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arXiv 2023年

作者： Pei, Qizhi Gao, Kaiyuan Wu, Lijun Zhu, Jinhua Xia, Yingce Xie, Shufang Qin, Tao He, Kun Liu, Tie-Yan Yan, Rui Gaoling School of Artificial Intelligence Renmin University of China China School of Computer Science and Technology Huazhong University of Science and Technology China Microsoft Research AI4Science China School of Information Science and Technology University of Science and Technology of China China Engineering Research Center of Next-Generation Intelligent Search and Recommendation Ministry of Education China Beijing Key Laboratory of Big Data Management and Analysis Methods China

Modeling the interaction between proteins and ligands and accurately predicting their binding structures is a critical yet challenging task in drug discovery. Recent advancements in deep learning have shown promise in addressing this challenge, with sampling-based and regression-based methods emerging as two prominent approaches. However, these methods have notable limitations. Sampling-based methods often suffer from low efficiency due to the need for generating multiple candidate structures for selection. On the other hand, regression-based methods offer fast predictions but may experience decreased accuracy. Additionally, the variation in protein sizes often requires external modules for selecting suitable binding pockets, further impacting efficiency. In this work, we propose FABind, an end-to-end model that combines pocket prediction and docking to achieve accurate and fast protein-ligand binding. FABind incorporates a unique ligand-informed pocket prediction module, which is also leveraged for docking pose estimation. The model further enhances the docking process by incrementally integrating the predicted pocket to optimize protein-ligand binding, reducing discrepancies between training and inference. Through extensive experiments on benchmark datasets, our proposed FABind demonstrates strong advantages in terms of effectiveness and efficiency compared to existing methods. Our code is available at Github3 Copyright © 2023, The Authors. All rights reserved.

关键词： Ligands

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A method for detecting floating objects on water based on edge computing

A method for detecting floating objects on water based on ed...

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IEEE International Symposium on Broadband Multimedia Systems and Broadcasting (BMSB)

作者： He Li Shuaipeng Yang Jinjiang Liu Honglin Fang Zhumu Fu Rui Zhang Huimei Jia Lianmeng Lv Henan Costar Group Co. Ltd Nanyang Henan China College of Information Engineering Henan University of Science and Technology Luoyang Henan China Henan Engineering Research Center of Intelligent Processing for Big Data of Digital Image School of Computer Science and Technology Nanyang Normal University Nanyang China State Key Laboratory of Networking and Switching Technology Beijing University of Posts and Telecommunication Beijing China Xi'an Hengpin Electronic Technology Co. Ltd Xi’an China

With the development and application of computer vision, many target detection networks are applied to the detection of floating objects in rivers. For the detection problems such as small targets easily missed and misdetected in water surface floating object detection tasks and difficult to deploy models. An edge computing-oriented approach to river floater detection is proposed. First, a four-fold down-sampling feature layer is added to the YOLOv5 network which enhances more target detail features and improves the detection capability of small objects. Second, CA (Coordinate Attention) is added to the Backbone to suppress background noise interference, and different pooling is used to accommodate different hierarchical features. Then, a bilinear interpolation method is adopted for up-sampling to avoid the loss of small object features. Design a data enhancement algorithm for small targets based on Mosaic to increase the number of small objects and enrich the training background. Finally, for the edge computing architecture platform, the channel pruning algorithm is used to prune and compress the model structure to adapt to the computing capability of edge devices. The experimental results show that the method can effectively improve the detection capability of the network for floating objects on the water surface. The detection accuracy can reach 93.6%, and the detection speed can be maintained at 36 frames per second, which can achieve high-precision real-time detection of floating objects on the water surface.

