Exclusive Neural Network Representation of the Quasi-Diabatic Hamiltonians Including Conical Intersections

2020 ◽  
Vol 11 (18) ◽  
pp. 7552-7558 ◽  
Author(s):  
Yingyue Hong ◽  
Zhengxi Yin ◽  
Yafu Guan ◽  
Zhaojun Zhang ◽  
Bina Fu ◽  
...  
2021 ◽  
Author(s):  
Thang Tran ◽  
Peter Lai ◽  
Wei-Ching Wang ◽  
Amaris Rosa ◽  
Feruza Amirkulova ◽  
...  

2020 ◽  
Vol 22 (28) ◽  
pp. 16165-16173
Author(s):  
Hangbo Zhou ◽  
Gang Zhang ◽  
Yong-Wei Zhang

We perform quantum master equation calculations and machine learning to investigate the thermoelectric properties of multiple interacting quantum dots, including electrical conductance, Seebeck coefficient, thermal conductance and ZT.


Author(s):  
Bolin Chen ◽  
Yourui Han ◽  
Xuequn Shang ◽  
Shenggui Zhang

The identification of disease related genes plays essential roles in bioinformatics. To achieve this, many powerful machine learning methods have been proposed from various computational aspects, such as biological network analysis, classification, regression, deep learning, etc. Among them, deep learning based methods have gained big success in identifying disease related genes in terms of higher accuracy and efficiency. However, these methods rarely handle the following two issues very well, which are (1) the multifunctions of many genes; and (2) the scale-free property of biological networks. To overcome these, we propose a novel network representation method to transfer individual vertices together with their surrounding topological structures into image-like datasets. It takes each node-induced sub-network as a represented candidate, and adds its environmental characteristics to generate a low-dimensional space as its representation. This image-like datasets can be applied directly in a Convolutional Neural Network-based method for identifying cancer-related genes. The numerical experiments show that the proposed method can achieve the AUC value at 0.9256 in a single network and at 0.9452 in multiple networks, which outperforms many existing methods.


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