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MLCNN-COV: A multilabel convolutional neural network-based framework to identify negative COVID medicine responses from the chemical three-dimensional conformer

  • Pranab Das;Dilwar Hussain Mazumder
    • ETRI Journal
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    • v.46 no.2
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    • pp.290-306
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    • 2024
  • To treat the novel COronaVIrus Disease (COVID), comparatively fewer medicines have been approved. Due to the global pandemic status of COVID, several medicines are being developed to treat patients. The modern COVID medicines development process has various challenges, including predicting and detecting hazardous COVID medicine responses. Moreover, correctly predicting harmful COVID medicine reactions is essential for health safety. Significant developments in computational models in medicine development can make it possible to identify adverse COVID medicine reactions. Since the beginning of the COVID pandemic, there has been significant demand for developing COVID medicines. Therefore, this paper presents the transferlearning methodology and a multilabel convolutional neural network for COVID (MLCNN-COV) medicines development model to identify negative responses of COVID medicines. For analysis, a framework is proposed with five multilabel transfer-learning models, namely, MobileNetv2, ResNet50, VGG19, DenseNet201, and Inceptionv3, and an MLCNN-COV model is designed with an image augmentation (IA) technique and validated through experiments on the image of three-dimensional chemical conformer of 17 number of COVID medicines. The RGB color channel is utilized to represent the feature of the image, and image features are extracted by employing the Convolution2D and MaxPooling2D layer. The findings of the current MLCNN-COV are promising, and it can identify individual adverse reactions of medicines, with the accuracy ranging from 88.24% to 100%, which outperformed the transfer-learning model's performance. It shows that three-dimensional conformers adequately identify negative COVID medicine responses.

Quasi-optical design and analysis of a remote steering launcher for CFETR ECRH system

  • Zhang Chao;Xiaojie Wang;Dajun Wu;Yunying Tang;Hanlin Wang;Dingzhen Li;Fukun Liu;Muquan Wu;Peiguang Yan;Xiang Gao;Jiangang Li
    • Nuclear Engineering and Technology
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    • v.56 no.5
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    • pp.1619-1626
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    • 2024
  • In order to optimize the operational safety and reliability of the upper launcher for the CFETR ECRH system, a design of the launcher for NTM control based on the remote steering concept is currently being carried out for comparison with the front steering equivalent. This paper presents the layout design and analysis of the quasi-optical system in the remote steering launcher. A 3D visual quasi-optical design tool has been developed for the quasi-optical system, which can parameterize modeling, perform general astigmatic beam calculation and show the accurate beam propagation path in the upper port. Three identical sets of quasi-optical modules are arranged in the launcher, and each one consists of two fixed double-curvature focusing mirrors, which focus and reflect the steering beams (- 12°-12°) from two square corrugated waveguides. The beam characteristics at the resonance layer are described, and the average beam radius is < 100 mm. The peak head loads on the surfaces of the two fixed mirrors are 1.63 MW/m2 and 1.52 MW/m2. The position and size of the beam channel in the blanket are obtained, and the opening apertures on the launcher-facing and plasma-facing sides of the blanket module are 0.54 m2 and 0.4 m2, respectively.

A Time Series Graph based Convolutional Neural Network Model for Effective Input Variable Pattern Learning : Application to the Prediction of Stock Market (효과적인 입력변수 패턴 학습을 위한 시계열 그래프 기반 합성곱 신경망 모형: 주식시장 예측에의 응용)

