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Reliable calculations of nuclear binding energies by the Gaussian process of machine learning

Nuclear Science and Techniques 2024年第6期35卷 130-144页

作者： Zi-Yi Yuan Dong Bai Zhen wang Zhong-zhou Ren School of Physics Science and Engineering Tongji UniversityShanghai 200092China College of Science Hohai UniversityNanjing 211100China Key Laboratory of Advanced Micro-Structure Materials Ministry of EducationShanghai 200092China

Reliable calculations of nuclear binding energies are crucial for advancing the research of nuclear physics. Machine learning provides an innovative approach to exploring complex physical problems. In this study, the nuclear binding energies are modeled directly using a machine-learning method called the Gaussian process. First, the binding energies for 2238 nuclei with Z > 20 and N > 20 are calculated using the Gaussian process in a physically motivated feature space, yielding an average deviation of 0.046 MeV and a standard deviation of 0.066 MeV. The results show the good learning ability of the Gaussian process in the studies of binding energies. Then, the predictive power of the Gaussian process is studied by calculating the binding energies for 108 nuclei newly included in AME2020. The theoretical results are in good agreement with the experimental data, reflecting the good predictive power of the Gaussian process. Moreover, the α-decay energies for 1169 nuclei with 50 ≤ Z ≤ 110 are derived from the theoretical binding energies calculated using the Gaussian process. The average deviation and the standard deviation are, respectively, 0.047 MeV and 0.070 MeV. Noticeably, the calculated α-decay energies for the two new isotopes ^ (204 )Ac(Huang et al. Phys Lett B 834, 137484(2022)) and ^ (207) Th(Yang et al. Phys Rev C 105, L051302(2022)) agree well with the latest experimental data. These results demonstrate that the Gaussian process is reliable for the calculations of nuclear binding energies. Finally, the α-decay properties of some unknown actinide nuclei are predicted using the Gaussian process. The predicted results can be useful guides for future research on binding energies and α-decay properties.

关键词： Nuclear binding energies decay Machine learning Gaussian process

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Mimotope peptide modified pompon mum-like magnetic microparticles for precise recognition,capture and biotransformation analysis of rituximab in biological fluids

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Acta Pharmaceutica Sinica B 2024年第3期14卷 1317-1328页

作者： Jiawen Yang Aixuan zhou Minyi Li Qiaoxian He Jingwei zhou Jacques Crommen Wentao wang Zhengjin Jiang Qiqin wang Institute of Pharmaceutical Analysis College of Pharmacy/State Key Laboratory of Bioactive Molecules and Druggability Assessment/International Cooperative Laboratory of Traditional Chinese Medicine Modernization and Innovative Drug Development of Ministry of Education(MOE)of ChinaJinan UniversityGuangzhou 510632China Laboratory for the Analysis of Medicines Department of Pharmaceutical SciencesCIRMUniversity of LiegeLiege B-4000Belgium SCIEX Shanghai 200050China

Due to low immobilized ligand density,limited binding capacity,and severe interference from serum proteins,developing ideal peptide-based biomaterials for precise recognition and in vivo analysis of biopharmaceuticals remains a huge *** this study,mimotope peptide modified pompon mum-like biomimetic magnetic microparticles(MMPs,3.8μm)that mimic the specific functionalities of CD20 on malignant B cells were developed for the first *** from the numerous ligand binding sites(Ni^(2+))on the pompon mum-like MMPs,these novel materials achieved≥10 times higher peptide ligand densities(>2300 mg/g)and antibody binding capacities(1380 mg/g)compared to previous reported *** the high specificity of the mimotope peptide,rituximab can be precisely recognized and enriched from cell culture media or serum *** also established an LC-MS/MS method using the MMPs for tracking rituximab biotransformation in patient ***,deamidation of Asn55 and Asn33,as well as oxidation of Met81 and Met34 were observed at the key complementarity determining regions of rituximab,which could potentially influence antibody function and require careful ***,these versatile biomimetic MMPs demonstrate superior recognition and enrichment capabilities for target antibodies,offering interesting possibilities for biotransformation analysis of biopharmaceuticals in patient serum.