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GRIDLESS TOMOGRAPHIC SAR IMAGING BASED ON ACCELERATED ATOMIC NORM MINIMIZATION WITH EFFICIENCY

arXiv

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arXiv 2022年

作者： Gao, Silin Zhang, Zhe Zhang, Bingchen Wu, Yirong Aerospace Information Research Institute Chinese Academy of Sciences Beijing100094 China Key Laboratory of Technology in Geo-spatial Information Processing and Application System Chinese Academy of Sciences Beijing100190 China School of Electronic Electrical and Communication Engineering University of Chinese Academy of Sciences Beijing100049 China Key Laboratory of Intelligent Aerospace Big Data Application Technology Suzhou215123 China Suzhou Aerospace Information Research Institute Suzhou215123 China

Synthetic aperture radar (SAR) tomography (TomoSAR) enables the reconstruction and three-dimensional (3D) localization of targets based on multiple two-dimensional (2D) observations of the same scene. The resolving along the elevation direction can be treated as a line spectrum estimation problem. However, traditional super-resolution spectrum estimation algorithms require multiple snapshots and uncorrelated targets. Meanwhile, as the most popular TomoSAR imaging method in modern years, compressed sensing (CS) based methods suffer from the gridding mismatch effect which markedly degrades the imaging performance. As a gridless CS approach, atomic norm minimization can avoid the gridding effect but requires enormous computing resources. Addressing the above issues, this paper proposes an improved fast ANM algorithm to TomoSAR elevation focusing by introducing the IVDST-ANM algorithm, which reduces the huge computational complexity of the conventional time-consuming semi-positive definite programming (SDP) by the iterative Vandermonde decomposition and shrinkage-thresholding (IVDST) approach, and retains the benefits of ANM in terms of gridless imaging and single snapshot recovery. We conducted experiments using simulated data to evaluate the performance of the proposed method, and reconstruction results of an urban area from the SARMV3D-Imaging 1.0 dataset are also presented. Copyright © 2022, The Authors. All rights reserved.

关键词： Compressed sensing

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A novel TomoSAR imaging method with few observations based on nested array

arXiv

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arXiv 2022年

作者： Jiang, Pengyu Zhang, Zhe Zhang, Bingchen Xu, Zhongqiu Key Laboratory of Technology in Geo-Spatial Information Processing and Application System Chinese Academy of Sciences Beijing100190 China Aerospace Information Research Institute Chinese Academy of Sciences Beijing100094 China School of Electronic Electrical and Communication Engineering University of Chinese Academy of Sciences Beijing100049 China Suzhou Aerospace Information Research Institute Suzhou215000 China Key Laboratory of Intelligent Aerospace Big Data Application Technology Suzhou21500 China

Synthetic aperture radar tomography (TomoSAR) baseline optimization technique is capable of reducing system complexity and improving the temporal coherence of data, which has become an important research in the field of TomoSAR. In this paper, we propose a nested TomoSAR technique, which introduces the nested array into TomoSAR as the baseline configuration. This technique obtains uniform and continuous difference co-array through nested array to increase the degrees of freedom (DoF) of the system and expands the virtual aperture along the elevation direction. In order to make full use of the difference co-array, covariance matrix of the echo needs to be obtained. Therefore, we propose a TomoSAR sparse reconstruction algorithm based on nested array, which uses adaptive covariance matrix estimation to improve the estimation performance in complex scenes. We demonstrate the effectiveness of the proposed method through simulated and real data experiments. Compared with traditional TomoSAR and coprime TomoSAR, the imaging results of our proposed method have a better anti-noise performance and retain more image information. Copyright © 2022, The Authors. All rights reserved.

关键词： Covariance matrix

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Meet Changes with Constancy: Learning Invariance in Multi-Source Translation 28

Meet Changes with Constancy: Learning Invariance in Multi-So...

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28th International Conference on Computational Linguistics, COLING 2020

作者： Liu, Jianfeng Luo, Ling Ao, Xiang Song, Yan Xu, Haoran Ye, Jian Institute of Computing Technology Chinese Academy of Sciences Beijing China University of Chinese Academy of Sciences China Beijing Key Laboratory of Mobile Computing and Pervasive Device China Key Laboratory of Intelligent Information Processing Chinese Academy of Sciences China The Chinese University of HongKong Shenzhen China Shenzhen Research Institute of Big Data China

ISBN: (纸本)9781952148279

Multi-source neural machine translation aims to translate from parallel sources of information (e.g. languages, images, etc.) to a single target language, which has shown better performance than most one-to-one systems. Despite the remarkable success of existing models, they usually neglect the fact that multiple source inputs may have inconsistencies. Such differences might bring noise to the task and limit the performance of existing multi-source NMT approaches due to their indiscriminate usage of input sources for target word predictions. In this paper, we attempt to leverage the potential complementary information among distinct sources and alleviate the occasional conflicts of them. To accomplish that, we propose a source invariance network to learn the invariant information of parallel sources. Such network can be easily integrated with multi-encoder based multi-source NMT methods (e.g. multi-encoder RNN and transformer) to enhance the translation results. Extensive experiments on two multi-source translation tasks demonstrate that the proposed approach not only achieves clear gains in translation quality but also captures implicit invariance between different sources. © 2020 COLING 2020 - 28th International Conference on Computational Linguistics, Proceedings of the Conference. All rights reserved.