  • Lee, Mo-Se;Ahn, Hyunchul
    • Journal of Intelligence and Information Systems
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    • v.24 no.1
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    • pp.167-181
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    • 2018
  • Over the past decade, deep learning has been in spotlight among various machine learning algorithms. In particular, CNN(Convolutional Neural Network), which is known as the effective solution for recognizing and classifying images or voices, has been popularly applied to classification and prediction problems. In this study, we investigate the way to apply CNN in business problem solving. Specifically, this study propose to apply CNN to stock market prediction, one of the most challenging tasks in the machine learning research. As mentioned, CNN has strength in interpreting images. Thus, the model proposed in this study adopts CNN as the binary classifier that predicts stock market direction (upward or downward) by using time series graphs as its inputs. That is, our proposal is to build a machine learning algorithm that mimics an experts called 'technical analysts' who examine the graph of past price movement, and predict future financial price movements. Our proposed model named 'CNN-FG(Convolutional Neural Network using Fluctuation Graph)' consists of five steps. In the first step, it divides the dataset into the intervals of 5 days. And then, it creates time series graphs for the divided dataset in step 2. The size of the image in which the graph is drawn is $40(pixels){\times}40(pixels)$, and the graph of each independent variable was drawn using different colors. In step 3, the model converts the images into the matrices. Each image is converted into the combination of three matrices in order to express the value of the color using R(red), G(green), and B(blue) scale. In the next step, it splits the dataset of the graph images into training and validation datasets. We used 80% of the total dataset as the training dataset, and the remaining 20% as the validation dataset. And then, CNN classifiers are trained using the images of training dataset in the final step. Regarding the parameters of CNN-FG, we adopted two convolution filters ($5{\times}5{\times}6$ and $5{\times}5{\times}9$) in the convolution layer. In the pooling layer, $2{\times}2$ max pooling filter was used. The numbers of the nodes in two hidden layers were set to, respectively, 900 and 32, and the number of the nodes in the output layer was set to 2(one is for the prediction of upward trend, and the other one is for downward trend). Activation functions for the convolution layer and the hidden layer were set to ReLU(Rectified Linear Unit), and one for the output layer set to Softmax function. To validate our model - CNN-FG, we applied it to the prediction of KOSPI200 for 2,026 days in eight years (from 2009 to 2016). To match the proportions of the two groups in the independent variable (i.e. tomorrow's stock market movement), we selected 1,950 samples by applying random sampling. Finally, we built the training dataset using 80% of the total dataset (1,560 samples), and the validation dataset using 20% (390 samples). The dependent variables of the experimental dataset included twelve technical indicators popularly been used in the previous studies. They include Stochastic %K, Stochastic %D, Momentum, ROC(rate of change), LW %R(Larry William's %R), A/D oscillator(accumulation/distribution oscillator), OSCP(price oscillator), CCI(commodity channel index), and so on. To confirm the superiority of CNN-FG, we compared its prediction accuracy with the ones of other classification models. Experimental results showed that CNN-FG outperforms LOGIT(logistic regression), ANN(artificial neural network), and SVM(support vector machine) with the statistical significance. These empirical results imply that converting time series business data into graphs and building CNN-based classification models using these graphs can be effective from the perspective of prediction accuracy. Thus, this paper sheds a light on how to apply deep learning techniques to the domain of business problem solving.

The Cross-sectional Mass Flux Observation at Yeomha Channel, Gyeonggi Bay at Spring Tide During Dry and Flood Season (단면 관측을 통한 경기만 염하수로의 대조기 평수시와 홍수시 유출입량 변화특성 조사)

