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Influence of fatty alcohol mixing ratios on the physicochemical properties of stearyl-cetyl alcohol-polysorbate 60-water ternary system: Insights from experiments and computer simulations

arXiv

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arXiv 2021年

作者： Hoang, Vu Dang Cong, Cao Phuong Tran, Hung Huu Nguyen, Hue Minh Thi Nguyen, Toan T. Department of Analytical Chemistry and Toxicology Hanoi University of Pharmacy 13-15 Le Thanh Tong street Hanoi Viet Nam Key Laboratory for Multiscale Simulation of Complex Systems VNU University of Science Vietnam National University 334 Nguyen Trai street Thanh Xuan Hanoi120401 Viet Nam Faculty of Chemistry and Center for Computational Science Hanoi National University of Education 136 Xuan Thuy street Cau Giay Hanoi Viet Nam

The structure and stability of ternary systems prepared with polysorbate 60 and various combinations of cetyl (C16) and stearyl (C18) alcohols were examined as they aged over 3 months at 25◦C. Rheological results showed that the consistency of these systems increased initially during roughly the first week of aging, which was succeeded by little changes in consistency (systems containing from 30% to 70% C18, with the 50% C18 system showing the highest consistencies) or significant breakdown of structure (remaining systems). The formation and/or disintegration of all ternary systems were also detected by microscopy and differential scanning calorimetry experiments. This study emphasizes the fact that the structure and consistency of ternary systems are dominantly controlled by the swelling capacity of the lamellar gel phase. Molecular dynamics simulations were performed to provide details on the molecular mechanism of stability. Computational results support the hypothesis experimentally proposed for the stability of the mixed system being due to an increase flexibility of the alcohol with a longer hydrocarbon chain. Computational results are in excellent agreement with experimental conclusions. Additionally, they show that in the mixed system, alcohols with shorter hydrocarbon chain become more rigid. These molecular details could not be available in experimental measurements. Copyright © 2021, The Authors. All rights reserved.

关键词： Molecular dynamics

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Query modeling for click data based image recognition using graph based propagation and sparse coding

Query modeling for click data based image recognition using ...

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9th International Conference on Internet Multimedia Computing and Service, ICIMCS 2017

作者： Wu, Weichen Tan, Min Zheng, Guangjian Yu, Jun Key Laboratory of Complex Systems Modeling and Simulation School of Computer Science and Technology Hangzhou Dianzi University Hangzhou310018 China

ISBN: (纸本)9789811085291

We address the fine-grained image recognition problem using user click data, wherein each image is represented as a semantical query-click feature vector. Usually, the query set obtained from search engines is large-scale and redundant. We propose a novel query modeling approach to merge semantically similar queries and construct a compact click feature. We represent each query as a click feature, and design a graph based propagation approach to predict the zero-clicks, ensuring similar images have similar clicks. Afterwards, using this feature, we formulate the problem as a sparse coding based recognition task, wherein the dictionary is discriminatively trained. We evaluate our method for fine-grained image recognition on the public Clickture-Dog dataset. It is shown that, the propagated click feature performs much better than the original one. Also, sparse coding performs better than K-means in query merging. © Springer Nature Singapore Pte Ltd. 2018.

关键词： Image recognition

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Arbitrary high-order linear structure-preserving schemes for the regularized long-wave equation

arXiv

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arXiv 2021年

作者： Jiang, Chaolong Qian, Xu Song, Songhe Cui, Jin Department of Mathematics College of Liberal Arts and Science National University of Defense Technology Changsha410073 China School of Statistics and Mathematics Yunnan University of Finance and Economics Kunming650221 China Department of Basic Sciences Nanjing Vocational College of Information Technology Nanjing210023 China Jiangsu Key Laboratory for Numerical Simulation of Large Scale Complex Systems School of Mathematical Sciences Nanjing Normal University Nanjing210023 China

In this paper, a class of arbitrarily high-order linear momentum-preserving and energy-preserving schemes are proposed, respectively, for solving the regularized long-wave equation. For the momentum-preserving scheme, the key idea is based on the extrapolation/prediction-correction technique and the symplectic Runge-Kutta method in time, together with the standard Fourier pseudo-spectral method in space. We show that the scheme is linear, high-order, unconditionally stable and preserves the discrete momentum of the system. For the energy-preserving scheme, it is mainly based on the energy quadratization approach and the analogous linearized strategy used in the construction of the linear momentum-preserving scheme. The proposed scheme is linear, high-order and can preserve a discrete quadratic energy exactly. Numerical results are addressed to demonstrate the accuracy and efficiency of the proposed scheme. Copyright © 2021, The Authors. All rights reserved.

