Dual graph wavelet neural network for graph-based semi-supervised classification

2021 ◽  
pp. 1-11
Author(s):  
Kekun Hu ◽  
Gang Dong ◽  
Yaqian Zhao ◽  
Rengang Li ◽  
Dongdong Jiang ◽  
...  

Vertex classification is an important graph mining technique and has important applications in fields such as social recommendation and e-Commerce recommendation. Existing classification methods fail to make full use of the graph topology to improve the classification performance. To alleviate it, we propose a Dual Graph Wavelet neural Network composed of two identical graph wavelet neural networks sharing network parameters. These two networks are integrated with a semi-supervised loss function and carry out supervised learning and unsupervised learning on two matrixes representing the graph topology extracted from the same graph dataset, respectively. One matrix embeds the local consistency information and the other the global consistency information. To reduce the computational complexity of the convolution operation of the graph wavelet neural network, we design an approximate scheme based on the first type Chebyshev polynomial. Experimental results show that the proposed network significantly outperforms the state-of-the-art approaches for vertex classification on all three benchmark datasets and the proposed approximation scheme is validated for datasets with low vertex average degree when the approximation order is small.

2009 ◽  
Vol 129 (7) ◽  
pp. 1356-1362
Author(s):  
Kunikazu Kobayashi ◽  
Masanao Obayashi ◽  
Takashi Kuremoto

2018 ◽  
Author(s):  
Roman Zubatyuk ◽  
Justin S. Smith ◽  
Jerzy Leszczynski ◽  
Olexandr Isayev

<p>Atomic and molecular properties could be evaluated from the fundamental Schrodinger’s equation and therefore represent different modalities of the same quantum phenomena. Here we present AIMNet, a modular and chemically inspired deep neural network potential. We used AIMNet with multitarget training to learn multiple modalities of the state of the atom in a molecular system. The resulting model shows on several benchmark datasets the state-of-the-art accuracy, comparable to the results of orders of magnitude more expensive DFT methods. It can simultaneously predict several atomic and molecular properties without an increase in computational cost. With AIMNet we show a new dimension of transferability: the ability to learn new targets utilizing multimodal information from previous training. The model can learn implicit solvation energy (like SMD) utilizing only a fraction of original training data, and archive MAD error of 1.1 kcal/mol compared to experimental solvation free energies in MNSol database.</p>


Author(s):  
Shikha Bhardwaj ◽  
Gitanjali Pandove ◽  
Pawan Kumar Dahiya

Background: In order to retrieve a particular image from vast repository of images, an efficient system is required and such an eminent system is well-known by the name Content-based image retrieval (CBIR) system. Color is indeed an important attribute of an image and the proposed system consist of a hybrid color descriptor which is used for color feature extraction. Deep learning, has gained a prominent importance in the current era. So, the performance of this fusion based color descriptor is also analyzed in the presence of Deep learning classifiers. Method: This paper describes a comparative experimental analysis on various color descriptors and the best two are chosen to form an efficient color based hybrid system denoted as combined color moment-color autocorrelogram (Co-CMCAC). Then, to increase the retrieval accuracy of the hybrid system, a Cascade forward back propagation neural network (CFBPNN) is used. The classification accuracy obtained by using CFBPNN is also compared to Patternnet neural network. Results: The results of the hybrid color descriptor depict that the proposed system has superior results of the order of 95.4%, 88.2%, 84.4% and 96.05% on Corel-1K, Corel-5K, Corel-10K and Oxford flower benchmark datasets respectively as compared to many state-of-the-art related techniques. Conclusion: This paper depict an experimental and analytical analysis on different color feature descriptors namely, Color moment (CM), Color auto-correlogram (CAC), Color histogram (CH), Color coherence vector (CCV) and Dominant color descriptor (DCD). The proposed hybrid color descriptor (Co-CMCAC) is utilized for the withdrawal of color features with Cascade forward back propagation neural network (CFBPNN) is used as a classifier on four benchmark datasets namely Corel-1K, Corel-5K and Corel-10K and Oxford flower.


2019 ◽  
Vol 9 (1) ◽  
Author(s):  
Narjes Rohani ◽  
Changiz Eslahchi

Abstract Drug-Drug Interaction (DDI) prediction is one of the most critical issues in drug development and health. Proposing appropriate computational methods for predicting unknown DDI with high precision is challenging. We proposed "NDD: Neural network-based method for drug-drug interaction prediction" for predicting unknown DDIs using various information about drugs. Multiple drug similarities based on drug substructure, target, side effect, off-label side effect, pathway, transporter, and indication data are calculated. At first, NDD uses a heuristic similarity selection process and then integrates the selected similarities with a nonlinear similarity fusion method to achieve high-level features. Afterward, it uses a neural network for interaction prediction. The similarity selection and similarity integration parts of NDD have been proposed in previous studies of other problems. Our novelty is to combine these parts with new neural network architecture and apply these approaches in the context of DDI prediction. We compared NDD with six machine learning classifiers and six state-of-the-art graph-based methods on three benchmark datasets. NDD achieved superior performance in cross-validation with AUPR ranging from 0.830 to 0.947, AUC from 0.954 to 0.994 and F-measure from 0.772 to 0.902. Moreover, cumulative evidence in case studies on numerous drug pairs, further confirm the ability of NDD to predict unknown DDIs. The evaluations corroborate that NDD is an efficient method for predicting unknown DDIs. The data and implementation of NDD are available at https://github.com/nrohani/NDD.


Author(s):  
Chen Qi ◽  
Shibo Shen ◽  
Rongpeng Li ◽  
Zhifeng Zhao ◽  
Qing Liu ◽  
...  

AbstractNowadays, deep neural networks (DNNs) have been rapidly deployed to realize a number of functionalities like sensing, imaging, classification, recognition, etc. However, the computational-intensive requirement of DNNs makes it difficult to be applicable for resource-limited Internet of Things (IoT) devices. In this paper, we propose a novel pruning-based paradigm that aims to reduce the computational cost of DNNs, by uncovering a more compact structure and learning the effective weights therein, on the basis of not compromising the expressive capability of DNNs. In particular, our algorithm can achieve efficient end-to-end training that transfers a redundant neural network to a compact one with a specifically targeted compression rate directly. We comprehensively evaluate our approach on various representative benchmark datasets and compared with typical advanced convolutional neural network (CNN) architectures. The experimental results verify the superior performance and robust effectiveness of our scheme. For example, when pruning VGG on CIFAR-10, our proposed scheme is able to significantly reduce its FLOPs (floating-point operations) and number of parameters with a proportion of 76.2% and 94.1%, respectively, while still maintaining a satisfactory accuracy. To sum up, our scheme could facilitate the integration of DNNs into the common machine-learning-based IoT framework and establish distributed training of neural networks in both cloud and edge.


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