  • Lee, Dong-Hwan;Yoon, Byung-Il;Kim, Jong-Wook;Gu, Bon-Ho;Woo, Seung-Buhm
    • Journal of Korean Society of Coastal and Ocean Engineers
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    • v.24 no.1
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    • pp.16-25
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    • 2012
  • To calculate the total mass flux that change in dry and flood season in the Yeomha Channel of Gyeonggi Bay, the 13 hour bottom tracking observation was performed from the southern extremity. The value of the total mass flux(Lagrange flux) was calculated as the sum of the Eulerian flux value and stroke drift value and the tidal residual flow was harmonically analyzed through the least-squares method. Moreover, the average during the tidal cycle is essential to calculate the mass flux and the tidal residual flow and there is the need to equate the grid of repeatedly observed data. Nevertheless, due to the great differences in the studied region, the number of vertical grid tends to change according to time and since the horizontal grid differs according to the transport speed of the ship as a characteristic of the bottom tracking observation, differences occur in the horizontal and vertical grid for each hour. Hence, the present study has vertically and horizontally normalized(sigma coordinate) to equate the grid per each hour. When compared to the z-level coordinate system, the Sigma coordinate system was evaluated to have no irrationalities in data analysis with 5% of error. As a result of the analysis, the tidal residual flow displayed the flow pattern of sagging in the both ends in the main waterway direction of dry season. During flood season, it was confirmed that the tidal residual flow was vertical 2-layer flow. As a result of the total mass flux, the ebb properties of 359 cm/s and 261 cm/s were observed during dry and flood season, respectively. The total mass flux was moving the intertidal region between Youngjong-do and Ganghwa-do.

Development of a Small Animal Positron Emission Tomography Using Dual-layer Phoswich Detector and Position Sensitive Photomultiplier Tube: Preliminary Results (두층 섬광결정과 위치민감형광전자증배관을 이용한 소동물 양전자방출단층촬영기 개발: 기초실험 결과)

  • Jeong, Myung-Hwan;Choi, Yong;Chung, Yong-Hyun;Song, Tae-Yong;Jung, Jin-Ho;Hong, Key-Jo;Min, Byung-Jun;Choe, Yearn-Seong;Lee, Kyung-Han;Kim, Byung-Tae
    • The Korean Journal of Nuclear Medicine
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    • v.38 no.5
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    • pp.338-343
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    • 2004
  • Purpose: The purpose of this study was to develop a small animal PET using dual layer phoswich detector to minimize parallax error that degrades spatial resolution at the outer part of field-of-view (FOV). Materials and Methods: A simulation tool GATE (Geant4 Application for Tomographic Emission) was used to derive optimal parameters of small PET, and PET was developed employing the parameters. Lutetium Oxyorthosilicate (LSO) and Lutetium-Yttrium Aluminate-Perovskite(LuYAP) was used to construct dual layer phoswitch crystal. $8{\times}8$ arrays of LSO and LuYAP pixels, $2mm{\times}2mm{\times}8mm$ in size, were coupled to a 64-channel position sensitive photomultiplier tube. The system consisted of 16 detector modules arranged to one ring configuration (ring inner diameter 10 cm, FOV of 8 cm). The data from phoswich detector modules were fed into an ADC board in the data acquisition and preprocessing PC via sockets, decoder block, FPGA board, and bus board. These were linked to the master PC that stored the events data on hard disk. Results: In a preliminary test of the system, reconstructed images were obtained by using a pair of detectors and sensitivity and spatial resolution were measured. Spatial resolution was 2.3 mm FWHM and sensitivity was 10.9 $cps/{\mu}Ci$ at the center of FOV. Conclusion: The radioactivity distribution patterns were accurately represented in sinograms and images obtained by PET with a pair of detectors. These preliminary results indicate that it is promising to develop a high performance small animal PET.

Evaluation of water drainage according to hydraulic properties of filling material of sand dam in Mullori, Chuncheon (춘천 물로리 지역 샌드댐 채움재 수리특성에 따른 배수량 평가)