关键词： Signal encoding

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Channel Exchanging Networks for Multimodal and Multitask Dense Image Prediction

arXiv

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arXiv 2021年

作者： Wang, Yikai Sun, Fuchun Huang, Wenbing He, Fengxiang Tao, Dacheng State Key Lab on Intelligent Technology and Systems Department of Computer Science and Technology Tsinghua University China Gaoling School of Artificial Intelligence Renmin University of China Beijing Key Laboratory of Big Data Management and Analysis Methods Beijing China JD Explore Academy *** Inc China

Multimodal fusion and multitask learning are two vital topics in machine learning. Despite the fruitful progress, existing methods for both problems are still brittle to the same challenge—it remains dilemmatic to integrate the common information across modalities (resp. tasks) meanwhile preserving the specific patterns of each modality (resp. task). Besides, while they are actually closely related to each other, multimodal fusion and multitask learning are rarely explored within the same methodological framework before. In this paper, we propose Channel-Exchanging-Network (CEN) which is self-adaptive, parameter-free, and more importantly, applicable for multimodal and multitask dense image prediction. At its core, CEN adaptively exchanges channels between subnetworks of different modalities. Specifically, the channel exchanging process is self-guided by individual channel importance that is measured by the magnitude of Batch-Normalization (BN) scaling factor during training. For the application of dense image prediction, the validity of CEN is tested by four different scenarios: multimodal fusion, cycle multimodal fusion, multitask learning, and multimodal multitask learning. Extensive experiments on semantic segmentation via RGB-D data and image translation through multi-domain input verify the effectiveness of CEN compared to state-of-the-art methods. Detailed ablation studies have also been carried out, which demonstrate the advantage of each component we propose. Our code is available at https://***/yikaiw/CEN. Copyright © 2021, The Authors. All rights reserved.

关键词： Semantic Segmentation

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Simulation Research on Nonlinear Modeling and Control of Switched Reluctance Motor

Simulation Research on Nonlinear Modeling and Control of Swi...

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第32届中国控制与决策会议

作者： Luan Ru Zou Hongjian Guo Jinru The School of Electrical and Information Engineering Beijing University of Civil Engineering and Architecture Beijing Key Laboratory of Intelligent Processing for Building Big Data

The model of a switched reluctance motor(SRM) directly influences it's performance and control ***,the doubly salient structure,switching power supply and seriously saturated magnetic circuit,make it difficult to accurately *** to solve this problem,this paper presents a new simulation method based on BP neural network to establish the current and torque models of a *** a great deal of current,flux linkage,torque numerical solution data obtained by a finite element software as the sample data,a kind of BP neural network is trained offline,and all the expected data sets,which form a table,are *** looking-up the table the nonlinear models of flux linkage and torque of the SRM are *** the basis of the nonlinear models,the current closed-loop control is formed by using the torque sharing function and the fuzzy switching angles to reduce the torque *** simulation results show that the proposed nonlinear models not only have a fast calculation speed,but also are high precision and can meet the requirements of real-time *** proposed control method can effectively reduce the torque ripple of the SRM.

关键词： Switched reluctance motor nonlinear modeling neural network fuzzy control torque sharing function

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Enhanced Particle Swarm Optimization for Workflow Scheduling in Clouds

Enhanced Particle Swarm Optimization for Workflow Scheduling...

