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SSRN 2024年

作者： Nguyen-Thuy, Trang Tran-Van, Hoan Nguyen-Hoang, Linh Nguyen-Minh, Hoang Phan, Bach Thang Nguyen-The, Toan Kawazoe, Yoshiyuki Faculty of physics University of Science Vietnam National University – Hanoi Hanoi Viet Nam School of engineering physics Hanoi University of Technology Hanoi Viet Nam Center for Innovative Materials and Architectures Vietnam National University Ho Chi Minh City Ho Chi Minh City Viet Nam Vietnam National University HoChiMinh City Viet Nam Key Laboratory for Multiscale Simulation of Complex Systems University of Science Vietnam National University – Hanoi Hanoi Viet Nam New Industry Creation Hatchery Center Tohoku University Sendai980-8579 Japan Department of Physics and Nanotechnology SRM Institute of Science and Technology Tamil Nadu Kattankulathur603203 India School of Physics Institute of Science Suranaree University of Technology 111 University Avenue Nakhon Ratchasima30000 Thailand

Using DFT calculations, we investigate hydrogen sorption on open copper sites in various ligand coordinations of metal-organic frameworks (MOFs), including the triangle coordination T(CuL3) in MFU-4l, the linear coordination L(CuL2) in NU2100 and the paddlewheel coordination P(CuL4)2 in HKUST-1. By examining the ligand field splitting of d states and spd hybridizations in copper, we reveal the electronic mechanisms influencing hydrogen sorption performance. Despite Cu+ oxidization state which is expected to facilitate strong Kubas interaction with hydrogen molecules, the vacant s-p-dz2 hybrid orbitals of the open copper site in the L(CuL2) coordination are unsuitable for overlapping with the H2 s bonding orbital, preventing hydrogen adsorption. In contrast, the T(CuL3) and P(CuL4)2 coordinations enable hydrogen adsorption by inducing suitable hydrid orbitals. The vacant Cu s-p-dz2 hybrid orbitals in these cases can overlap with the H2 s bonding orbital to facilitate electron forward donation, forming bonding states between the Cu s-p-dz2 and H2 s bonding orbitals. The occupied Cu s-p-dxz/yz and s-p-dx2-y2 hybrid orbitals in the case of T(CuL3) promote the electron back donation to the H2 s* antibonding orbital, leading to the formation of bonding states. Conversely, in P(CuL4)2 coordination, the absence of such hybridization results in the lack of electron back donation. The complete Kubas interaction with both forward and back electron donations is responsible for a higher adsorption energy of 37.6 kJ/mol in the case of T(CuL3) than the value of 10.6 kJ/mol in the P(CuL4)2 coordination. © 2024, The Authors. All rights reserved.

关键词： Electronic structure

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An Interacting-Multiple-Model Method for Tracking a Hypersonic Glide Target

An Interacting-Multiple-Model Method for Tracking a Hyperson...

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Chinese Control and Decision Conference, CCDC

作者： Jingshuai Huang Hongbo Zhang Shang Wu Guojian Tang Weimin Bao National University of Defense Technology College of Aerospace Science and Engineering Changsha China Science and Technology on Complex Aviation Systems Simulation Laboratory Beijing

ISBN: (数字)9781728158556

ISBN: (纸本)9781728158563

In terms of tracking a hypersonic glide target (HGT), a tracking method is proposed based on interacting-multiple-model (IMM). Target tracking mainly contains two missions: system modeling and choosing filtering algorithm. First, a tracking system is established composed of state and measurement equations on basis of ground-based radar measuring. The Singer model is used to represent the unknown aerodynamic acceleration. Then, to enhance model adaptation of the tracking method, three-model interacting filter is constructed with maneuver-frequency adaption based on unscented Kalman filter (UKF). Through tracking a flight trajectory generated by Gauss Pseudospectral Method, the effectiveness of the proposed method is validated and the multiple-model is superior to the single-model.

