• Title/Summary/Keyword: graph neural network

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Toxicity prediction of chemicals using OECD test guideline data with graph-based deep learning models (OECD TG데이터를 이용한 그래프 기반 딥러닝 모델 분자 특성 예측)

  • Daehwan Hwang;Changwon Lim
    • The Korean Journal of Applied Statistics
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    • v.37 no.3
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    • pp.355-380
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    • 2024
  • In this paper, we compare the performance of graph-based deep learning models using OECD test guideline (TG) data. OECD TG are a unique tool for assessing the potential effects of chemicals on health and environment. but many guidelines include animal testing. Animal testing is time-consuming and expensive, and has ethical issues, so methods to find or minimize alternatives are being studied. Deep learning is used in various fields using chemicals including toxicity prediciton, and research on graph-based models is particularly active. Our goal is to compare the performance of graph-based deep learning models on OECD TG data to find the best performance model on there. We collected the results of OECD TG from the website eChemportal.org operated by the OECD, and chemicals that were impossible or inappropriate to learn were removed through pre-processing. The toxicity prediction performance of five graph-based models was compared using the collected OECD TG data and MoleculeNet data, a benchmark dataset for predicting chemical properties.

Research on Performance of Graph Algorithm using Deep Learning Technology (딥러닝 기술을 적용한 그래프 알고리즘 성능 연구)

  • Giseop Noh
    • The Journal of the Convergence on Culture Technology
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    • v.10 no.1
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    • pp.471-476
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    • 2024
  • With the spread of various smart devices and computing devices, big data generation is occurring widely. Machine learning is an algorithm that performs reasoning by learning data patterns. Among the various machine learning algorithms, the algorithm that attracts attention is deep learning based on neural networks. Deep learning is achieving rapid performance improvement with the release of various applications. Recently, among deep learning algorithms, attempts to analyze data using graph structures are increasing. In this study, we present a graph generation method for transferring to a deep learning network. This paper proposes a method of generalizing node properties and edge weights in the graph generation process and converting them into a structure for deep learning input by presenting a matricization We present a method of applying a linear transformation matrix that can preserve attribute and weight information in the graph generation process. Finally, we present a deep learning input structure of a general graph and present an approach for performance analysis.

Transforming Patient Health Management: Insights from Explainable AI and Network Science Integration

  • Mi-Hwa Song
    • International Journal of Internet, Broadcasting and Communication
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    • v.16 no.1
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    • pp.307-313
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    • 2024
  • This study explores the integration of Explainable Artificial Intelligence (XAI) and network science in healthcare, focusing on enhancing healthcare data interpretation and improving diagnostic and treatment methods. Key methodologies like Graph Neural Networks, Community Detection, Overlapping Network Models, and Time-Series Network Analysis are examined in depth for their potential in patient health management. The research highlights the transformative role of XAI in making complex AI models transparent and interpretable, essential for accurate, data-driven decision-making in healthcare. Case studies demonstrate the practical application of these methodologies in predicting diseases, understanding drug interactions, and tracking patient health over time. The study concludes with the immense promise of these advancements in healthcare, despite existing challenges, and underscores the need for ongoing research to fully realize the potential of AI in this field.

Multi-site based earthquake event classification using graph convolution networks (그래프 합성곱 신경망을 이용한 다중 관측소 기반 지진 이벤트 분류)

  • Kim, Gwantae;Ku, Bonhwa;Ko, Hanseok
    • The Journal of the Acoustical Society of Korea
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    • v.39 no.6
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    • pp.615-621
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    • 2020
  • In this paper, we propose a multi-site based earthquake event classification method using graph convolution networks. In the traditional earthquake event classification methods using deep learning, they used single-site observation to estimate seismic event class. However, to achieve robust and accurate earthquake event classification on the seismic observation network, the method using the information from the multi-site observations is needed, instead of using only single-site data. Firstly, our proposed model employs convolution neural networks to extract informative embedding features from the single-site observation. Secondly, graph convolution networks are used to integrate the features from several stations. To evaluate our model, we explore the model structure and the number of stations for ablation study. Finally, our multi-site based model outperforms up to 10 % accuracy and event recall rate compared to single-site based model.