关键词： Therapeutic monoclonal antibody Mimotope peptide Precise recognition Peptide-based biomaterials Biotransformation Patient serum

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Macro-microscopic dynamic characteristics of the ballast bed induced by the variation of moisture content

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Particuology 2024年第7期90卷 118-127页

作者： Shuchen wang Longlong Fu Yongjia Qiu Haonan Xi Shunhua zhou Key Laboratory of Road and Traffic Engineering of the Ministry of Education Tongji UniversityShanghai 201804China Shanghai Key Laboratory of Rail Infrastructure Durability and System Safety Tongji UniversityShanghai 201804China

Due to the excellent drainage performance of the ballast,existing studies mainly focus on the dynamic response of ballast under field capacity or *** has rarely been paid to dynamic changes in moisture content and potential *** this article,we firstly conduct a model test to determine the variation of ballast moisture content under artificial *** that,a full-scale model test with cyclic loading is carried out to study the effect of moisture content variation on the macro-microscopic response of the ballast bed,where several wireless particle sensors are installed to obtain ballast motion characteristics at strategic *** results show that the moisture content increases gradually and stabilizes at a flat peak under rainfall,despite the excellent drainage performance of ballast *** halting rainfall,the moisture content drops back to field capacity,which indicates dynamic flowing surface water on ballast particles under *** flowing surface water brings changes to the original dynamic equilibrium of ballast bed:macroscopically,the deformation rate of stabilized ballast bed increases significantly,reaching a local peak under field capacity;microscopically,the x-and z-angular accelerations of the ballast show positive correlation with rainfall *** multiscale responses indicate that field capacity is a critical moisture content.

关键词： Railway ballast Flowing surface water Wireless particle sensor Multidimensional motion Full-scale model test

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Autonomous relative optical navigation based on unified modeling of external systematic errors

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Chinese Journal of Aeronautics 2024年第3期37卷 282-289页

作者： Dayi wang Bowen SUN Maodeng LI Jiaxing LI Haiyin zhou Beijing Institute of Spacecraft System Engineering Beijing 100191China College of Sciences National University of Defense TechnologyChangsha 410073China National Key Laboratory of Space Intelligent Control Beijing Institute of Control EngineeringBeijing 100191China

To solve the problem that external systematic errors of the optical camera cannot be fully estimated due to limited computing resources,a unified dimensionality reduction representation method for the external systematic errors of the optical camera is proposed,and autonomous relative optical navigation is *** camera translational and misalignment errors are converted into a three-dimensional rotation error,whose differential model can be established through specific attitude control and appropriate ***,the rotation error and the relative motion state are jointly estimated in an augmented Kalman filter *** with the traditional method that estimates the camera translational and misalignment errors,the proposed method reduces the computational complexity in that the estimated state dimension is ***,as demonstrated by numerical simulation,the estimation accuracy is improved significantly.

关键词： Unified model Systematic errors Optical navigation Observability analysis Calibration

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Online estimation and characteristic analysis of double nugget diameters during aluminum/steel resistance spot welding process

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Journal of Iron and Steel Research International 2024年第8期31卷 2053-2067页

作者： Kang zhou Wen-xiao Yu Bao-kai Ren Gang wang School of Mechatronical Engineering Beijing Institute of TechnologyBeijing 100081China

Online estimation of the double nugget diameters was performed by means of a back propagation neural *** double nugget diameters were obtained using actual welding experiment and numerical simulation,according to different characteristics of aluminum nugget and steel *** input of the neural network was some key characteristic parameters extracted from dynamic power signal,which were peak point,knee point and their variation rate over time,as well as heat energy delivered into the welding *** architecture of the neural network was confirmed by confirming the number of neurons in hidden layer through a series of *** key parameters of the neural network were obtained by means of training 81 arrays of data ***,the neural network was used to test the remaining 20 arrays of verifying data set,and the results showed that both of the mean errors for the two nugget diameters were below 3%.In addition,corresponding analyses showed that the accuracy of two nugget diameters was higher than that of tensile-shear strength.