关键词： Target tracking Radar tracking Electronic mail Kalman filters Adaptation models Mathematical model Aerospace engineering

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An Auto-Parallel Method for Deep Learning Models Based on Genetic Algorithm

An Auto-Parallel Method for Deep Learning Models Based on Ge...

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International Conference on Parallel and Distributed systems (ICPADS)

作者： Yan Zeng ChengChuang Huang YiJie Ni ChunBao Zhou JiLin Zhang Jue Wang MingYao Zhou MeiTing Xue YunQuan Zhang School of Computer Science and Technology Hangzhou Dianzi University Hangzhou China Key Laboratory for Modeling and Simulation of Complex Systems Ministry of Education Hangzhou China Data Security Governance Zhejiang Engineering Research Center Hangzhou China School of ITMO Joint Institute Hangzhou Dianzi University Hangzhou China Institute of Computer Network Information Center of the Chinese Academy of Sciences Beijing China HuaWei State Key Laboratory of Computer Architecture Institute of Computing Technology of the Chinese Academy of Sciences Beijing China

As the size of datasets and neural network models increases, automatic parallelization methods for models have become a research hotspot in recent years. The existing auto-parallel methods based on machine learning or graph algorithms still have issues with search efficiency and applicability. This paper proposes an automatic parallel method based on a dual-population genetic algorithm, TGA, which transforms model partitioning and placement into an integer linear programming problem and constructs a cost model to evaluate the solution. The solution space is built using the neural network’s dataflow graph and device cluster’s topology, and the dual-population genetic algorithm is used to search for the optimal model parallel strategy. Experiments with various models show that the proposed method can improve single-step execution time by up to 42% compared to the Baechi method and up to 37.7% compared to the Hierarchical method.

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Unmanned Marine Emergency Response System technology

Unmanned Marine Emergency Response System Technology

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2019 IEEE International Conference on Unmanned systems, ICUS 2019

作者： Zhang, Hongli Song, Yuanyun Chen, Chao Chu, Xianying Beijing Aerospace Technology Research Institute Beijing China Aviation Systems Simulation Laboratory Science and Technology on Complex Beijing China

ISBN: (纸本)9781728137926

With the global climate change, the frequency and destructiveness of emergencies in the coastal areas worldwide have increased in recent years. The rapid response of the existing equipment and means is insufficient. It is urgent to improve response speed for marine research, disaster investigation, marine rescue, maritime surveillance and other maritime emergencies. With the development of high-speed civil aircraft technology, the high-speed UAV platform can form an unmanned emergency response system, taking advantage of fast arrival, wide coverage and flexibility. The simulation shows that the unmanned emergency system has outstanding advantages compared with the existing subsonic UAV, and can effectively execute emergency marine missions. © 2019 IEEE.

关键词： Unmanned aerial vehicles (UAV)

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Multi-task Paired Masking with Alignment Modeling for Medical Vision-Language Pre-training

arXiv

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arXiv 2023年

作者： Zhang, Ke Yang, Yan Yu, Jun Jiang, Hanliang Fan, Jianping Huang, Qingming Han, Weidong The Key Laboratory of Complex Systems Modeling and Simulation School of Computer Science and Technology Hangzhou Dianzi University Hangzhou310018 China Regional Medical Center for National Institute of Respiratory Diseases Sir Run Run Shaw Hospital College of Medicine Zhejiang University Hangzhou310016 China AI Lab at Lenovo Research 100094 China The School of Computer Science and Technology University of Chinese Academy of Sciences Beijing101408 China The Department of Medical Oncology at Sir Run Run Shaw Hospital College of Medicine Zhejiang University Hangzhou China The College of Mathematical Medicine Zhejiang Normal University Jinhua China