  • Chung, Il-Moon;Lee, Jeongwoo;Kim, Min-Gyu;Kim, Il-Hwan
    • Journal of Korea Water Resources Association
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    • v.55 no.11
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    • pp.923-929
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    • 2022
  • The Chuncheon Mullori area is an underprivileged area of water welfare where local water supply is not supplied, and it is supplying water to the villages with small water supply facilities using lateral flow and groundwater as water sources. This is an area with poor water supply conditions, such as relying on water trucks due to water shortages during the recent severe drought. Therefore, in order to solve the problem of water shortage during drought and to prepare for the increasing water demand, a sand dam was installed along the valley, and this facility has been operating since May 2022. In this study, repeated simulations were performed according to the hydraulic conductivity of the filler material and the storage coefficient value for the inflow condition for about two years from mid-March 2020 to mid-March 2022. For each case, the amount of discharge through the perforated drain pipe was calculated. Overall, as the hydraulic conductivity increased, the amount of discharge and its ratio increased. However, when the hydraulic conductivity of the second floor was relatively low, the amount of discharge increased and then decreased as the hydraulic conductivity of the third floor increased. This is considered to be due to the fact that the water level was kept low due to the rapid drainage compared to the net inflow into the third floor because the water permeability of the third floor and the drainage coefficient of the drain pipe were large. As a result of simulating the flow of the open channel in the upper part of the sand dam as a hypothetical groundwater layer with very high hydraulic conductivity, the decrease in discharge rate was slower than the increase in the hydraulic conductivity of the hypothetical layer, but it was clearly shown that the discharge volume decreased relatively as the hydraulic conductivity of the virtual layer increased.

A Macroblock-Layer Rate Control for H.264/AVC Using Quadratic Rate-Distortion Model (2차원 비트율-왜곡 모델을 이용한 매크로블록 단위 비트율 제어)

  • Son, Nam-Rae;Lee, Guee-Sang;Yim, Chang-Hoon
    • The Journal of Korean Institute of Communications and Information Sciences
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    • v.32 no.9C
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    • pp.849-860
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    • 2007
  • Because the H.264/AVC standard adopts the variable length coding algorithm, the rate of encoded video bitstream fluctuates a lot as time flows, though its compression efficiency is superior to that of existing standards. When a video is transmitted in real-time over networks with fixed low-bandwidth, it is necessary to control the bit rate which is generated from encoder. Many existing rate control algorithms have been adopting the quadratic rate-distortion model which determines the target bits for each frame. We propose a new rate control algorithm for H.264/AVC video transmission over networks with fixed bandwidth. The proposed algorithm predicts quantization parameter adaptively to reduce video distortion using the quadratic rate-distortion model, which uses the target bit rate and the mean absolute difference for current frame considering pixel difference between macroblocks in the previous and the current frame. On video samples with high motion and scene change cases, experimental results show that (1) the proposed algorithm adapts the encoded bitstream to limited channel capacity, while existing algorithms abruptly excess the limit bit rate; (2) the proposed algorithm improves picture quality with $0.4{\sim}0.9dB$ in average.

Helicopter-borne and ground-towed radar surveys of the Fourcade Glacier on King George Island, Antarctica (남극 킹조지섬 포케이드 빙하의 헬리콥터 및 지상 레이다 탐사)

  • Kim, K.Y.;Lee, J.;Hong, M.H.;Hong, J.K.;Shon, H.
    • Geophysics and Geophysical Exploration
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    • v.13 no.1
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    • pp.51-60
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    • 2010
  • To determine subglacial topography and internal features of the Fourcade Glacier on King George Island in Antarctica, helicopter-borne and ground-towed ground-penetrating radar (GPR) data were recorded along four profiles in November 2006. Signature deconvolution, f-k migration velocity analysis, and finite-difference depth migration applied to the mixed-phase, single-channel, ground-towed data, were effective in increasing vertical resolution, obtaining the velocity function, and yielding clear depth images, respectively. For the helicopter-borne GPR, migration velocities were obtained as root-mean-squared velocities in a two-layer model of air and ice. The radar sections show rugged subglacial topography, englacial sliding surfaces, and localised scattering noise. The maximum depth to the basement is over 79m in the subglacial valley adjacent to the south-eastern slope of the divide ridge between Fourcade and Moczydlowski Glaciers. In the ground-towed profile, we interpret a complicated conduit above possible basal water and other isolated cavities, which are a few metres wide. Near the terminus, the GPR profiles image sliding surfaces, fractures, and faults that will contribute to the tidewater calving mechanism forming icebergs in Potter Cove.

