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MFGB: Molecular Properties Prediction leveraging Self-supervised Morgan Fingerprint Representation Learning

MFGB: Molecular Properties Prediction leveraging Self-superv...

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2023 IEEE International Conference on Bioinformatics and Biomedicine, BIBM 2023

作者： Fang, Shuyan Liu, Yu Liu, Song Wuhan University of Science and Technology School of Computer Science and Technology Wuhan China Wuhan University of Science and Technology Hubei Prov. Key Laboratory of Intelligent Information Processing and Real-Time Industrial System Wuhan China Wuhan University of Science and Technology Hubei Provincial Key Laboratory of Occupational Hazard Identification and Control Hubei Province Wuhan China

ISBN: (纸本)9798350337488

Simple molecular graphs or molecular line notations are insufficient for molecular representation learning models that automatically learn molecule representations to acquire deep semantic features about chemistry. Therefore, we proposed the Morgan Fingerprint Graph, a novel molecular graph model constructed with the nodes of the Morgan Fingerprint Identifier, whose nodes incorporate various properties of the atom neighborhood. Based on our Morgan Fingerprint Graph, we trained a BERT-based molecular representation model MFGB which employs a local rather than global attention module to adapt the model to the Morgan Fingerprint Graph. The attention module of MFGB regulates the exchange of information in the attention layer based on the connection information of the atoms in the molecules. To verify the effectiveness of MFGB, we selected several mainstream datasets for evaluation. The results demonstrated that our method improve the performance of molecular properties prediction. In addition, we analyzed MFGB from both the over-smoothing and the attention perspectives. The analysis indicates that the node vector representations learned from the Morgan Fingerprint Graph are generally less smoothing, and the attention distributions of MFGB match the partial charge density distribution of the molecules. © 2023 IEEE.

关键词： Molecular property prediction Molecular representation learning Morgan Fingerprint Self-supervised learning

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An Adaptive Power Allocation Scheme for Mini-UAV Tracking with Distributed Radar in Dense Urban Environment 10

An Adaptive Power Allocation Scheme for Mini-UAV Tracking wi...

引用

10th International Conference on control, Automation and Information sciences, ICCAIS 2021

作者： Cao, Ziyi Yuan, Ye Yi, Wei Chen, Linxiu University of Electronic Science and Technology of China School of Information and Communication Engineering Chengdu China Science and Technology on Complex System Control and Intelligent Agent Cooperation Laboratory Beijing China

ISBN: (纸本)9781665440295

In this paper, a new power allocation scheme of the distributed radar system is proposed for mini-UAV tracking tasks in urban environments, considering the influence of the building occlusion on the probability of detection. Firstly, the probability of detection of each radar node is derived according to the estimated position of the target and the visibility of each radar node. Then, according to the probability of detection, the adaptive cost function concerning the transmit power and tracking accuracy is designed and used to the formulation of the optimization problem. Simulation results show that the proposed power allocation scheme can improve the target tracking accuracy in urban environments compared to the conventional method. © 2021 IEEE.

关键词： Cost functions

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Distributed Multi-Sensor Multi-View Fusion of PHD Filter for Maneuvering Targets

Distributed Multi-Sensor Multi-View Fusion of PHD Filter for...

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2021 CIE International Conference on Radar, Radar 2021

作者： Peng, Cong Chai, Lei Yi, Wei Chen, Linxiu School of Information and Communication Engineering University of Electronic Science and Technology of China Chengdu China Science and Technology on Complex System Control and Intelligent Agent Cooperation Laboratory Beijing China

ISBN: (纸本)9781665498142

This paper addresses the problem of maneuvering multi-target tracking by a network of sensors having different and limited fields of view (FoV s). Each local sensor runs the Gaussian Mixture Probability Hypothetical Density (GMPHD) filter. Due to the target maneuver, based on a single motion model, severe tracking performance degradation can be observed. We propose to use multi-model (MM) method to realize the adaptation to motion characteristic so as to overcome maneuverability of targets. Then considering FoV s of sensors in the network are different and limited, the standard weighted arithmetic average (WAA) fusion is no longer applicable and leads to an underestimation of the target number. Therefore, we use state-dependent WAA (SD-WAA) fusion rule, which performs the WAA in a more robust way by calculating a set of state-related fusion weights. Numerical experiment is designed to demonstrate the efficacy of the proposed method. © 2021 IEEE.

关键词： fields of view gaussian mixture maneuvering multi-target tracking multi-model method probability hypothesis density filter state-dependent weighted arithmetic average

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Optical Evanescent Field for Direct Observation of Sub-100nm Particle Motion on Glass Surface 1

Optical Evanescent Field for Direct Observation of Sub-100nm...

