• Title/Summary/Keyword: graph-based

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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.

Automated Segmentation of the Lateral Ventricle Based on Graph Cuts Algorithm and Morphological Operations

  • Park, Seongbeom;Yoon, Uicheul
    • Journal of Biomedical Engineering Research
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    • v.38 no.2
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    • pp.82-88
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    • 2017
  • Enlargement of the lateral ventricles have been identified as a surrogate marker of neurological disorders. Quantitative measure of the lateral ventricle from MRI would enable earlier and more accurate clinical diagnosis in monitoring disease progression. Even though it requires an automated or semi-automated segmentation method for objective quantification, it is difficult to define lateral ventricles due to insufficient contrast and brightness of structural imaging. In this study, we proposed a fully automated lateral ventricle segmentation method based on a graph cuts algorithm combined with atlas-based segmentation and connected component labeling. Initially, initial seeds for graph cuts were defined by atlas-based segmentation (ATS). They were adjusted by partial volume images in order to provide accurate a priori information on graph cuts. A graph cuts algorithm is to finds a global minimum of energy with minimum cut/maximum flow algorithm function on graph. In addition, connected component labeling used to remove false ventricle regions. The proposed method was validated with the well-known tools using the dice similarity index, recall and precision values. The proposed method was significantly higher dice similarity index ($0.860{\pm}0.036$, p < 0.001) and recall ($0.833{\pm}0.037$, p < 0.001) compared with other tools. Therefore, the proposed method yielded a robust and reliable segmentation result.

A Path Finding Algorithm based on an Abstract Graph Created by Homogeneous Node Elimination Technique (동일 특성 노드 제거를 통한 추상 그래프 기반의 경로 탐색 알고리즘)

  • Kim, Ji-Soo;Lee, Ji-Wan;Cho, Dea-Soo
    • Journal of Korea Spatial Information System Society
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    • v.11 no.4
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    • pp.39-46
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    • 2009
  • Generally, Path-finding algorithms which use heuristic function may occur a problem of the increase of exploring cost in case of that there is no way determined by heuristic function or there are 2 way more which have almost same cost. In this paper, we propose an abstract graph for path-finding with dynamic information. The abstract graph is a simple graph as real road network is abstracted. The abstract graph is created by fixed-size cells and real road network. Path-finding with the abstract graph is composed of two step searching, path-finding on the abstract graph and on the real road network. We performed path-finding algorithm with the abstract graph against A* algorithm based on fixed-size cells on road network that consists of 106,254 edges. In result of evaluation of performance, cost of exploring in path-finding with the abstract graph is about 3~30% less than A* algorithm based on fixed-size cells. Quality of path in path-finding with the abstract graph is, However, about 1.5~6.6% more than A* algorithm based on fixed-size cells because edges eliminated are not candidates for path-finding.

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Improving the I/O Performance of Disk-Based Graph Engine by Graph Ordering (디스크 기반 그래프 엔진의 입출력 성능 향상을 위한 그래프 오더링)

  • Lim, Keunhak;Kim, Junghyun;Lee, Eunjae;Seo, Jiwon
    • KIISE Transactions on Computing Practices
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    • v.24 no.1
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    • pp.40-45
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    • 2018
  • With the advent of big data and social networks, large-scale graph processing becomes popular research topic. Recently, an optimization technique called Gorder has been proposed to improve the performance of in-memory graph processing. This technique improves performance by optimizing the graph layout on memory to have better cache locality. However, since it is designed for in-memory graph processing systems, the technique is not suitable for disk-based graph engines; also the cost for applying the technique is significantly high. To solve the problem, we propose a new graph ordering called I/O Order. I/O Order considers the characteristics of I/O accesses for SSDs and HDDs to improve the performance of disk-based graph engine. In addition, the algorithmic complexity of I/O Order is simple compared to Gorder, hence it is cheaper to apply I/O Ordering. I/O order reduces the cost of pre-processing up to 9.6 times compared to that of Gorder's, still its performance is 2 times higher compared to the Random in low-locality graph algorithms.

INFORMATION SEARCH BASED ON CONCEPT GRAPH IN WEB

  • Lee, Mal-Rey;Kim, Sang-Geun
    • Journal of applied mathematics & informatics
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    • v.10 no.1_2
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    • pp.333-351
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    • 2002
  • This paper introduces a search method based on conceptual graph. A hyperlink information is essential to construct conceptual graph in web. The information is very useful as it provides summary and further linkage to construct conceptual graph that has been provided by human. It also has a property which shows review, relation, hierarchy, generality, and visibility. Using this property, we extracted the keywords of web documents and made up of the conceptual graph among the keywords sampled from web pages. This paper extracts the keywords of web pages using anchor text one out of hyperlink information and makes hyperlink of web pages abstract as the link relation between keywords of each web page. 1 suggest this useful search method providing querying word extension or domain knowledge by conceptual graph of keywords. Domain knowledge was conceptualized knowledged as the conceptual graph. Then it is not listing web documents which is the defect of previous search system. And it gives the index of concept associating with querying word.