Characteristics of amorphous IZTO-based transparent thin film transistors (비정질 IZTO기반의 투명 박막 트렌지스터 특성)

  • Shin, Han-Jae;Lee, Keun-Young;Han, Dong-Cheul;Lee, Do-Kyung
    • Proceedings of the Korean Institute of Electrical and Electronic Material Engineers Conference
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    • 2009.06a
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    • pp.151-151
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    • 2009
  • Recently, there has been increasing interest in amorphous oxide semiconductors to find alternative materials for an amorphous silicon or organic semiconductor layer as a channel in thin film transistors(TFTs) for transparent electronic devices owing to their high mobility and low photo-sensitivity. The fabriction of amorphous oxide-based TFTs at room temperature on plastic substrates is a key technology to realize transparent flexible electronics. Amorphous oxides allows for controllable conductivity, which permits it to be used both as a transparent semiconductor or conductor, and so to be used both as active and source/drain layers in TFTs. One of the materials that is being responsible for this revolution in the electronics is indium-zinc-tin oxide(IZTO). Since this is relatively new material, it is important to study the properties of room-temperature deposited IZTO thin films and exploration in a possible integration of the material in flexible TFT devices. In this research, we deposited IZTO thin films on polyethylene naphthalate substrate at room temperature by using magnetron sputtering system and investigated their properties. Furthermore, we revealed the fabrication and characteristics of top-gate-type transparent TFTs with IZTO layers, seen in Fig. 1. The experimental results show that by varying the oxygen flow rate during deposition, it can be prepared the IZTO thin films of two-types; One a conductive film that exhibits a resistivity of $2\times10^{-4}$ ohm${\cdot}$cm; the other, semiconductor film with a resistivity of 9 ohm${\cdot}$cm. The TFT devices with IZTO layers are optically transparent in visible region and operate in enhancement mode. The threshold voltage, field effect mobility, on-off current ratio, and sub-threshold slope of the TFT are -0.5 V, $7.2\;cm^2/Vs$, $\sim10^7$ and 0.2 V/decade, respectively. These results will contribute to applications of select TFT to transparent flexible electronics.

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Field Tests and Analysis of Groundwater System for Stabilization of Slope in Large Open-Pit Coal Mine (대규모 노천 석탄광산의 사면 안정화를 위한 지하수 유동 체계 분석)

  • Ryu, D.W.;Kim, H.M.;Oh, J.H.;Sunwoo, C.;Jung, Y.B.
    • Tunnel and Underground Space
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    • v.19 no.3
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    • pp.248-260
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    • 2009
  • With regard to oversea mineral resources development, recent trend has been changed from a simple capital investment to a direct development of the resources. In relation to the stability of a slope in large open-pit coal mine, groundwater system was investigated and the validity of horizontal drainage hole was evaluated in Pasir coal mine, Indonesia. In this work, various field tests were carried out for a characterization of groundwater system, which included in-situ permeability measurement, tracer test and monitoring of groundwater levels. Especially, the influence of SM river on the characteristics of the groundwater flow system was mainly inspected. For the permeability measurement, Guelph permeameter was employed, and was found that sandstone was more permeable than mudstone and coal seam. From a comparison of lithological structure and the results of groundwater level monitoring, sandstone and thin coal seam with fractures were found to be a main channel for groundwater flow. In the results of tracer tests, the effect of SM river on the groundwater system depends on the geological structure of its base. To identify the effect of horizontal drainage holes, 2-D groundwater modeling was performed. Four different cases were tested, which are different from the length of drainage hole and the existence of pond on top of the slope. To enhance the drainage effect and slope stability, the drainage hole should be drilled to the depth of coal seam layer, which provides a main pathway of groundwater flow and embedded by sandstone. For this purpose, correct identification of surrounding geology should be preceded.