关键词： Runge Kutta methods

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Construction of dimeric hTSPO protein model using homology modeling and molecular dynamics

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Journal of Physics: Conference Series 2021年第1期1932卷

作者： Hien T T Lai Toan T Nguyen Key Laboratory for Multiscale Simulation of Complex Systems VNU University of Science Vietnam National University - Hanoi 334 Nguyen Trai street Thanh Xuan district Hanoi Vietnam

A model for the dimeric form of the human TSPO (hTSPO) protein is constructed homologically using the RsTSPO dimer template. Then, Molecular dynamics simulation of 1μs is carried out on the model to investigate its stability as well as to study its various physicochemical properties. Our model shows good stability, with various important conserved residues involving in monomer–monomer interactions, in good agreements with available experimental data. Several functioning motifs are well demonstrated. This model hence can serve as a good basis for further study of this system as well as for discoveries of candidate radioligands targeting TSPO protein as a biotracer for medical imaging of brain inflamation.

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On the holographic phase transitions at finite topological charge

arXiv

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arXiv 2020年

作者： Phat, Tran Huu Nguyen, Toan T. Vietnam Atomic Energy Commission 59 Ly Thuong Kiet Hanoi Viet Nam Key Laboratory for Multiscale Simulation of Complex Systems University of Science Vietnam National University Hanoi 334 Nguyen Trai street Thanh Xuan district Hanoi120000 Viet Nam

Exploring the significant impacts of topological charge on the holographic phase transitions and conductivity we start from an Einstein Maxwell system coupled with a charged scalar field in Anti de Sitter spacetime. In our set up, the corresponding black hole (BH) is chosen to be the topological AdS one where the pressure is identified with the cosmological constant [12]. Our numerical computation shows that the process of condensation is favored at finite topological charge and, in particular, the pressure variation in the bulk generates a mechanism for changing the order of phase transitions in the boundary: the second order phase transitions occur at pressures higher than the critical pressure of the phase transition from small to large BHs while they become first order at lower pressures. This property is confirmed with the aid of holographic free energy. Finally, the frequency dependent conductivity exhibits a gap when the phase transition is second order and when the phase transition becomes first order this gap is either reduced or totally lost. Copyright © 2020, The Authors. All rights reserved.

关键词： Holography

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Quality Control and Evaluation of the Observed Daily Data in the North American Soil Moisture Database

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Journal of Meteorological Research 2019年第3期33卷 501-518页

作者： Weilin LIAO Dagang WANG Guiling WANG Youlong XIA Xiaoping LIU School of Geography and Planning Sun Yat-sen University Guangzhou 510275 China Guangdong Key Laboratory for Urbanization and Geo-simulation Sun Yat-sen University Guangzhou 510275 China Key Laboratory of Water Cycle and Water Security in Southern China of Guangdong High Education Institute Sun Yat-sen University Guangzhou 510275 China Department of Civil and Environmental Engineering University of Connecticut Storrs CT 06269 USA I. M. Systems Group Environmental Modeling Center National Centers for Environmental Prediction College Park MD 20740 USA

The North American Soil Moisture Database (NASMD) was initiated in 2011 to assemble and homogenize in situ soil moisture measurements from 32 observational networks in the United States and Canada encompassing more than 1800 stations. Although statistical quality control (QC) procedures have been applied in the NASMD, the soil moisture content tends to be systematically underestimated by in situ sensors in frozen soils, and using a single maximum threshold (i.e., 0.6 m3 m-3) may not be sufficient for robust QC because of the diverse soil textures in North America. In this study, based on the in situ soil porosity and North American Land Data Assimilation System phase 2 (NLDAS-2) Noah soil temperature, the simple automated QC method is revised to supplement the existing QC approach. This revised QC method is first validated based on the assessment at 78 of the Soil Climate Analysis Network (SCAN) stations where the manually checked data are available, and is then applied to all stations in the NASMD to produce a more strict quality-controlled dataset. The results show that the revised automated QC procedure can flag the spurious and erroneous soil moisture measurements for the SCAN stations, especially for those located in high altitudes and latitudes. Relative to station measurements in the original NASMD, the quality-controlled data show a slightly better agreement with the manually checked soil moisture content. It should be noted that this quality-controlled dataset may be over-flagged for some valid soil moisture measurements due to potential errors of the soil temperature and soil porosity data, and validation in this study is limited by the availability of benchmark soil moisture data. The updated QC and additional validation will be desirable to boost confidence in the product when high-quality data become available in the future.

关键词： North American Soil Moisture Database (NASMD) quality control soil moisture North American Land Data Assimilation System phase 2 (NLDAS-2) soil temperature soil porosity

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Automatic Term Recognition Method for Military Domain

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Journal of Physics: Conference Series 2021年第1期2078卷

作者： Ani Song Xiaoxia Jia Wei Jiang North China Institute of Computing Technology Beijing 100083 China National key Laboratory for Complex Systems Simulation. Department of Systems General Design. Institute of Systems Engineering. AMS. Beijing 100083 China

With the development of military intelligence, higher requirements are put forward for automatic term recognition in military field. In view of the characteristics of flexible and diverse naming of military requirement documents without annotated corpus, the method of this paper uses the existing military domain core database, and matches the data set and core database by Aho-Corasic algorithm and word segmentation technology, so that the terms to be recognized in the data set can be divided into three types. The possible rules of word formation of military terms are summarized and phrases that conform to the rules of word formation are found in the documents as the term candidate set. The core library and TF-IDF method are used to calculate the value of the candidate terms, and the candidate terms whose value is greater than the threshold are selected iteratively as the real terms. The experimental results show that the F1 value of this method reaches 0.719, which is better than the traditional C-value method. Therefore, the method proposed in this paper can achieve better automatic term recognition effect for military requirement documents without annotation.