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1st International Conference on Robotics, Engineering, science, and technology, RESTCON 2024

作者： Khajornrungruang, Panart Permpatdechakul, Thitipat Suzuki, Keisuke Blattler, Aran Terayama, Yutaka Goto, Daiki Phaisalpanumas, Pipat Bun-Athuek, Natthaphon Phunopas, Amornphun Kyushu Institute of Technology Iizuka-Shi Mechanical Science and Technology Division Dept. of Intelligent and Control System Faculty of Computer Science and Systems Engineering Fukuoka Japan Kyushu Institute of Technology Iizuka-Shi Mechanical Information Science and Technology Division Dept. of Interdisciplinary Informatics Graduate School of Computer Science and Systems Engineering Fukuoka Japan King Mongkut's University of Technology North Bangkok Bangsue Faculty of Engineering Dept. of Production and Robotics Engineering Bangkok Thailand Kyushu Institute of Technology Iizuka-Shi Mechanical Science and Technology Course Dept. of Intelligent and Control System Graduate School of Computer Science and Systems Engineering Fukuoka Japan King Mongkut's University of Technology North Bangkok Bangsue Faculty of Engineering Dept. of Industiral Engineering Bangkok Thailand King Mongkut's University of Technology North Bangkok Bangsue College of Industrial Technology Dept. of Mechanical Engineering Technology Bangkok Thailand

ISBN: (纸本)9798350348842

To directly investigate the dynamic nanoscale phenomenon on the surface being processed in wet conditions such as precision polishing, and cleaning in semiconductor industrial, an optical method for visualization and observation of each sub-100 nm sized particle that is moving on an interface such as a silica glass surface by applying an evanescent field have been proposing. Subsequently, we developed an experimental apparatus equipped with an optical microscopy system for verifying the moving particle observation method in a laboratory scale. This article introduces some experimentally direct observation results of duplicated wet processes. © 2024 IEEE.

关键词： Visualization

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Differentiator-Based Adaptive H8 Tracking control of Fully Actuated systems 3

Differentiator-Based Adaptive H8 Tracking Control of Fully A...

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3rd Conference on Fully Actuated system Theory and Applications, FASTA 2024

作者： Feng, Yuxin Li, Zhiqiang Liu, Yang He, Zhaoshui Li, Hongyi Guangdong University of Technology School of Automation Guangdong Provincial Key Laboratory of Intelligent Decision and Cooperative Control Guangzhou510006 China Qingdao University of Science and Technology School of Automation and Electronics Engineering Qingdao266061 China Guangdong University of Technology School of Automation Guangzhou510006 China Key Laboratory for IoT Intelligent Information Processing and System Integration of Ministry of Education Guangzhou510006 China

ISBN: (纸本)9798350373691

This article addresses an adaptive tracking control problem for uncertain high-order fully actuated (HOFA) systems with unknown parameters and disturbances. Under the framework of backstepping, the unknown parameter is estimated and the external disturbance is handled by using adaptive control and H8 technique, respectively. Moreover, the Levant differentiator is employed to reduce the computation burden. Additionally, the boundedness of signals in the closed-loop system is proven using the Lyapunov theory. Finally, the effectiveness of the proposed scheme is validated through the simulation study. © 2024 IEEE.

关键词： Backstepping

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Scalable Distributed Organizational Structure and Self-Organization Mechanisms for Unmanned system Cluster 9

Scalable Distributed Organizational Structure and Self-Organ...

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9th IEEE International Conference on Computer science and Network technology, ICCSNT 2021

作者： Liu, Haibo Lin, Yang Shen, Jing Wang, Xing Shi, Changting Zhang, Jiayu College of Computer Science And Technology Harbin Engineering University Harbin150001 China Science And Technology On Complex System Control Intelligent Agent Cooperation Laboratory Beijing100074 China

ISBN: (纸本)9781665443647

Reasonable control organizational structure can help an unmanned system cluster cooperate more effectively to complete tasks. Previous research of existing organizational structures has problems implementing the task in a natural environment, such as the cluster's lack of scalability. This paper proposes a three-layer scalable distributed organizational structure and dynamic self-organization mechanisms, which overcomes the lack of scalability and ensures that the cluster can still perform stably after the cluster size changes. The simulation results show that the organizational structure realizes information sharing and cross-layer control, which enhance the flexibility and stability of unmanned system clusters. Comparison results show that our achievements can make a good performance, contributing to this area of future research. © 2021 IEEE.

关键词： Scalability

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Phase Unwrapping Based on CFAR Detection for Multi-baseline InISAR

Phase Unwrapping Based on CFAR Detection for Multi-baseline ...

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2021 CIE International Conference on Radar, Radar 2021

作者： Ma, Meng Qu, Guangzhou Liu, Shuaishuai Yang, Yanjiao Pei, Hucheng Chi, Qingxi Science and Technology on Complex System Control and Intelligent Agent Cooperation Laboratory Beijing China Beijing Electro-Mechanical Engineering Institute Beijing China

ISBN: (纸本)9781665498142

A phase unwrapping method based on constant false alarm rate (CF AR) detection is proposed for multi-baseline interferometric inverse synthetic aperture radar (InISAR). Aiming at the problem of ambiguity number estimation error under the condition of phase noise, Chinese remainder theorem (CRT) and cluster analysis are utilized to acquire the probability distribution of phase noise. By introducing CFAR detection, the novel method reduced the error probability of ambiguity number estimation. Through simulation, it is verified that the novel method can effectively suppress phase noise and obtain accurate phase unwrapping results. © 2021 IEEE.

