Graph theory and graph neural network assisted high-throughput crystal structure prediction and screening for energy conversion and storage

J Ojih, M Al-Fahdi, Y Yao, J Hu, M Hu - Journal of Materials Chemistry …, 2024 - pubs.rsc.org
Prediction of crystal structures with desirable material properties is a grand challenge in
materials research, due to the enormous search space of possible combinations of elements …

Structure-based out-of-distribution (OOD) materials property prediction: a benchmark study

SS Omee, N Fu, R Dong, M Hu, J Hu - npj Computational Materials, 2024 - nature.com
In real-world materials research, machine learning (ML) models are usually expected to
predict and discover novel exceptional materials that deviate from the known materials. It is …

[HTML][HTML] Unleashing the power of artificial intelligence in phonon thermal transport: Current challenges and prospects

M Hu - Journal of Applied Physics, 2024 - pubs.aip.org
The discovery of advanced thermal materials with exceptional phonon properties drives
technological advancements, impacting innovations from electronics to superconductors …

Realistic material property prediction using domain adaptation based machine learning

J Hu, D Liu, N Fu, R Dong - Digital Discovery, 2024 - pubs.rsc.org
Materials property prediction models are usually evaluated using random splitting of
datasets into training and test datasets, which not only leads to over-estimated performance …

[HTML][HTML] High throughput substrate screening for interfacial thermal management of β-Ga2O3 by deep convolutional neural network

M Al-Fahdi, M Hu - Journal of Applied Physics, 2024 - pubs.aip.org
Electronic devices get smaller and smaller in every generation. In micro-/nano-electronic
devices such as high electron mobility transistors, heat dissipation has become a crucial …

Improving realistic material property prediction using domain adaptation based machine learning

J Hu, D Hu, N Fu, R Dong - arXiv preprint arXiv:2308.02937, 2023 - arxiv.org
Materials property prediction models are usually evaluated using random splitting of
datasets into training and test datasets, which not only leads to over-estimated performance …

Benchmarking phonon anharmonicity in machine learning interatomic potentials

S Bandi, C Jiang, CA Marianetti - arXiv preprint arXiv:2402.18891, 2024 - arxiv.org
Machine learning approaches have recently emerged as powerful tools to probe structure-
property relationships in crystals and molecules. Specifically, Machine learning interatomic …

Neural Networks-based Image Denoising Methods

M Wang - 2023 - preprints.org
Image denoising has been one of the important problems in the field of computer vision, and
it has a wide range of practical value in many applications, such as medical image …

Non-Customized Data Asset Evaluation Based on Knowledge Graph and Value Entropy

W Zhang, Y Gong, Z Li, Y Xue - Available at SSRN 4693863 - papers.ssrn.com
With the rapid growth of non-customized data assets, how to assess their value accurately
and objectively has become the focus of current research. Existing studies have shown that …