In recent years, the growing demand for medical imaging diagnosis has placed a significant burden on radiologists. As a solution, Medical Vision-Language Pre-training (Med-VLP) methods have been proposed to learn universal representations from medical images and reports, benefiting downstream tasks without requiring fine-grained annotations. However, existing methods have overlooked the importance of cross-modal alignment in joint image-text reconstruction, resulting in insufficient cross-modal interaction. To address this limitation, we propose a unified Med-VLP framework based on Multi-task Paired Masking with Alignment (MPMA) to integrate the cross-modal alignment task into the joint image-text reconstruction framework to achieve more comprehensive cross-modal interaction, while a Global and Local Alignment (GLA) module is designed to assist self-supervised paradigm in obtaining semantic representations with rich domain knowledge. Furthermore, we introduce a Memory-Augmented Cross-Modal Fusion (MA-CMF) module to fully integrate visual information to assist report reconstruction and fuse the multi-modal representations adequately. Experimental results demonstrate that the proposed unified approach outperforms previous methods in all downstream tasks, including uni-modal, cross-modal, and multimodal tasks. Copyright © 2023, The Authors. All rights reserved.

关键词： Alignment

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A grain level model for deformation and failure of ultrafine-grained tungsten

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science China(Technological sciences) 2019年第5期62卷 755-761页

作者： REN Ke CHEN LiRong CHENG YangYang WANG JianXiang DUAN HuiLing State Key Laboratory for Turbulence and Complex Systems Department of Mechanics and Engineering Science College of EngineeringPeking University Key Laboratory of High Energy Density Physics Simulation Center of Applied Physics and Technology BIC-ESAT and IFSA Collaborative Innovation Center of MoE Peking University

Ultrafine-grained tungsten(UFG W) produced by severe plastic deformation technology has many potential applications due to its high strength and ductility. To reveal the mechanism for the high ductility of UFG W, the deformation and failure behaviors of coarse-grained tungsten(CG W) and UFG W have been compared based on a three-dimensional crystal plastic finite element method(CPFEM) simulation. Cohesive element method has been utilized to model the behavior of grain boundaries(GBs). Both plastic deformation in grain interiors and grain boundary opening have been observed in different periods of deformation in UFG W. It is concluded that the high GB density and elongated microstructure in the UFG W suppress crack propagation, decrease the stress concentration and impurity concentration on GBs, therefore enhance the ductility of the material.

关键词： ultrafine grain(UFG) tungsten crystal plasticity interface failure

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A Solution Analysis of U.S. Weapon Equipment systems-of-systems Development and Application

A Solution Analysis of U.S. Weapon Equipment Systems-of-Syst...

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International Conference on Information science and Control Engineering (ICISCE)

作者： Menglong Lin Shuanghui Yi Mengmeng Zhang Zhen Shu Science and Technology on Information Systems Engineering Laboratory National University of Defense Technology Changsha China National Key Laboratory for Complex System Simulation Beijing China

In recent years, the development and deployment of the U.S. weapon equipment systems-of-systems (SoS) have yielded rich research results. However, there are still large gaps in the SoS development, joint testing, and design and acquisition of our own equipment SoS. The barriers of these steps have not yet been opened up. This article mainly analyzes the solutions of the U.S. weapon equipment SoS from three aspects, such as capability-based requirement generation and architecture design technology, interconnected-oriented integration test technology, and weapon equipment design and acquisition technology based on complex adaptive systems. We explore key technologies involved in order to form an overall understanding and explore related research approaches.

关键词： Technological innovation Adaptive systems Weapons Agent-based modeling Planning Sustainable development System analysis and design

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A KDC-enhanced closest point method for thermal analysis on curved geometries using LS-GFDM

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Applied Mathematics Letters 2025年 171卷

作者： Zhuochao Tang Jiming Gu Bin Chen Zhuojia Fu School of Management Science and Engineering Anhui University of Technology Maanshan 243002 China Key Laboratory of Multidisciplinary Management and Control of Complex Systems of Anhui Higher Education Institutes Maanshan 243002 China Center for Numerical Simulation Software in Engineering and Sciences College of Mechanics and Engineering Science Hohai University Nanjing 211100 China