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On Exploring Undetermined Relationships for Visual Relationship Detection

On Exploring Undetermined Relationships for Visual Relations...

引用

IEEE/CVF Conference on Computer Vision and Pattern Recognition

作者： Yibing Zhan Jun Yu Ting Yu Dacheng Tao Key Laboratory of Complex Systems Modeling and Simulation School of Computer Science and Technology Hangzhou Dianzi University UBTECH Sydney AI Centre School of Computer Science FEIT University of Sydney

ISBN: (纸本)9781728132945

In visual relationship detection, human-notated relationships can be regarded as determinate relationships. However, there are still large amount of unlabeled data, such as object pairs with less significant relationships or even with no relationships. We refer to these unlabeled but potentially useful data as undetermined relationships. Although a vast body of literature exists, few methods exploit these undetermined relationships for visual relationship detection. In this paper, we explore the beneficial effect of undetermined relationships on visual relationship detection. We propose a novel multi-modal feature based undetermined relationship learning network (MF-URLN) and achieve great improvements in relationship detection. In detail, our MF-URLN automatically generates undetermined relationships by comparing object pairs with human-notated data according to a designed criterion. Then, the MF-URLN extracts and fuses features of object pairs from three complementary modals: visual, spatial, and linguistic modals. Further, the MF-URLN proposes two correlated subnetworks: one subnetwork decides the determinate confidence, and the other predicts the relationships. We evaluate the MF-URLN on two datasets: the Visual Relationship Detection (VRD) and the Visual Genome (VG) datasets. The experimental results compared with state-of-the-art methods verify the significant improvements made by the undetermined relationships, e.g., the top-50 relation detection recall improves from 19.5% to 23.9% on the VRD dataset.

关键词： Visualization Fuses Dataset

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Priority-Based Optimization of I/O Isolation for Hybrid Deployed Services 15th

Priority-Based Optimization of I/O Isolation for Hybrid Depl...

引用

15th EAI International Conference on Collaborative Computing: Networking, Applications and Worksharing, CollaborateCom 2019

作者： Zhang, Jiancheng Li, Youhuizi Zhou, Li Ren, Zujie Wan, Jian Wang, Yuan Key Laboratory of Complex Systems Modeling and Simulation Ministry of Education Hangzhou Dianzi University Hangzhou China School of Computer Science and Technology Hangzhou Dianzi University Hangzhou China Zhejiang Lab Hangzhou China School of Information and Electronic Engineering Zhejiang University of Science and Technology Hangzhou China Key Enterprise Research Institute of NetEase Big Data of Zhejiang Province Netease Hangzhou Network Co.Ltd Hangzhou China

ISBN: (纸本)9783030301453

With the increasing of software complexity and user demands, collaborative service is becoming more and more popular. Each service focuses on its own specialty, their cooperation can support complicated task with high efficiency. To improve the resources utilization, virtualization technology like container is used and it enables multiple services running in the same physical machine. However, since the host physical machine is shared by several services, the resource competition is inevitable. Isolation is an effective solution, but the weak isolation mechanisms of container cannot handle such complicated scenarios. In the worst situation, the performance of services cannot meet the requirements and the system may crash. In order to solve this problem, we propose a priority-based optimization mechanism for I/O isolation after analyzing the characteristics of typical service workloads. Based on the real-time performance data, priority is automatically assigned to each service and corresponding optimization methods are applied. We evaluate the optimization effects of the priority-based mechanism in both static and dynamic workload cases, besides, the influence of different priority order is also analyzed. The experimental results show that our approach can indeed improve the system performance and guarantee the requirements of all the running services are satisfied. © 2019, ICST Institute for Computer Sciences, Social Informatics and Telecommunications Engineering.

关键词： Containers

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Hierarchical convolutional features for end-to-end representation-based visual tracking

Hierarchical convolutional features for end-to-end represent...

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作者： Zhu, Suguo Fang, Zhenying Gao, Fei Key Laboratory of Complex Systems Modeling and Simulation School of Computer Science and Technology Hangzhou Dianzi University Hangzhou310018 China State Key Laboratory of Integrated Services Networks Xidian University Xian710071 China

Recently, deep learning is widely developed in computer vision applications. In this paper, a novel simple tracker with deep learning is proposed to complete the tracking task. A simple fully convolutional Siamese network is applied to capture the similarity between different frames. Nevertheless, the detailed information from lower layers, which is also important for locating the target object, is not considered into the tracking task. In this paper, the detailed information from two lower layers is considered into the response map to improve the performance and not to increase much time spent. This leads more significant improvement for feature representation and localization of the target object. The experimental results demonstrate that the proposed algorithm is efficient and robust compared with the baseline and the state-of-the-art trackers. © 2018, Springer-Verlag GmbH Germany, part of Springer Nature.

关键词： Deep neural networks

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