Guangcun Shan

Haoyi Tan, Yukun Teng, Guangcun Shan

The removal of leaked radioactive iodine isotopes in humid environments holds significant importance in nuclear waste management and nuclear accident mitigation. In this study, high-throughput computational screening and machine learning were combined to reveal the iodine capture performance of 1816 metal-organic framework (MOF) materials under humid air conditions. Firstly, the relationship between the structural characteristics of MOFs and their adsorption properties was explored, with the aim of identifying the optimal structural parameters for iodine capture. Subsequently, two machine learning regression algorithms - Random Forest and CatBoost, were employed to predict the iodine adsorption capabilities of MOFs. In addition to 6 structural features, 25 molecular features and 8 chemical features were incorporated to enhance the prediction accuracy of the machine learning algorithms. Feature importance was assessed to determine the relative influence of various features on iodine adsorption performance, in which the Henry's coefficient and heat of adsorption to iodine were found the two most crucial chemical factors. Furthermore, four types of molecular fingerprints were introduced for providing comprehensive and detailed structural information of MOF materials. The top 20 most significant MACCS molecular fingerprints were picked out, revealing that the presence of six-membered ring structures and nitrogen atoms in the MOFs were the key structural factors that enhanced iodine adsorption, followed by the existence of oxygen atoms. This work combined high-throughput computation, machine learning, and molecular fingerprints to comprehensively elucidate the multifaceted factors influencing the iodine adsorption performance of MOFs, offering profound insightful guidelines for screening and structural design of advanced MOF materials.

Lu Han, G. C. Shan, B. F. Chu et al.

The novel coronavirus disease, named COVID-19, emerged in China in December 2019, and has rapidly spread around the world. It is clearly urgent to fight COVID-19 at global scale. The development of methods for identifying drug uses based on phenotypic data can improve the efficiency of drug development. However, there are still many difficulties in identifying drug applications based on cell picture data. This work reported one state-of-the-art machine learning method to identify drug uses based on the cell image features of 1024 drugs generated in the LINCS program. Because the multi-dimensional features of the image are affected by non-experimental factors, the characteristics of similar drugs vary greatly, and the current sample number is not enough to use deep learning and other methods are used for learning optimization. As a consequence, this study is based on the supervised ITML algorithm to convert the characteristics of drugs. The results show that the characteristics of ITML conversion are more conducive to the recognition of drug functions. The analysis of feature conversion shows that different features play important roles in identifying different drug functions. For the current COVID-19, Chloroquine and Hydroxychloroquine achieve antiviral effects by inhibiting endocytosis, etc., and were classified to the same community. And Clomiphene in the same community inibited the entry of Ebola Virus, indicated a similar MoAs that could be reflected by cell image.

Hongyu Wang, Guangcun Shan

In this paper, a robust multiscale neural network is proposed to recognize handwritten mathematical expressions and output LaTeX sequences, which can effectively and correctly focus on where each step of output should be concerned and has a positive effect on analyzing the two-dimensional structure of handwritten mathematical expressions and identifying different mathematical symbols in a long expression. With the addition of visualization, the model's recognition process is shown in detail. In addition, our model achieved 49.459% and 46.062% ExpRate on the public CROHME 2014 and CROHME 2016 datasets. The present model results suggest that the state-of-the-art model has better robustness, fewer errors, and higher accuracy.

Guangcun Shan, Hongyu Wang, Wei Liang et al.

Recently, deep learning technology have been extensively used in the field of image recognition. However, its main application is the recognition and detection of ordinary pictures and common scenes. It is challenging to effectively and expediently analyze remote-sensing images obtained by the image acquisition systems on unmanned aerial vehicles (UAVs), which includes the identification of the target and calculation of its position. Aerial remote sensing images have different shooting angles and methods compared with ordinary pictures or images, which makes remote-sensing images play an irreplaceable role in some areas. In this study, a new target detection and recognition method in remote-sensing images is proposed based on deep convolution neural network (CNN) for the provision of multilevel information of images in combination with a region proposal network used to generate multiangle regions-of-interest. The proposed method generated results that were much more accurate and precise than those obtained with traditional ways. This demonstrated that the model proposed herein displays tremendous applicability potential in remote-sensing image recognition.

Tian Wang, Shiye Lei, Youyou Jiang et al.

Temporal action recognition always depends on temporal action proposal generation to hypothesize actions and algorithms usually need to process very long video sequences and output the starting and ending times of each potential action in each video suffering from high computation cost. To address this, based on boundary sensitive network we propose a new temporal convolution network called Multipath Temporal ConvNet (MTN), which consists of two parts i.e. Multipath DenseNet and SE-ConvNet. In this work, one novel high performance ring parallel architecture based on Message Passing Interface (MPI) is further introduced into temporal action proposal generation, which is a reliable communication protocol, in order to respond to the requirements of large memory occupation and a large number of videos. Remarkably, the total data transmission is reduced by adding a connection between multiple computing load in the newly developed architecture. It is found that, compared to the traditional Parameter Server architecture, our parallel architecture has higher efficiency on temporal action detection task with multiple GPUs, which is suitable for dealing with the tasks of temporal action proposal generation, especially for large datasets of millions of videos. We conduct experiments on ActivityNet-1.3 and THUMOS14, where our method outperforms other state-of-art temporal action detection methods with high recall and high temporal precision. In addition, a time metric is further proposed here to evaluate the speed performance in the distributed training process.

Tian Wang, Zichen Miao, Yuxin Chen et al.

It is challenging to detect the anomaly in crowded scenes for quite a long time. In this paper, a self-supervised framework, abnormal event detection network (AED-Net), which is composed of PCAnet and kernel principal component analysis (kPCA), is proposed to address this problem. Using surveillance video sequences of different scenes as raw data, PCAnet is trained to extract high-level semantics of crowd's situation. Next, kPCA,a one-class classifier, is trained to determine anomaly of the scene. In contrast to some prevailing deep learning methods,the framework is completely self-supervised because it utilizes only video sequences in a normal situation. Experiments of global and local abnormal event detection are carried out on UMN and UCSD datasets, and competitive results with higher EER and AUC compared to other state-of-the-art methods are observed. Furthermore, by adding local response normalization (LRN) layer, we propose an improvement to original AED-Net. And it is proved to perform better by promoting the framework's generalization capacity according to the experiments.