• Title/Summary/Keyword: graph neural network

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Prediction of Material's Formation Energy Using Crystal Graph Convolutional Neural Network (결정그래프 합성곱 인공신경망을 통한 소재의 생성 에너지 예측)

  • Lee, Hyun-Gi;Seo, Dong-Hwa
    • Journal of the Korean Institute of Electrical and Electronic Material Engineers
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    • v.35 no.2
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    • pp.134-142
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    • 2022
  • As industry and technology go through advancement, it is hard to search new materials which satisfy various standards through conventional trial-and-error based research methods. Crystal Graph Convolutional Neural Network(CGCNN) is a neural network which uses material's features as train data, and predicts the material properties(formation energy, bandgap, etc.) much faster than first-principles calculation. This report introduces how to train the CGCNN model which predicts the formation energy using open database. It is anticipated that with a simple programming skill, readers could construct a model using their data and purpose. Developing machine learning model for materials science is going to help researchers who should explore large chemical and structural space to discover materials efficiently.

KG_VCR: A Visual Commonsense Reasoning Model Using Knowledge Graph (KG_VCR: 지식 그래프를 이용하는 영상 기반 상식 추론 모델)

  • Lee, JaeYun;Kim, Incheol
    • KIPS Transactions on Software and Data Engineering
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    • v.9 no.3
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    • pp.91-100
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    • 2020
  • Unlike the existing Visual Question Answering(VQA) problems, the new Visual Commonsense Reasoning(VCR) problems require deep common sense reasoning for answering questions: recognizing specific relationship between two objects in the image, presenting the rationale of the answer. In this paper, we propose a novel deep neural network model, KG_VCR, for VCR problems. In addition to make use of visual relations and contextual information between objects extracted from input data (images, natural language questions, and response lists), the KG_VCR also utilizes commonsense knowledge embedding extracted from an external knowledge base called ConceptNet. Specifically the proposed model employs a Graph Convolutional Neural Network(GCN) module to obtain commonsense knowledge embedding from the retrieved ConceptNet knowledge graph. By conducting a series of experiments with the VCR benchmark dataset, we show that the proposed KG_VCR model outperforms both the state of the art(SOTA) VQA model and the R2C VCR model.

Traffic Speed Prediction Based on Graph Neural Networks for Intelligent Transportation System (지능형 교통 시스템을 위한 Graph Neural Networks 기반 교통 속도 예측)

  • Kim, Sunghoon;Park, Jonghyuk;Choi, Yerim
    • The Journal of The Korea Institute of Intelligent Transport Systems
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    • v.20 no.1
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    • pp.70-85
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    • 2021
  • Deep learning methodology, which has been actively studied in recent years, has improved the performance of artificial intelligence. Accordingly, systems utilizing deep learning have been proposed in various industries. In traffic systems, spatio-temporal graph modeling using GNN was found to be effective in predicting traffic speed. Still, it has a disadvantage that the model is trained inefficiently due to the memory bottleneck. Therefore, in this study, the road network is clustered through the graph clustering algorithm to reduce memory bottlenecks and simultaneously achieve superior performance. In order to verify the proposed method, the similarity of road speed distribution was measured using Jensen-Shannon divergence based on the analysis result of Incheon UTIC data. Then, the road network was clustered by spectrum clustering based on the measured similarity. As a result of the experiments, it was found that when the road network was divided into seven networks, the memory bottleneck was alleviated while recording the best performance compared to the baselines with MAE of 5.52km/h.

Neural-Network-based Consensus Tracking of Second-Order Multi-Agent Systems With Unknown Heterogeneous Nonlinearities (미지의 이종 비선형성을 갖는 2차 비선형 다개체 시스템의 신경 회로망 기반 일치 추종)

  • Choi, Yun Ho;Yoo, Sung Jin
    • Journal of Institute of Control, Robotics and Systems
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    • v.22 no.6
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    • pp.477-482
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    • 2016
  • This paper presents a simple approximation-based design approach for consensus tracking of heterogeneous second-order nonlinear systems under a directed network. All nonlinearities of followers are assumed to be unknown and non-identical. In the controller design procedure, graph-independent error surfaces are used and an unimplementable intermediate controller for each follower is designed at the first design step. Then, by adding and subtracting a graph-based term at the second step, the actual controller for each follower is designed by using one neural network employed to estimate a lumped and distributed nonlinearity. Therefore, the proposed local controller for each follower has a simpler structure than existing approximation-based consensus tracking controllers for multi-agent systems with unmatched nonlinearities.

Graph Reasoning and Context Fusion for Multi-Task, Multi-Hop Question Answering (다중 작업, 다중 홉 질문 응답을 위한 그래프 추론 및 맥락 융합)

  • Lee, Sangui;Kim, Incheol
    • KIPS Transactions on Software and Data Engineering
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    • v.10 no.8
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    • pp.319-330
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    • 2021
  • Recently, in the field of open domain natural language question answering, multi-task, multi-hop question answering has been studied extensively. In this paper, we propose a novel deep neural network model using hierarchical graphs to answer effectively such multi-task, multi-hop questions. The proposed model extracts different levels of contextual information from multiple paragraphs using hierarchical graphs and graph neural networks, and then utilize them to predict answer type, supporting sentences and answer spans simultaneously. Conducting experiments with the HotpotQA benchmark dataset, we show high performance and positive effects of the proposed model.

