• Title/Summary/Keyword: Computational Techniques

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Degradation of Sulfonamide Antibiotic Substances by Ozonation: An Experimental and Computational Approach (설폰아미드계 항생물질의 오존산화분해에 대한 계산화학적 해석 및 실험적 검증)

  • Won, Jung Sik;Lim, Dong Hee;Seo, Gyu Tae
    • Journal of Korean Society of Environmental Engineers
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    • v.36 no.6
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    • pp.442-450
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    • 2014
  • Concern has grown over a presence of micropollutants in natural water since sulfonamide antibiotic substances such as sulfamethazine, sulfamethoxazole, sulfathiazole have been frequently detected in Nakdong River, Korea. The current work investigates the degradation of the three sulfonamide substances by using quantum chemistry calculations of density functional theory (DFT) and experimental measurement techniques of Fourier transform infrared spectroscopy (FT-IR) and ultraviolet-visible spectrophotometer (UV-VIS). DFT calculations demonstrate that the lowest energy gap between the highest occupied molecular orbital (HOMO) and the lowest unoccupied molecular orbitals (LUMO) lies in sulfanilamide functional group of sulfonamide, implying that the sulfanilamide functional group would be the most active site for ozone oxidation. Also, UV-VIS spectra and FT-IR analysis reveal that 260 nm band originated from sulfanilamide group was absent after ozone oxidation, indicating that a functional group of amine (N-H) was removed from sulfanilamide. Both theoretical and experimental observations agree well with each other, demonstrating the DFT calculation tool can be an alternative tool for the prediction of chemical reactions in purification treatment processes.

A Study on Optimum Coding Method for Correlation Processing of Radio Astronomy (전파천문 상관처리를 위한 최적 코딩 방법에 관한 연구)

  • Shin, Jae-Sik;Oh, Se-Jin;Yeom, Jae-Hwan;Roh, Duk-Gyoo;Chung, Dong-Kyu;Oh, Chung-Sik;Hwang, Ju-Yeon;So, Yo-Hwan
    • Journal of the Institute of Convergence Signal Processing
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    • v.16 no.4
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    • pp.139-148
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    • 2015
  • In this paper, the optimum coding method is proposed by using open library in order to improve the performance of a software correlator developed for Korea-Japan Joint VLBI Correlator(KJJVC). The correlation system for VLBI observing system is generally implemented with hardware using ASIC or FPGA because the computational quantity is increased geometrically according to the participated observatory number. However, the software correlation system is recently constructed at a massive server such as a cluster using software according to the development of computing power. Since VLBI correlator implemented with hardware is able to conduct data processing with real-time or quasi real-time compared with mostly observational time, software correlation has to perform optimal data processing in coding work so as to have the same performance as that of the hardware. Therefore, in this paper, the experimental comparison was conducted by open-source based fftw library released in FFT processing stage, which is the most important part of the correlator system for performing optimum coding work in software development phase, such as general method using fftw library or methods using SSE(Streaming SIMD Extensions), shared memory, or OpenMP, and method using merged techniques listed above. Through the experimental results, the proposed optimum coding method for improving the performance of developed software correlator using fftw library, shared memory and OpenMP is effectively confirmed by reducing correlation time compared with conventional method.

Boosting the Performance of Python-based Geodynamic Code using the Just-In-Time Compiler (Just-In-Time 컴파일러를 이용한 파이썬 기반 지구동역학 코드 가속화 연구)

  • Park, Sangjin;An, Soojung;So, Byung-Dal
    • Geophysics and Geophysical Exploration
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    • v.24 no.2
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    • pp.35-44
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    • 2021
  • As the execution speed of Python is slower than those of other programming languages (e.g., C, C++, and FORTRAN), Python is not considered to be efficient for writing numerical geodynamic code that requires numerous iterations. Recently, many computational techniques, such as the Just-In-Time (JIT) compiler, have been developed to enhance the calculation speed of Python. Here, we developed two-dimensional (2D) numerical geodynamic code that was optimized for the JIT compiler, based on Python. Our code simulates mantle convection by combining the Particle-In-Cell (PIC) scheme and the finite element method (FEM), which are both commonly used in geodynamic modeling. We benchmarked well-known mantle convection problems to evaluate the reliability of our code, which confirmed that the root mean square velocity and Nusselt number obtained from our numerical modeling were consistent with those of the mantle convection problems. The matrix assembly and PIC processes in our code, when run with the JIT compiler, successfully achieved a speed-up 30× and 258× faster than without the JIT compiler, respectively. Our Python-based FEM-PIC code shows the high potential of Python for geodynamic modeling cases that require complex computations.

