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Inferring effective electrostatic interaction of charge‐stabilized colloids from scattering using deep learning.

Authors :
Tung, Chi-Huan
Chen, Meng-Zhe
Chen, Hsin-Lung
Huang, Guan-Rong
Porcar, Lionel
Chang, Ming-Ching
Carrillo, Jan-Michael
Wang, Yangyang
Sumpter, Bobby G.
Shinohara, Yuya
Do, Changwoo
Chen, Wei-Ren
Source :
Journal of Applied Crystallography; Aug2024, Vol. 57 Issue 4, p1047-1058, 12p
Publication Year :
2024

Abstract

An innovative strategy is presented that incorporates deep auto‐encoder networks into a least‐squares fitting framework to address the potential inversion problem in small‐angle scattering. To evaluate the performance of the proposed approach, a detailed case study focusing on charged colloidal suspensions was carried out. The results clearly indicate that a deep learning solution offers a reliable and quantitative method for studying molecular interactions. The approach surpasses existing deterministic approaches with respect to both numerical accuracy and computational efficiency. Overall, this work demonstrates the potential of deep learning techniques in tackling complex problems in soft‐matter structures and beyond. [ABSTRACT FROM AUTHOR]

Details

Language :
English
ISSN :
00218898
Volume :
57
Issue :
4
Database :
Complementary Index
Journal :
Journal of Applied Crystallography
Publication Type :
Academic Journal
Accession number :
178834688
Full Text :
https://doi.org/10.1107/S1600576724004515