A Study on 3D Indoor mapping for as-built BIM creation by using Graph-based SLAM (준공 BIM 구축을 위한 Graph-based SLAM 기반의 실내공간 3차원 지도화 연구)

  • Jung, Jaehoon;Yoon, Sanghyun;Cyrill, Stachniss;Heo, Joon
    • Korean Journal of Construction Engineering and Management
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    • v.17 no.3
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    • pp.32-42
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    • 2016
  • In Korea, the absence of BIM use in existing civil structures and buildings is driving a demand for as-built BIM. As-built BIMs are often created using laser scanners that provide dense 3D point cloud data. Conventional static laser scanning approaches often suffer from limitations in their operability due to the difficulties in moving the equipment, the selection of scanning location, and the requirement of placing targets or extracting tie points for registration of each scanned point cloud. This paper aims at reducing the manual effort using a kinematic 3D laser scanning system based on graph-based simultaneous localization and mapping (SLAM) for continuous indoor mapping. The robotic platform carries three 2D laser scanners: the front scanner is mounted horizontally to compute the robot's trajectory and to build the SLAM graph; the other two scanners are mounted vertically to scan the profiles of surrounding environments. To reduce the accumulated error in the trajectory of the platform through loop closures, the graph-based SLAM system incorporates AdaBoost loop closure approach, which is particularly suitable for the developed multi-scanner system providing more features than the single-scanner system for training. We implemented the proposed method and evaluated it in two indoor test sites. Our experimental results show that the false positive rate was reduced by 13.6% and 7.9% for the two dataset. Finally, the 2D and 3D mapping results of the two test sites confirmed the effectiveness of the proposed graph-based SLAM.

Graph based KNN for Optimizing Index of News Articles

  • Jo, Taeho
    • Journal of Multimedia Information System
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    • v.3 no.3
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    • pp.53-61
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    • 2016
  • This research proposes the index optimization as a classification task and application of the graph based KNN. We need the index optimization as an important task for maximizing the information retrieval performance. And we try to solve the problems in encoding words into numerical vectors, such as huge dimensionality and sparse distribution, by encoding them into graphs as the alternative representations to numerical vectors. In this research, the index optimization is viewed as a classification task, the similarity measure between graphs is defined, and the KNN is modified into the graph based version based on the similarity measure, and it is applied to the index optimization task. As the benefits from this research, by modifying the KNN so, we expect the improvement of classification performance, more graphical representations of words which is inherent in graphs, the ability to trace more easily results from classifying words. In this research, we will validate empirically the proposed version in optimizing index on the two text collections: NewsPage.com and 20NewsGroups.

Comparison of graph clustering methods for analyzing the mathematical subject classification codes

  • Choi, Kwangju;Lee, June-Yub;Kim, Younjin;Lee, Donghwan
    • Communications for Statistical Applications and Methods
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    • v.27 no.5
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    • pp.569-578
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    • 2020
  • Various graph clustering methods have been introduced to identify communities in social or biological networks. This paper studies the entropy-based and the Markov chain-based methods in clustering the undirected graph. We examine the performance of two clustering methods with conventional methods based on quality measures of clustering. For the real applications, we collect the mathematical subject classification (MSC) codes of research papers from published mathematical databases and construct the weighted code-to-document matrix for applying graph clustering methods. We pursue to group MSC codes into the same cluster if the corresponding MSC codes appear in many papers simultaneously. We compare the MSC clustering results based on the several assessment measures and conclude that the Markov chain-based method is suitable for clustering the MSC codes.

Representation and Implementation of Graph Algorithms based on Relational Database (관계형 데이타베이스에 기반한 그래프 알고리즘의 표현과 구현)

  • Park, Hyu-Chan
    • Journal of KIISE:Databases
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    • v.29 no.5
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    • pp.347-357
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    • 2002
  • Graphs have provided a powerful methodology to solve a lot of real-world problems, and therefore there have been many proposals on the graph representations and algorithms. But, because most of them considered only memory-based graphs, there are still difficulties to apply them to large-scale problems. To cope with the difficulties, this paper proposes a graph representation and graph algorithms based on the well-developed relational database theory. Graphs are represented in the form of relations which can be visualized as relational tables. Each vertex and edge of a graph is represented as a tuple in the tables. Graph algorithms are also defined in terms of relational algebraic operations such as projection, selection, and join. They can be implemented with the database language such as SQL. We also developed a library of basic graph operations for the management of graphs and the development of graph applications. This database approach provides an efficient methodology to deal with very large- scale graphs, and the graph library supports the development of graph applications. Furthermore, it has many advantages such as the concurrent graph sharing among users by virtue of the capability of database.

Conflict Graph-based Downlink Resource Allocation and Scheduling for Indoor Visible Light Communications

  • Liu, Huanlin;Dai, Hongyue;Chen, Yong;Xia, Peijie
    • Journal of the Optical Society of Korea
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    • v.20 no.1
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    • pp.36-41
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    • 2016
  • Visible Light Communication (VLC) using Light Emitting Diodes (LEDs) within the existing lighting infrastructure can reduce the implementation cost and may gain higher throughput than radio frequency (RF) or Infrared (IR) based wireless systems. Current indoor VLC systems may suffer from poor downlink resource allocation problems and small system throughput. To address these two issues, we propose an algorithm called a conflict graph scheduling (CGS) algorithm, including a conflict graph and a scheme that is based on the conflict graph. The conflict graph can ensure that users are able to transmit data without interference. The scheme considers the user fairness and system throughput, so that they both can get optimum values. Simulation results show that the proposed algorithm can guarantee significant improvement of system throughput under the premise of fairness.