关键词： Resistance spot welding Aluminum Steel Double nugget Dynamic power signal.Neural network

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Peer-to-Peer Trading in Distribution Systems with the Utility's Operation

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CSEE Journal of Power and Energy Systems 2024年第2期10卷 629-638页

作者： Xuanyi Xiao Feng wang Mohammad Shahidehpour Yujia Zhai Quan zhou Department of Electrical and Information Engineering Hunan UniversityChangshaChina Robert W.Galvin Center for Electricity Innovation Ilinois Institute of TechnologyChicagoIL60616USA

To realize a liberalized peer-to-peer (P2P) electricity market in distribution systems with network security, this paper develops a general framework for P2P trading in distribution systems with the utility's operation. The model is formulated as a bi-level programming. The utility's operation is an upper level problem, where a calculation method of network usage charges for P2P trading is also proposed. Peers' P2P trading is a lower level problem. An iterative algorithm based on analytical target cascading (ATC) is proposed to solve the model, where the interactions between utility and peers are presented. Numerical results on the IEEE 33-bus system demonstrate that the proposed method realizes a liberalized P2P market and ensures network security in distribution systems.

关键词： Distribution system peer-to-peer trading electricitymarket distributed energyresources(DERs) analytical target cascading(ATC)

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Learning to Branch in Combinatorial Optimization With Graph Pointer Networks

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IEEE/CAA Journal of Automatica Sinica 2024年第1期11卷 157-169页

作者： Rui wang Zhiming zhou Kaiwen Li Tao Zhang Ling wang Xin Xu Xiangke Liao IEEE the Xiangjiang Laboratory and the College of Systems Engineering National University of Defense TechnologyChangsha 410073China the Institute of Automation Chinese Academy of SciencesBeijing 100190China the College of Systems Engineering National University of Defense TechnologyChangsha 410073 the Hunan Key Laboratory of Multi-Energy System Intelligent Interconnection Technology Changsha 410073China the Department of Automation Tsinghua UniversityBeijing 100084China the College of Intelligence Science and Technology National University of Defense TechnologyChangsha 410073China the College of Computer Science and Technology National University of Defense TechnologyChangsha 410073China

Traditional expert-designed branching rules in branch-and-bound(B&B) are static, often failing to adapt to diverse and evolving problem instances. Crafting these rules is labor-intensive, and may not scale well with complex *** the frequent need to solve varied combinatorial optimization problems, leveraging statistical learning to auto-tune B&B algorithms for specific problem classes becomes attractive. This paper proposes a graph pointer network model to learn the branch rules. Graph features, global features and historical features are designated to represent the solver state. The graph neural network processes graph features, while the pointer mechanism assimilates the global and historical features to finally determine the variable on which to branch. The model is trained to imitate the expert strong branching rule by a tailored top-k Kullback-Leibler divergence loss function. Experiments on a series of benchmark problems demonstrate that the proposed approach significantly outperforms the widely used expert-designed branching rules. It also outperforms state-of-the-art machine-learning-based branch-and-bound methods in terms of solving speed and search tree size on all the test instances. In addition, the model can generalize to unseen instances and scale to larger instances.

关键词： Branch-and-bound(B&B) combinatorial optimization deep learning graph neural network imitation learning

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Polarized imaging dynamic light scattering for simultaneous measurement of nanoparticle size and morphology

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Particuology 2024年第2期85卷 213-223页

作者： Bingyao wang Tianyi Cai Xiaoshu Cai Wu zhou Zeqi Liu Schoolof Energy and Power Engineering University of Shanghai for Science and TechnologyShanghai200093China Shanghai Key Laboratory of Multiphase Flow and Heat Transfer in Power Engineering Shanghai200093China Jiaxing MeaParTech Instrument Technology Co. LtdZhejiang314000China

The performance of nanoparticles is often affected by particle size and ***,electron microscopy or atomic force microscopy is typically utilized to determine the size and morphology of ***,there are issues such as difficult sample preparation,long processing times,and challenges in quantitative ***,it is of great significance to develop a fast,accu-rate,and statistical method to measure the size and morphology of *** this study,a new method,called polarized imaging dynamic light scattering(PIDLS),is *** nanoparticles are irradiated with a vertical linearly polarized laser beam,and a polarization camera collected the dynamic light scattering images of particles at four different polarization directions(0°,45°,90°,and 135°)at a scattering angle of 90°.The average particle size and distribution are obtained using the imaging dy-namic light scattering method at 0°polarization direction,and the morphology of the particles is ob-tained based on the depolarization patterns of the scattered *** optical sphericityΦis defined based on the degree of linear polarization(DoLP).It is also implemented for the quantitative evaluation of the sphericity of the nanoparticles,including spherical,octahedral,nanoplate,nanorod,and linear *** with the Poincarésphere parameterψ,the morphology of the nanoparticles can be roughly *** addition,PIDLS enables the measurement of particle size and morphology distributions simultaneously for evaluating the uniformity of *** effectiveness of PIDLS is verified by the measurement of five kinds of industrial titanium dioxide as well.