An Algorithm of Welding Bead Detection and Evaluation Using and Multiple Filters Geodesic Active Contour (다중필터와 축지적 활성 윤곽선 알고리즘을 이용한 용접 비드 검출 및 판단 알고리즘)

  • Milyahilu, John;Kim, Young-Bong;Lee, Jae Eun;Kim, Jong-Nam
    • Journal of the Institute of Convergence Signal Processing
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    • v.22 no.3
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    • pp.141-148
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    • 2021
  • In this paper, we propose an algorithm of welding bead detection and evaluation using geodesic active contour algorithm and high pass filter with image processing technique. The algorithm uses histogram equalization and high pass filter as gaussian filter to improve contrast. The image processing techniques smoothens the welding beads reduce the noise on an image. Then, the algorithm detects the welding bead area by applying the geodesic active contour algorithm and morphological ooperation. It also applies the balloon force that either inflates in, or deflates out the evolving contour for a better segmentation. After that, we propose a method for determining the quality of welding bead using effective length and width of the detected bead. In the experiments, our algorithm achieved the highest recall, precision, F-measure and IOU as 0.9894, 0.9668, 0.9780, and 0.8957 respectively. We compared the proposed algorithm with the conventional algorithms to evaluate the performance of the proposed algorithm. The proposed algorithm achieved better performance compared to the conventional ones with a maximum computational time of 0.6 seconds for segmenting and evaluating one welding bead.

Lightweight Super-Resolution Network Based on Deep Learning using Information Distillation and Recursive Methods (정보 증류 및 재귀적인 방식을 이용한 심층 학습법 기반 경량화된 초해상도 네트워크)

  • Woo, Hee-Jo;Sim, Ji-Woo;Kim, Eung-Tae
    • Journal of Broadcast Engineering
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    • v.27 no.3
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    • pp.378-390
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    • 2022
  • With the recent development of deep composite multiplication neural network learning, deep learning techniques applied to single-image super-resolution have shown good results, and the strong expression ability of deep networks has enabled complex nonlinear mapping between low-resolution and high-resolution images. However, there are limitations in applying it to real-time or low-power devices with increasing parameters and computational amounts due to excessive use of composite multiplication neural networks. This paper uses blocks that extract hierarchical characteristics little by little using information distillation and suggests the Recursive Distillation Super Resolution Network (RDSRN), a lightweight network that improves performance by making more accurate high frequency components through high frequency residual purification blocks. It was confirmed that the proposed network restores images of similar quality compared to RDN, restores images 3.5 times faster with about 32 times fewer parameters and about 10 times less computation, and produces 0.16 dB better performance with about 2.2 times less parameters and 1.8 times faster processing time than the existing lightweight network CARN.

Improved Anatomical Landmark Detection Using Attention Modules and Geometric Data Augmentation in X-ray Images (어텐션 모듈과 기하학적 데이터 증강을 통한 X-ray 영상 내 해부학적 랜드마크 검출 성능 향상)

  • Lee, Hyo-Jeong;Ma, Se-Rie;Choi, Jang-Hwan
    • Journal of the Korea Computer Graphics Society
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    • v.28 no.3
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    • pp.55-65
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    • 2022
  • Recently, deep learning-based automated systems for identifying and detecting landmarks have been proposed. In order to train such a deep learning-based model without overfitting, a large amount of image and labeling data is required. Conventionally, an experienced reader manually identifies and labels landmarks in a patient's image. However, such measurement is not only expensive, but also has poor reproducibility, so the need for an automated labeling method has been raised. In addition, in the X-ray image, since various human tissues on the path through which the photons pass are displayed, it is difficult to identify the landmark compared to a general natural image or a 3D image modality image. In this study, we propose a geometric data augmentation technique that enables the generation of a large amount of labeling data in X-ray images. In addition, the optimal attention mechanism for landmark detection was presented through the implementation and application of various attention techniques to improve the detection performance of 16 major landmarks in the skull. Finally, among the major cranial landmarks, markers that ensure stable detection are derived, and these markers are expected to have high clinical application potential.

Analysis of Thermal Environment Impact by Layout Type of Apartment Complexes for Carbon Neutrality Net-Zero: Based on CFD Simulation (공동주택단지 배치유형별 열환경 영향성 분석: 유체역학 시뮬레이션을 기반으로)

  • Gunwon Lee;Youngtae Cho
    • Land and Housing Review
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    • v.14 no.3
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    • pp.93-106
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    • 2023
  • This study attempted to simulate changes in the thermal environment according to the type of apartment complex in Korea using CFD techniques and evaluate the thermal environment by type of apartment. First, apartment complex types in the 2000s and 2010s were referred from previous studies and four types of apartment complex were extracted from. Second, the layout of the apartment complex and temperature changes were analyzed by the direction of wind inflow. Third, a standardized model was created from each type using tower type, plate type, and mixed driving. Last, CFD simulations were performed by setting up the inflow of wind from a total of eight directions. The temperature was relatively low in the type consisting of only the tower type and the type of placing the tower type in the center of the complex, regardless of the direction of the wind. It was due to the good inflow of wind from these types to the inside of the complex. It can be interpreted because wind flows easily into the complex in these types. The findings showed that wind flow and resulting temperature distribution patterns differed depending on the building type and complex layout type, confirming the need for careful consideration of the complex layout in the early design stage. The results are expected to be used as basic data for creating a sustainable residential environment in the early design stage of apartment complexes in the future.