Malware Detection with Directed Cyclic Graph and Weight Merging

  • Li, Shanxi;Zhou, Qingguo;Wei, Wei
    • KSII Transactions on Internet and Information Systems (TIIS)
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    • v.15 no.9
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    • pp.3258-3273
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    • 2021
  • Malware is a severe threat to the computing system and there's a long history of the battle between malware detection and anti-detection. Most traditional detection methods are based on static analysis with signature matching and dynamic analysis methods that are focused on sensitive behaviors. However, the usual detections have only limited effect when meeting the development of malware, so that the manual update for feature sets is essential. Besides, most of these methods match target samples with the usual feature database, which ignored the characteristics of the sample itself. In this paper, we propose a new malware detection method that could combine the features of a single sample and the general features of malware. Firstly, a structure of Directed Cyclic Graph (DCG) is adopted to extract features from samples. Then the sensitivity of each API call is computed with Markov Chain. Afterward, the graph is merged with the chain to get the final features. Finally, the detectors based on machine learning or deep learning are devised for identification. To evaluate the effect and robustness of our approach, several experiments were adopted. The results showed that the proposed method had a good performance in most tests, and the approach also had stability with the development and growth of malware.

A Comparison of Deep Neural Network Structures for Learning Various Motions (다양한 동작 학습을 위한 깊은신경망 구조 비교)

  • Park, Soohwan;Lee, Jehee
    • Journal of the Korea Computer Graphics Society
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    • v.27 no.5
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    • pp.73-79
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    • 2021
  • Recently, in the field of computer animation, a method for generating motion using deep learning has been studied away from conventional finite-state machines or graph-based methods. The expressiveness of the network required for learning motions is more influenced by the diversity of motion contained in it than by the simple length of motion to be learned. This study aims to find an efficient network structure when the types of motions to be learned are diverse. In this paper, we train and compare three types of networks: basic fully-connected structure, mixture of experts structure that uses multiple fully-connected layers in parallel, recurrent neural network which is widely used to deal with seq2seq, and transformer structure used for sequence-type data processing in the natural language processing field.

A Study about Learning Graph Representation on Farmhouse Apple Quality Images with Graph Transformer (그래프 트랜스포머 기반 농가 사과 품질 이미지의 그래프 표현 학습 연구)

  • Ji Hun Bae;Ju Hwan Lee;Gwang Hyun Yu;Gyeong Ju Kwon;Jin Young Kim
    • Smart Media Journal
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    • v.12 no.1
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    • pp.9-16
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    • 2023
  • Recently, a convolutional neural network (CNN) based system is being developed to overcome the limitations of human resources in the apple quality classification of farmhouse. However, since convolutional neural networks receive only images of the same size, preprocessing such as sampling may be required, and in the case of oversampling, information loss of the original image such as image quality degradation and blurring occurs. In this paper, in order to minimize the above problem, to generate a image patch based graph of an original image and propose a random walk-based positional encoding method to apply the graph transformer model. The above method continuously learns the position embedding information of patches which don't have a positional information based on the random walk algorithm, and finds the optimal graph structure by aggregating useful node information through the self-attention technique of graph transformer model. Therefore, it is robust and shows good performance even in a new graph structure of random node order and an arbitrary graph structure according to the location of an object in an image. As a result, when experimented with 5 apple quality datasets, the learning accuracy was higher than other GNN models by a minimum of 1.3% to a maximum of 4.7%, and the number of parameters was 3.59M, which was about 15% less than the 23.52M of the ResNet18 model. Therefore, it shows fast reasoning speed according to the reduction of the amount of computation and proves the effect.

