scholarly journals Topological Distance-Based Electron Interaction Tensor: A Novel Molecular Structure Representation to Bridge Convolutional Neural Network Studies in Computer Vision to Drug-Like Compound Datasets

Author(s):  
Hyun Kil Shin

Abstract Owing to the success achieved by deep learning, researchers are exploringthe application of deep learning in drug discovery to improve the accuracy of prediction models. Significant performance improvement has been achieved by diverse convolutional neural network (CNN) models in computer vision, and the preparation of an input format suitable for CNN is one of the major questions required to be answered in order to harness the advancements in using CNNs for chemical data. It was reported that the models achieved improvement in prediction accuracy, in deep learning studies on molecular structure data; however, the improvement was insufficient from an industry perspective. Furthermore, a recent study suggested that conventional machine learning models can outperform deep learning models on chemical data. As only a limited number of feature calculation methods are available for molecules in deep learning studies, it is crucial to develop more methods to calculate features appropriate for deep learning model development.A topological distance-based electron interaction (TDEi) tensor has been introduced in this study to transform a molecular structure into image-like 3D arrays based on electron interactions (Eis) within a molecule. The prediction accuracy of the CNN model with the TDEi tensor was tested with four datasets: MP (275,131), Lipop (4,193), Esol (1,127), and Freesolv (639), and the models achieved desirable prediction accuracy. Ei is the fundamental level of information that determines the chemical properties of a molecule. Feature space variation was visualized by taking outputs from the middle of the CNN architecture as the CNN model exhibited outstanding performance in automatic feature extraction.The correlation between features from the CNN, and target endpoints was strengthened as outputs were extracted from the deeper layer of the CNN.

Sensors ◽  
2019 ◽  
Vol 19 (1) ◽  
pp. 210 ◽  
Author(s):  
Zied Tayeb ◽  
Juri Fedjaev ◽  
Nejla Ghaboosi ◽  
Christoph Richter ◽  
Lukas Everding ◽  
...  

Non-invasive, electroencephalography (EEG)-based brain-computer interfaces (BCIs) on motor imagery movements translate the subject’s motor intention into control signals through classifying the EEG patterns caused by different imagination tasks, e.g., hand movements. This type of BCI has been widely studied and used as an alternative mode of communication and environmental control for disabled patients, such as those suffering from a brainstem stroke or a spinal cord injury (SCI). Notwithstanding the success of traditional machine learning methods in classifying EEG signals, these methods still rely on hand-crafted features. The extraction of such features is a difficult task due to the high non-stationarity of EEG signals, which is a major cause by the stagnating progress in classification performance. Remarkable advances in deep learning methods allow end-to-end learning without any feature engineering, which could benefit BCI motor imagery applications. We developed three deep learning models: (1) A long short-term memory (LSTM); (2) a spectrogram-based convolutional neural network model (CNN); and (3) a recurrent convolutional neural network (RCNN), for decoding motor imagery movements directly from raw EEG signals without (any manual) feature engineering. Results were evaluated on our own publicly available, EEG data collected from 20 subjects and on an existing dataset known as 2b EEG dataset from “BCI Competition IV”. Overall, better classification performance was achieved with deep learning models compared to state-of-the art machine learning techniques, which could chart a route ahead for developing new robust techniques for EEG signal decoding. We underpin this point by demonstrating the successful real-time control of a robotic arm using our CNN based BCI.


2021 ◽  
Author(s):  
Naveen Kumari ◽  
Rekha Bhatia

Abstract Facial emotion recognition extracts the human emotions from the images and videos. As such, it requires an algorithm to understand and model the relationships between faces and facial expressions, and to recognize human emotions. Recently, deep learning models are extensively utilized enhance the facial emotion recognition rate. However, the deep learning models suffer from the overfitting issue. Moreover, deep learning models perform poorly for images which have poor visibility and noise. Therefore, in this paper, a novel deep learning based facial emotion recognition tool is proposed. Initially, a joint trilateral filter is applied to the obtained dataset to remove the noise. Thereafter, contrast-limited adaptive histogram equalization (CLAHE) is applied to the filtered images to improve the visibility of images. Finally, a deep convolutional neural network is trained. Nadam optimizer is also utilized to optimize the cost function of deep convolutional neural networks. Experiments are achieved by using the benchmark dataset and competitive human emotion recognition models. Comparative analysis demonstrates that the proposed facial emotion recognition model performs considerably better compared to the competitive models.