Comparison of Objective Functions for Feed-forward Neural Network Classifiers Using Receiver Operating Characteristics Graph

  • Oh, Sang-Hoon;Wakuya, Hiroshi
    • International Journal of Contents
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    • v.10 no.1
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    • pp.23-28
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    • 2014
  • When developing a classifier using various objective functions, it is important to compare the performances of the classifiers. Although there are statistical analyses of objective functions for classifiers, simulation results can provide us with direct comparison results and in this case, a comparison criterion is considerably critical. A Receiver Operating Characteristics (ROC) graph is a simulation technique for comparing classifiers and selecting a better one based on a performance. In this paper, we adopt the ROC graph to compare classifiers trained by mean-squared error, cross-entropy error, classification figure of merit, and the n-th order extension of cross-entropy error functions. After the training of feed-forward neural networks using the CEDAR database, the ROC graphs are plotted to help us identify which objective function is better.

A System for Improving Data Leakage Detection based on Association Relationship between Data Leakage Patterns

  • Seo, Min-Ji;Kim, Myung-Ho
    • Journal of Information Processing Systems
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    • v.15 no.3
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    • pp.520-537
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    • 2019
  • This paper proposes a system that can detect the data leakage pattern using a convolutional neural network based on defining the behaviors of leaking data. In this case, the leakage detection scenario of data leakage is composed of the patterns of occurrence of security logs by administration and related patterns between the security logs that are analyzed by association relationship analysis. This proposed system then detects whether the data is leaked through the convolutional neural network using an insider malicious behavior graph. Since each graph is drawn according to the leakage detection scenario of a data leakage, the system can identify the criminal insider along with the source of malicious behavior according to the results of the convolutional neural network. The results of the performance experiment using a virtual scenario show that even if a new malicious pattern that has not been previously defined is inputted into the data leakage detection system, it is possible to determine whether the data has been leaked. In addition, as compared with other data leakage detection systems, it can be seen that the proposed system is able to detect data leakage more flexibly.

A Gradient Boosting Method for Graph Neural Networks (그래프 신경망에 대한 그래디언트 부스팅 기법)

  • Jang, Eunjo;Lee, Ki Yong
    • Proceedings of the Korea Information Processing Society Conference
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    • 2022.11a
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    • pp.574-576
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    • 2022
  • 최근 여러 분야에서 그래프 신경망(graph neural network, GNN)이 활발히 연구되고 있다. 하지만 지금까지 대부분의 GNN 연구는 단일 GNN 모델의 성능을 향상하는 데 집중되었다. 본 논문에서는 앙상블(ensemble) 기법의 대표적 기법인 그래디언트 부스팅(gradient boosting)을 이용하여 GNN의 앙상블 모델을 만드는 방법을 제안한다. 제안 방법은 앞서 만들어진 GNN의 오차를 경사 하강법(gradient descent)을 이용하여 감소시키는 방향으로 다음 GNN을 생성한다. 이 과정을 반복하여 GNN의 최종 앙상블 모델을 얻는다. 실험에서 GNN의 대표적인 모델인 그래프 합성곱 신경망(graph convolutional network, GCN)에 제안 방법을 적용하여 앙상블 모델을 생성한 결과, 단일 GCN 모델에 비해 노드 분류 정확도가 11.3%p까지 증가하였음을 확인하였다.

Cable damage identification of cable-stayed bridge using multi-layer perceptron and graph neural network

  • Pham, Van-Thanh;Jang, Yun;Park, Jong-Woong;Kim, Dong-Joo;Kim, Seung-Eock
    • Steel and Composite Structures
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    • v.44 no.2
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    • pp.241-254
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    • 2022
  • The cables in a cable-stayed bridge are critical load-carrying parts. The potential damage to cables should be identified early to prevent disasters. In this study, an efficient deep learning model is proposed for the damage identification of cables using both a multi-layer perceptron (MLP) and a graph neural network (GNN). Datasets are first generated using the practical advanced analysis program (PAAP), which is a robust program for modeling and analyzing bridge structures with low computational costs. The model based on the MLP and GNN can capture complex nonlinear correlations between the vibration characteristics in the input data and the cable system damage in the output data. Multiple hidden layers with an activation function are used in the MLP to expand the original input vector of the limited measurement data to obtain a complete output data vector that preserves sufficient information for constructing the graph in the GNN. Using the gated recurrent unit and set2set model, the GNN maps the formed graph feature to the output cable damage through several updating times and provides the damage results to both the classification and regression outputs. The model is fine-tuned with the original input data using Adam optimization for the final objective function. A case study of an actual cable-stayed bridge was considered to evaluate the model performance. The results demonstrate that the proposed model provides high accuracy (over 90%) in classification and satisfactory correlation coefficients (over 0.98) in regression and is a robust approach to obtain effective identification results with a limited quantity of input data.

Improving Accuracy of Chapter-level Lecture Video Recommendation System using Keyword Cluster-based Graph Neural Networks

  • Purevsuren Chimeddorj;Doohyun Kim
    • Journal of the Korea Society of Computer and Information
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    • v.29 no.7
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    • pp.89-98
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    • 2024
  • In this paper, we propose a system for recommending lecture videos at the chapter level, addressing the balance between accuracy and processing speed in chapter-level video recommendations. Specifically, it has been observed that enhancing recommendation accuracy reduces processing speed, while increasing processing speed decreases accuracy. To mitigate this trade-off, a hybrid approach is proposed, utilizing techniques such as TF-IDF, k-means++ clustering, and Graph Neural Networks (GNN). The approach involves pre-constructing clusters based on chapter similarity to reduce computational load during recommendations, thereby improving processing speed, and applying GNN to the graph of clusters as nodes to enhance recommendation accuracy. Experimental results indicate that the use of GNN resulted in an approximate 19.7% increase in recommendation accuracy, as measured by the Mean Reciprocal Rank (MRR) metric, and an approximate 27.7% increase in precision defined by similarities. These findings are expected to contribute to the development of a learning system that recommends more suitable video chapters in response to learners' queries.