关键词： CFAR multi-baseline InISAR interferometric phase phase noise phase unwrapping

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Vision Inertial Fusion Based on BP Neural Network for Aircraft Autonomous Positioning

Vision Inertial Fusion Based on BP Neural Network for Aircra...

引用

International Conference on Guidance, Navigation and control, ICGNC 2020

作者： Liu, Haiqiao Guan, Xujun Luo, Shibin Wu, Xia Xu, Dequan School of Automation Central South University Changsha410083 China Science and Technology on Complex System Control and Intelligent Agent Cooperation Laboratory Beijing100074 China School of Aeronautics and Astronautics Central South University Changsha410083 China

ISBN: (纸本)9789811581540

Long-term navigation for aircraft in global position system (GPS) denied environment is a very challenging task. In this thesis, a novel aircraft autonomous positioning method based on fusion multi-modal image matching and inertial navigation system (INS) is proposed. This method consists of three steps. First, the coordinates of ground control points were obtained by matching the real-time image with the reference image. Then, PnP algorithm is employed for calculating the position of the aircraft. Finally, aircraft gets the optimal position by using BP neural network to combine the position estimated by inertial navigation and the results of multi-modal image matching. Simulation result displays that our method can effectively improve the positioning accuracy of aircraft. The accuracy of this method proposed in this thesis is comparable with that of GPS. Therefore, the study of this data fusion method has certain effects, the positioning accuracy can be improved of the aircraft. It is a great significance for the aircraft to achieve autonomous navigation. © 2022, The Editor(s) (if applicable) and The Author(s), under exclusive license to Springer Nature Singapore Pte Ltd.

关键词： Image matching

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Distributed Cooperative Guidance of Multi-missile with Unreliable Communications

Distributed Cooperative Guidance of Multi-missile with Unrel...

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International Conference on Autonomous Unmanned systems, ICAUS 2021

作者： Ye, Pengpeng Wei, Jianing Lu, Yu Li, Feifei Lin, Tao Science and Technology on Complex System Control and Intelligent Agent Cooperation Laboratory Beijing100074 China Beijing Electro-Mechanical Engineering Institute Beijing100074 China Department of Automation Shanghai Jiao Tong University Shanghai200240 China

ISBN: (纸本)9789811694912

The salvo attack of multi-missile is investigated, where the communication topology is randomly switching and unsustainably connected due to the unreliable links, and the probability of the packet loss is unavailable. Based on feedback linearization, a cooperative guidance protocol is developed in a fully distributed manner, in which gains can be designed incongruently for all missiles, and only the local topology information is essential. Multiple missiles disconnect with each other once the consensus of impact time is reached, and are guided to the target under the proportional navigation guidance (PNG) law individually. Sufficient conditions are established to guarantee the consensus of impact time. A simulation experiment is delivered to validate the effectiveness of the obtained results. © 2022, The Author(s), under exclusive license to Springer Nature Singapore Pte Ltd.

关键词： Feedback linearization

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Extended NNs-Based Adaptive Event-Triggered Asymptotic control for Nonlinear systems Against Actuator Faults 7

Extended NNs-Based Adaptive Event-Triggered Asymptotic Contr...

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7th International Symposium on Autonomous systems, ISAS 2024

作者： Liu, Shanlin Zhang, Yingwei Zhao, Xudong Wang, Hesheng Northeastern University College of Information Science and Engineering Shenyang China Northeastern University State Laboratory of Synthesis Automation of Process Industry Shenyang China Dalian University of Technology Faculty of Electronic Information and Electrical Engineering Dalian China Department of Automation Key Laboratory of System Control and Information Processing of Ministry of Education Key Laboratory of Marine Intelligent Equipment and System of Ministry of Education Shanghai Engineering Research Center of Intelligent Control and Management Shanghai Jiao Tong University Shanghai China

ISBN: (纸本)9798350363173

In this article, an adaptive event-triggered asymp¬totically fault-tolerant control (FTC) issue for nonlinear systems with actuator faults is investigated. An extended neural networks (NNs) technique is introduced to estimate unknown functions of the system under consideration. Compared with traditional NNs that ignore approximation errors, the proposed extended NNs further processes approximation errors, reducing the conservatism of the proposed algorithm. Then, within the framework of backstepping method, a new adaptive control strategy is developed by combining event-triggered mechanism (ETM) and bound estimation (BE) approach, which ensures the asymptotic convergence of system states while also reducing the transmission of unnecessary information, thus improving the utilization of communication resources. At the same time, the designed controller eliminates the adverse effects of actuator failures and system nonlinear terms. Finally, a simulation example of a single-link robot system is provided to demonstrate that the developed control strategy can ensure that all signals are bounded and system states are asymptotically convergent. © 2024 IEEE.

关键词： Approximation algorithms

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