2019 ◽  
Vol 9 (13) ◽  
pp. 2758 ◽  
Author(s):  
Mujtaba Husnain ◽  
Malik Muhammad Saad Missen ◽  
Shahzad Mumtaz ◽  
Muhammad Zeeshan Jhanidr ◽  
Mickaël Coustaty ◽  
...  

In the area of pattern recognition and pattern matching, the methods based on deep learning models have recently attracted several researchers by achieving magnificent performance. In this paper, we propose the use of the convolutional neural network to recognize the multifont offline Urdu handwritten characters in an unconstrained environment. We also propose a novel dataset of Urdu handwritten characters since there is no publicly-available dataset of this kind. A series of experiments are performed on our proposed dataset. The accuracy achieved for character recognition is among the best while comparing with the ones reported in the literature for the same task.


2020 ◽  
Vol 17 (8) ◽  
pp. 3478-3483
Author(s):  
V. Sravan Chowdary ◽  
G. Penchala Sai Teja ◽  
D. Mounesh ◽  
G. Manideep ◽  
C. T. Manimegalai

Road injuries are a big drawback in society for a few time currently. Ignoring sign boards while moving on roads has significantly become a major cause for road accidents. Thus we came up with an approach to face this issue by detecting the sign board and recognition of sign board. At this moment there are several deep learning models for object detection using totally different algorithms like RCNN, faster RCNN, SPP-net, etc. We prefer to use Yolo-3, which improves the speed and precision of object detection. This algorithm will increase the accuracy by utilizing residual units, skip connections and up-sampling. This algorithm uses a framework named Dark-net. This framework is intended specifically to create the neural network for training the Yolo algorithm. To thoroughly detect the sign board, we used this algorithm.


2021 ◽  
Vol 11 (15) ◽  
pp. 7147
Author(s):  
Jinmo Gu ◽  
Jinhyuk Na ◽  
Jeongeun Park ◽  
Hayoung Kim

Outbound telemarketing is an efficient direct marketing method wherein telemarketers solicit potential customers by phone to purchase or subscribe to products or services. However, those who are not interested in the information or offers provided by outbound telemarketing generally experience such interactions negatively because they perceive telemarketing as spam. In this study, therefore, we investigate the use of deep learning models to predict the success of outbound telemarketing for insurance policy loans. We propose an explainable multiple-filter convolutional neural network model called XmCNN that can alleviate overfitting and extract various high-level features using hundreds of input variables. To enable the practical application of the proposed method, we also examine ensemble models to further improve its performance. We experimentally demonstrate that the proposed XmCNN significantly outperformed conventional deep neural network models and machine learning models. Furthermore, a deep learning ensemble model constructed using the XmCNN architecture achieved the lowest false positive rate (4.92%) and the highest F1-score (87.47%). We identified important variables influencing insurance policy loan prediction through the proposed model, suggesting that these factors should be considered in practice. The proposed method may increase the efficiency of outbound telemarketing and reduce the spam problems caused by calling non-potential customers.


2015 ◽  
Vol 2015 (3) ◽  
pp. 117-126
Author(s):  
Дмитрий Будыльский ◽  
Dmitriy Budylskiy ◽  
Александр Подвесовский ◽  
Aleksandr Podvesovskiy

This paper describes actual problem of sentiment based aspect analysis and four deep learning models: convolutional neural network, recurrent neural network, GRU and LSTM networks. We evaluated these models on Russian text dataset from SentiRuEval-2015. Results show good efficiency and high potential for further natural language processing applications.