In-silico annotation of the chemical composition of Tibetan tea and its mechanism on antioxidant and lipid-lowering in mice

  • Ning Wang ;Linman Li ;Puyu Zhang;Muhammad Aamer Mehmood ;Chaohua Lan;Tian Gan ;Zaixin Li ;Zhi Zhang ;Kewei Xu ;Shan Mo ;Gang Xia ;Tao Wu ;Hui Zhu
    • Nutrition Research and Practice
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    • v.17 no.4
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    • pp.682-697
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    • 2023
  • BACKGROUND/OBJECTIVES: Tibetan tea is a kind of dark tea, due to the inherent complexity of natural products, the chemical composition and beneficial effects of Tibetan tea are not fully understood. The objective of this study was to unravel the composition of Tibetan tea using knowledge-guided multilayer network (KGMN) techniques and explore its potential antioxidant and hypolipidemic mechanisms in mice. MATERIALS/METHODS: The C57BL/6J mice were continuously gavaged with Tibetan tea extract (T group), green tea extract (G group) and ddH2O (H group) for 15 days. The activity of total antioxidant capacity (T-AOC) and superoxide dismutase (SOD) in mice was detected. Transcriptome sequencing technology was used to investigate the molecular mechanisms underlying the antioxidant and lipid-lowering effects of Tibetan tea in mice. Furthermore, the expression levels of liver antioxidant and lipid metabolism related genes in various groups were detected by the real-time quantitative polymerase chain reaction (qPCR) method. RESULTS: The results showed that a total of 42 flavonoids are provisionally annotated in Tibetan tea using KGMN strategies. Tibetan tea significantly reduced body weight gain and increased T-AOC and SOD activities in mice compared with the H group. Based on the results of transcriptome and qPCR, it was confirmed that Tibetan tea could play a key role in antioxidant and lipid lowering by regulating oxidative stress and lipid metabolism related pathways such as insulin resistance, P53 signaling pathway, insulin signaling pathway, fatty acid elongation and fatty acid metabolism. CONCLUSIONS: This study was the first to use computational tools to deeply explore the composition of Tibetan tea and revealed its potential antioxidant and hypolipidemic mechanisms, and it provides new insights into the composition and bioactivity of Tibetan tea.

Comparison of the Characteristics between the Dynamical Model and the Artificial Intelligence Model of the Lorenz System (Lorenz 시스템의 역학 모델과 자료기반 인공지능 모델의 특성 비교)

  • YOUNG HO KIM;NAKYOUNG IM;MIN WOO KIM;JAE HEE JEONG;EUN SEO JEONG
    • The Sea:JOURNAL OF THE KOREAN SOCIETY OF OCEANOGRAPHY
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    • v.28 no.4
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    • pp.133-142
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    • 2023
  • In this paper, we built a data-driven artificial intelligence model using RNN-LSTM (Recurrent Neural Networks-Long Short-Term Memory) to predict the Lorenz system, and examined the possibility of whether this model can replace chaotic dynamic models. We confirmed that the data-driven model reflects the chaotic nature of the Lorenz system, where a small error in the initial conditions produces fundamentally different results, and the system moves around two stable poles, repeating the transition process, the characteristic of "deterministic non-periodic flow", and simulates the bifurcation phenomenon. We also demonstrated the advantage of adjusting integration time intervals to reduce computational resources in data-driven models. Thus, we anticipate expanding the applicability of data-driven artificial intelligence models through future research on refining data-driven models and data assimilation techniques for data-driven models.

Optimization of impeller blade shape for high-performance and low-noise centrifugal pump (고성능 저소음 원심펌프 개발을 위한 임펠러 익형 최적설계)

  • Younguk Song;Seo-Yoon Ryu;Cheolung Cheong;Tae-hoon Kim;Junhyo Koo
    • The Journal of the Acoustical Society of Korea
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    • v.42 no.6
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    • pp.519-528
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    • 2023
  • The aim of this study was to enhance the flow rate and noise performance of a centrifugal pump in dishwashers by designing an optimized impeller shape through numerical and experimental investigations. To evaluate the performance of the target centrifugal pump, experiment was conducted using a pump performance tester and noise experiment was carried out in a semi-anechoic chamber with microphones and a reflecting wall behind the dishwasher. Through the use of advanced computational fluid dynamics techniques, numerical simulations were performed to analyze the flow and aeroacoustics performance of our target centrifugal pump impeller. To achieve this, numerical simulations were carried out using the Reynolds-Average Navier-Stokes equations and Ffowcs-Willliams and Hawkings equations as governing equations. In order to ensure the validity of numerical methods, a thorough comparison of numerical results with experimental results. After having confirmed the reliability of the current numerical method of this study, the optimization of the target centrifugal pump impeller was conducted. An improvement in flow rate was confirmed numerically, and a manufactured proto-type of the optimized model was used for experimental investigation. Furthermore, it was observed that by applying the fan law, we could effectively reduce noise levels without reducing the flow rate.