关键词： Imaging dynamic light scattering Polarized light scattering Non-spherical nanoparticles Morphology Online measurement

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New Problems of Boiler Corrosion after Coupling Combustion of Coal and Biomass and Anti-Corrosion Technologies

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Journal of Renewable Materials 2024年第4期12卷 799-814页

作者： Lei wang Ziran Ma Chunlin Zhao Jiali zhou Hongyan wang Ge Li Ningling zhou National Institute of Clean-and-Low-Carbon Energy Beijing102211China Key Laboratory of Energy Thermal Conversion and Control of Ministry of Education School of Energy&EnvironmentSoutheast UniversityNanjing210096China

This study explores the corrosion issues arising from the coupled combustion of coal and biomass and proposes potential ***,as a renewable energy source,offers advantages in energy-saving and carbon ***,the corrosive effects of alkali metal compounds,sulfur(S)and chlorine(Cl)elements in the ash after combustion cannot be underestimated due to the high volatile content of biomass *** investigate the corrosion mechanisms,as well as the transfer of Cl and alkali metal elements during this *** corrosion analyses are conducted among coal-fired boilers,pure biomass boilers and boilers with coupled *** biomass types in co-firing are studied to understand different corrosion *** main factors influencing corrosion include the physicochemical properties of biomass feedstock,furnace temperature and heating surface materials,with the chemical composition and ash content of biomass playing a dominant ***,the methods used for anti-corrosion include water washing pretreatment of biomass feedstock,application of novel alloys and coatings and the development of additives to inhibit fouling,ash deposition and *** inhibitors are economical and easy to ***,biomass can be converted into biomass gasification gas,although challenges related to tar still need to be addressed.

关键词： Biomass coupled combustion corrosion mechanism anti-corrosion measures

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VSAN:A new visualization method for super-large-scale academic networks

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Frontiers of Computer Science 2024年第1期18卷 119-137页

作者： Qi LI Xingli wang Luoyi FU Xinde CAO Xinbing wang Jing ZHANG Chenghu zhou Department of Electronic Engineering Shanghai Jiao Tong UniversityShanghai 200240China Department of Computer Science and Engineering Shanghai Jiao Tong UniversityShanghai 200240China School of Environmental Science and Engineering Shanghai Jiao Tong UniversityShanghai 200240China School of Oceanography Shanghai Jiao Tong UniversityShanghai 200240China Institute of Geographic Sciences and Natural Resources Research Chinese Academy of SciencesBeijing 100101China

As a carrier of knowledge,papers have been a popular choice since ancient times for documenting everything from major historical events to breakthroughs in science and *** the booming development of science and technology,the number of papers has been growing *** like the fact that Internet of Things(IoT)allows the world to be connected in a flatter way,how will the network formed by massive academic papers look like?Most existing visualization methods can only handle up to hundreds of thousands of node size,which is much smaller than that of academic networks which are usually composed of millions or even more *** this paper,we are thus motivated to break this scale limit and design a new visualization method particularly for super-large-scale academic networks(VSAN).Nodes can represent papers or authors while the edges means the relation(e.g.,citation,coauthorship)between *** order to comprehensively improve the visualization effect,three levels of optimization are taken into account in the whole design of VSAN in a progressive manner,i.e.,bearing scale,loading speed,and effect of layout *** main contributions are two folded:(1)We design an equivalent segmentation layout method that goes beyond the limit encountered by state-of-the-arts,thus ensuring the possibility of visually revealing the correlations of larger-scale academic entities.(2)We further propose a hierarchical slice loading approach that enables users to observe the visualized graphs of the academic network at both macroscopic and microscopic levels,with the ability to quickly zoom between different *** addition,we propose a“jumping between nebula graphs”method that connects the static pages of many academic graphs and helps users to form a more systematic and comprehensive understanding of various academic *** our methods to three academic paper citation datasets in the AceMap database confirms the visualization scalability of VSAN in t

关键词： academic networks large graph visualization graph layout graph loading

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