This paper presents a Krylov-deferred correction (KDC)-enhanced closest point method (CPM) integrated with the least-squares generalized finite difference method (LS-GFDM) for thermal analysis on curved geometries. To overcome the inherent limitations of conventional single-step/multi-step temporal schemes in long-time simulations, we systematically unify three advanced components: (i) CPM’s embedding strategy that transforms surface PDEs into extended problems over Cartesian grids, (ii) LS-GFDM’s spatial discretization employing dual point sets to enhance applicability beyond conventional GFDM, and (iii) KDC’s predictor–corrector framework that iteratively refines temporal solutions to achieve high-order accuracy. Building upon our previous work (Tang et al. 2025) where LS-GFDM was integrated with CPM using explicit Euler temporal schemes, this study constitutes a critical advancement by replacing low-order temporal discretization with the KDC methodology. Numerical experiments demonstrate that our KDC-CPM-LSGFDM framework achieves superior numerical performance.

关键词： Closest point Heat conduction Krylov deferred correction Least-squares Long time

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Graph-based reinforced multi-objective optimization for distributed heterogeneous flexible job shop scheduling problem under nonidentical time-of-use electricity tariffs

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Expert systems with Applications 2025年 290卷

作者： Qichen Zhang Weishi Shao Zhongshi Shao Dechang Pi School of Computer and Electronic Information/School of Artificial Intelligence Nanjing Normal University Nanjing China Key Laboratory of Numerical Simulation for Large Scale Complex Systems Ministry of Education China College of Computer Science and Technology Nanjing University of Aeronautics and Astronautics Nanjing China School of Computer Science Shaanxi Normal University Xi’an China

With the rapid development of industrial globalization and diversification, the application of distributed and heterogeneous systems in production scheduling has become increasingly widespread. This paper studies a distributed heterogeneous flexible job shop scheduling problem under nonidentical time-of-use electricity tariffs (DHFJSP-NTOU) that uniquely integrates three underexplored dimensions: heterogeneous factories with time-dependent processing capabilities, geographically varying time-of-use electricity tariffs, and dual optimization of production efficiency and energy sustainability. A mixed-integer linear programming (MILP) model for DHFJSP-NTOU is established. To solve the DHFJSP-NTOU, a graph-reinforced multi-objective optimization algorithm (GRMO) is developed, which features three innovations: a hybrid initialization strategy balancing greedy heuristics and solution diversity, a graph neural network (GNN) framework dynamically encoding operational interdependencies and factory-specific constraints, and a reinforcement learning-driven adaptive operator selection mechanism using proximal policy optimization (PPO) for intelligent search guidance. Finally, comprehensive experiments are carried out to assess the performance of both the MILP model and the components of the GRMO. The experimental outcomes indicate that the GRMO outperforms several of the most recent high-performance methods in solving the DHFJSP-NTOU problem. The structural analysis further validates that the GNN-based feature extraction enhances search efficiency compared to conventional methods. These innovations provide a new paradigm for addressing the challenges of sustainable scheduling in distributed manufacturing systems with heterogeneous resources.

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Parametric model reduction via rational interpolation along parameters

arXiv

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arXiv 2021年

作者： Gosea, Ion Victor Gugercin, Serkan Unger, Benjamin Max Planck Institute for Dynamics of Complex Technical Systems Sandtorstr. 1 Magdeburg39106 Germany Department of Mathematics and Computational Modeling and Data Analytics Division Academy of Integrated Science VirginiaTech BlacksburgVA24061 United States SC Simulation Technology University of Stuttgart Germany

We present a novel projection-based model reduction framework for parametric linear time-invariant systems that allows interpolating the transfer function at a given frequency point along parameter-dependent curves as opposed to the standard approach where transfer function interpolation is achieved for a discrete set of parameter and frequency samples. We accomplish this goal by using parameter-dependent projection spaces. Our main result shows that for holomorphic system matrices, the corresponding interpolatory projection spaces are also holomorphic. The coefficients of the power series representation of the projection spaces can be computed iteratively using standard methods. We illustrate the analysis on three numerical *** Codes 93C05, 93C35, 32E30 Copyright © 2021, The Authors. All rights reserved.

关键词： Transfer functions

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