07-05" @default.
• W3176069906 creator A5021329144 @default.
• W3176069906 creator A5032780084 @default.
• W3176069906 creator A5034454937 @default.
• W3176069906 creator A5038600944 @default.
• W3176069906 creator A5054656207 @default.
• W3176069906 creator A5055477551 @default.
• W3176069906 date "2021-06-18" @default.
• W3176069906 modified "2023-10-15" @default.
• W3176069906 title "Encoding the atomic structure for machine learning in materials science" @default.
• W3176069906 cites W1124112037 @default.
• W3176069906 cites W1531674615 @default.
• W3176069906 cites W1678620623 @default.
• W3176069906 cites W1750848328 @default.
• W3176069906 cites W1757990252 @default.
• W3176069906 cites W1812560530 @default.
• W3176069906 cites W1901616594 @default.
• W3176069906 cites W1975147762 @default.
• W3176069906 cites W1975997599 @default.
• W3176069906 cites W1976492731 @default.
• W3176069906 cites W1981045787 @default.
• W3176069906 cites W1983948426 @default.
• W3176069906 cites W1988037271 @default.
• W3176069906 cites W1991566301 @default.
• W3176069906 cites W1991946967 @default.
• W3176069906 cites W1992985800 @default.
• W3176069906 cites W1998260904 @default.
• W3176069906 cites W1999033607 @default.
• W3176069906 cites W2001676859 @default.
• W3176069906 cites W2003458552 @default.
• W3176069906 cites W2008708918 @default.
• W3176069906 cites W2016979469 @default.
• W3176069906 cites W2020247546 @default.
• W3176069906 cites W2021748110 @default.
• W3176069906 cites W2024943930 @default.
• W3176069906 cites W2025444507 @default.
• W3176069906 cites W2027130342 @default.
• W3176069906 cites W2029413789 @default.
• W3176069906 cites W2034097448 @default.
• W3176069906 cites W2043012057 @default.
• W3176069906 cites W2046665435 @default.
• W3176069906 cites W2049080732 @default.
• W3176069906 cites W2050875651 @default.
• W3176069906 cites W2071280205 @default.
• W3176069906 cites W2084972556 @default.
• W3176069906 cites W2087599743 @default.
• W3176069906 cites W2092204065 @default.
• W3176069906 cites W2104489082 @default.
• W3176069906 cites W2117363206 @default.
• W3176069906 cites W2119936234 @default.
• W3176069906 cites W2121027041 @default.
• W3176069906 cites W2121076213 @default.
• W3176069906 cites W2121237359 @default.
• W3176069906 cites W2124511088 @default.
• W3176069906 cites W2134329894 @default.
• W3176069906 cites W2137046086 @default.
• W3176069906 cites W2137262074 @default.
• W3176069906 cites W2140852996 @default.
• W3176069906 cites W2159357141 @default.
• W3176069906 cites W2162653998 @default.
• W3176069906 cites W2164524421 @default.
• W3176069906 cites W2169678694 @default.
• W3176069906 cites W2177317049 @default.
• W3176069906 cites W2197550433 @default.
• W3176069906 cites W2213735563 @default.
• W3176069906 cites W2290847742 @default.
• W3176069906 cites W2315678872 @default.
• W3176069906 cites W2316351572 @default.
• W3176069906 cites W2320843548 @default.
• W3176069906 cites W2334013383 @default.
• W3176069906 cites W2337110853 @default.
• W3176069906 cites W2338402873 @default.
• W3176069906 cites W2338430535 @default.
• W3176069906 cites W2344174278 @default.
• W3176069906 cites W2345010043 @default.
• W3176069906 cites W2352719088 @default.
• W3176069906 cites W2464725281 @default.
• W3176069906 cites W2481594651 @default.
• W3176069906 cites W2509907061 @default.
• W3176069906 cites W2527189750 @default.
• W3176069906 cites W2558999090 @default.
• W3176069906 cites W2561981131 @default.
• W3176069906 cites W2565212977 @default.
• W3176069906 cites W2567534979 @default.
• W3176069906 cites W2585556182 @default.
• W3176069906 cites W2607941059 @default.
• W3176069906 cites W2613791983 @default.
• W3176069906 cites W2617669016 @default.
• W3176069906 cites W2625386340 @default.
• W3176069906 cites W2733638363 @default.
• W3176069906 cites W2741292700 @default.
• W3176069906 cites W2741557496 @default.
• W3176069906 cites W2741906484 @default.
• W3176069906 cites W2753962198 @default.
• W3176069906 cites W2757878424 @default.
• W3176069906 cites W2765398234 @default.
• W3176069906 cites W2766856748 @default.
• W3176069906 cites W2778051509 @default.
• W3176069906 cites W2786791309 @default.

• next