2020 ◽  
Author(s):  
Albahli Saleh ◽  
Ali Alkhalifah

BACKGROUND To diagnose cardiothoracic diseases, a chest x-ray (CXR) is examined by a radiologist. As more people get affected, doctors are becoming scarce especially in developing countries. However, with the advent of image processing tools, the task of diagnosing these cardiothoracic diseases has seen great progress. A lot of researchers have put in work to see how the problems associated with medical images can be mitigated by using neural networks. OBJECTIVE Previous works used state-of-the-art techniques and got effective results with one or two cardiothoracic diseases but could lead to misclassification. In our work, we adopted GANs to synthesize the chest radiograph (CXR) to augment the training set on multiple cardiothoracic diseases to efficiently diagnose the chest diseases in different classes as shown in Figure 1. In this regard, our major contributions are classifying various cardiothoracic diseases to detect a specific chest disease based on CXR, use the advantage of GANs to overcome the shortages of small training datasets, address the problem of imbalanced data; and implementing optimal deep neural network architecture with different hyper-parameters to improve the model with the best accuracy. METHODS For this research, we are not building a model from scratch due to computational restraints as they require very high-end computers. Rather, we use a Convolutional Neural Network (CNN) as a class of deep neural networks to propose a generative adversarial network (GAN) -based model to generate synthetic data for training the data as the amount of the data is limited. We will use pre-trained models which are models that were trained on a large benchmark dataset to solve a problem similar to the one we want to solve. For example, the ResNet-152 model we used was initially trained on the ImageNet dataset. RESULTS After successful training and validation of the models we developed, ResNet-152 with image augmentation proved to be the best model for the automatic detection of cardiothoracic disease. However, one of the main problems associated with radiographic deep learning projects and research is the scarcity and unavailability of enough datasets which is a key component of all deep learning models as they require a lot of data for training. This is the reason why some of our models had image augmentation to increase the number of images without duplication. As more data are collected in the field of chest radiology, the models could be retrained to improve the accuracies of the models as deep learning models improve with more data. CONCLUSIONS This research employs the advantages of computer vision and medical image analysis to develop an automated model that has the clinical potential for early detection of the disease. Using deep learning models, the research aims to evaluate the effectiveness and accuracy of different convolutional neural network models in the automatic diagnosis of cardiothoracic diseases from x-ray images compared to diagnosis by experts in the medical community.


2021 ◽  
Vol 12 (6) ◽  
pp. 1-24
Author(s):  
Shaojie Qiao ◽  
Nan Han ◽  
Jianbin Huang ◽  
Kun Yue ◽  
Rui Mao ◽  
...  

Bike-sharing systems are becoming popular and generate a large volume of trajectory data. In a bike-sharing system, users can borrow and return bikes at different stations. In particular, a bike-sharing system will be affected by weather, the time period, and other dynamic factors, which challenges the scheduling of shared bikes. In this article, a new shared-bike demand forecasting model based on dynamic convolutional neural networks, called SDF , is proposed to predict the demand of shared bikes. SDF chooses the most relevant weather features from real weather data by using the Pearson correlation coefficient and transforms them into a two-dimensional dynamic feature matrix, taking into account the states of stations from historical data. The feature information in the matrix is extracted, learned, and trained with a newly proposed dynamic convolutional neural network to predict the demand of shared bikes in a dynamical and intelligent fashion. The phase of parameter update is optimized from three aspects: the loss function, optimization algorithm, and learning rate. Then, an accurate shared-bike demand forecasting model is designed based on the basic idea of minimizing the loss value. By comparing with classical machine learning models, the weight sharing strategy employed by SDF reduces the complexity of the network. It allows a high prediction accuracy to be achieved within a relatively short period of time. Extensive experiments are conducted on real-world bike-sharing datasets to evaluate SDF. The results show that SDF significantly outperforms classical machine learning models in prediction accuracy and efficiency.


Author(s):  
S Gopi Naik

Abstract: The plan is to establish an integrated system that can manage high-quality visual information and also detect weapons quickly and efficiently. It is obtained by integrating ARM-based computer vision and optimization algorithms with deep neural networks able to detect the presence of a threat. The whole system is connected to a Raspberry Pi module, which will capture live broadcasting and evaluate it using a deep convolutional neural network. Due to the intimate interaction between object identification and video and image analysis in real-time objects, By generating sophisticated ensembles that incorporate various low-level picture features with high-level information from object detection and scenario classifiers, their performance can quickly plateau. Deep learning models, which can learn semantic, high-level, deeper features, have been developed to overcome the issues that are present in optimization algorithms. It presents a review of deep learning based object detection frameworks that use Convolutional Neural Network layers for better understanding of object detection. The Mobile-Net SSD model behaves differently in network design, training methods, and optimization functions, among other things. The crime rate in suspicious areas has been reduced as a consequence of weapon detection. However, security is always a major concern in human life. The Raspberry Pi module, or computer vision, has been extensively used in the detection and monitoring of weapons. Due to the growing rate of human safety protection, privacy and the integration of live broadcasting systems which can detect and analyse images, suspicious areas are becoming indispensable in intelligence. This process uses a Mobile-Net SSD algorithm to achieve automatic weapons and object detection. Keywords: Computer Vision, Weapon and Object Detection, Raspberry Pi Camera, RTSP, SMTP, Mobile-Net SSD, CNN, Artificial Intelligence.


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