Prediction of Fabric Drape Using Artificial Neural Networks (인공신경망을 이용한 드레이프성 예측)

  • Lee, Somin;Yu, Dongjoo;Shin, Bona;Youn, Seonyoung;Shim, Myounghee;Yun, Changsang
    • Journal of the Korean Society of Clothing and Textiles
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    • v.45 no.6
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    • pp.978-985
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    • 2021
  • This study aims to propose a prediction model for the drape coefficient using artificial neural networks and to analyze the nonlinear relationship between the drape properties and physical properties of fabrics. The study validates the significance of each factor affecting the fabric drape through multiple linear regression analysis with a sample size of 573. The analysis constructs a model with an adjusted R2 of 77.6%. Seven main factors affect the drape coefficient: Grammage, extruded length values for warp and weft (mwarp, mweft), coefficients of quadratic terms in the tensile-force quadratic graph in the warp, weft, and bias directions (cwarp, cweft, cbias), and force required for 1% tension in the warp direction (fwarp). Finally, an artificial neural network was created using seven selected factors. The performance was examined by increasing the number of hidden neurons, and the most suitable number of hidden neurons was found to be 8. The mean squared error was .052, and the correlation coefficient was .863, confirming a satisfactory model. The developed artificial neural network model can be used for engineering and high-quality clothing design. It is expected to provide essential data for clothing appearance, such as the fabric drape.

Analysis of Weights and Feature Patterns in Popular 2D Deep Neural Networks Models for MRI Image Classification

  • Khagi, Bijen;Kwon, Goo-Rak
    • Journal of Multimedia Information System
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    • v.9 no.3
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    • pp.177-182
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    • 2022
  • A deep neural network (DNN) includes variables whose values keep on changing with the training process until it reaches the final point of convergence. These variables are the co-efficient of a polynomial expression to relate to the feature extraction process. In general, DNNs work in multiple 'dimensions' depending upon the number of channels and batches accounted for training. However, after the execution of feature extraction and before entering the SoftMax or other classifier, there is a conversion of features from multiple N-dimensions to a single vector form, where 'N' represents the number of activation channels. This usually happens in a Fully connected layer (FCL) or a dense layer. This reduced 2D feature is the subject of study for our analysis. For this, we have used the FCL, so the trained weights of this FCL will be used for the weight-class correlation analysis. The popular DNN models selected for our study are ResNet-101, VGG-19, and GoogleNet. These models' weights are directly used for fine-tuning (with all trained weights initially transferred) and scratch trained (with no weights transferred). Then the comparison is done by plotting the graph of feature distribution and the final FCL weights.

Brain-Inspired Artificial Intelligence (브레인 모사 인공지능 기술)

  • Kim, C.H.;Lee, J.H.;Lee, S.Y.;Woo, Y.C.;Baek, O.K.;Won, H.S.
    • Electronics and Telecommunications Trends
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    • v.36 no.3
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    • pp.106-118
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    • 2021
  • The field of brain science (or neuroscience in a broader sense) has inspired researchers in artificial intelligence (AI) for a long time. The outcomes of neuroscience such as Hebb's rule had profound effects on the early AI models, and the models have developed to become the current state-of-the-art artificial neural networks. However, the recent progress in AI led by deep learning architectures is mainly due to elaborate mathematical methods and the rapid growth of computing power rather than neuroscientific inspiration. Meanwhile, major limitations such as opacity, lack of common sense, narrowness, and brittleness have not been thoroughly resolved. To address those problems, many AI researchers turn their attention to neuroscience to get insights and inspirations again. Biologically plausible neural networks, spiking neural networks, and connectome-based networks exemplify such neuroscience-inspired approaches. In addition, the more recent field of brain network analysis is unveiling complex brain mechanisms by handling the brain as dynamic graph models. We argue that the progress toward the human-level AI, which is the goal of AI, can be accelerated by leveraging the novel findings of the human brain network.