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Symposium of Image, Signal processing, and Artificial Vision (STSIVA)

作者： Chang Lu Dayu Feng Jie Zhu Haiping Huang Nanjing University of Posts & Telecommunications Nanjing China Jiangsu Key Laboratory of Big Data Security & Intelligent Processing Nanjing China State Key Laboratory of Computer Architecture Institute of Computing Technology Chinese Academy of Sciences Beijing China Jiangsu High Technology Research Key Laboratory for Wireless Sensor Networks Nanjing China

ISBN: (纸本)9781665426565

As a NP-hard problem, it is always baffling to figure out a scheduling strategy to arrange the interconnected tasks of a workflow on the infinite number of resources in the cloud environment so that the workflow can be addressed efficiently and robustly. This paper focuses on scheduling the workflow’s tasks on the cloud resources with less rental cost of resources while the whole schedule length (makespan) will not exceed the given deadline. As one of the most popular evolutionary algorithms, particle swarm optimization (PSO) has been successfully applied for the workflow scheduling problem. Inspired by the idea of multiple groups and the distributed parallel computing, we develop an enhanced PSO algorithm for the workflow scheduling problem in clouds. Besides, a pretreatment strategy is adopted to simplify the workflow’s structure. The experimental results demonstrate that our proposal has good performance on improving the algorithm’s searching ability and finding better solutions.

关键词： Schedules Costs Processor scheduling NP-hard problem Parallel processing Scheduling Proposals

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Rockburst prediction using artificial intelligence techniques:A review

岩石力学通报（英文）

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岩石力学通报（英文） 2024年第3期3卷 1-13页

作者： Yu Zhang Kongyi Fang Manchao He Dongqiao Liu Junchao Wang Zhengjia Guo School of Electrical and Information Engineering Beijing University of Civil Engineering and ArchitectureBeijing100044China Beijing Key Laboratory of Intelligent Processing for Building Big Data Beijing University of Civil Engineering and ArchitectureBeijing100044China State Key Laboratory for Geomechanics and Deep Underground Engineering China University of Mining and TechnologyBeijing100083China School of Electrical and Information Engineering Beijing University of Civil Engineering and ArchitectureBeijing100044China Beijing Key Laboratory of Intelligent Processing for Building Big Data Beijing University of Civil Engineering and ArchitectureBeijing100044China State Key Laboratory for Geomechanics and Deep Underground Engineering China University of Mining and TechnologyBeijing100083China Thomas Lord Department of Computer Science University of Southern CaliforniaLos Angeles90007CAUSA

Rockburst is a phenomenon where sudden,catastrophic failure of the rock mass occurs in underground deep regions or areas with high tectonic stress during the excavation *** disasters endanger the safety of people's lives and property,national energy security,and social interests,so it is very important to accurately predict *** rockburst prediction has not been able to find an effective prediction method,and the study of the rockburst mechanism is facing a *** the development of artificial intelligence(AI)techniques in recent years,more and more experts and scholars have begun to introduce AI techniques into the study of the rockburst *** previous research,several scholars have attempted to summarize the application of AI techniques in rockburst ***,these studies either are not specifically focused on reviews of the application of AI techniques in rockburst prediction,or they do not provide a comprehensive *** on the advantages of extensive interdisciplinary research and a deep understanding of AI techniques,this paper conducts a comprehensive review of rockburst prediction methods leveraging AI ***,pertinent definitions of rockburst and its associated hazards are ***,the applications of both traditional prediction methods and those rooted in AI techniques for rockburst prediction are summarized,with emphasis placed on the respective advantages and disadvantages of each ***,the strengths and weaknesses of prediction methods leveraging AI are summarized,alongside forecasting future research trends to address existing challenges,while simultaneously proposing directions for improvement to advance the field and meet emerging demands effectively.

关键词： Rockburst Rockburst prediction Artificial intelligence techniques

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FABind: fast and accurate protein-ligand binding 23

FABind: fast and accurate protein-ligand binding

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Proceedings of the 37th International Conference on Neural Information processing Systems

作者： Qizhi Pei Kaiyuan Gao Lijun Wu Jinhua Zhu Yingce Xia Shufang Xie Tao Qin Kun He Tie-Yan Liu Rui Yan Gaoling School of Artificial Intelligence Renmin University of China and Engineering Research Center of Next-Generation Intelligent Search and Recommendation Ministry of Education School of Computer Science and Technology Huazhong University of Science and Technology Microsoft Research AI4Science School of Information Science and Technology University of Science and Technology of China Gaoling School of Artificial Intelligence Renmin University of China Gaoling School of Artificial Intelligence Renmin University of China and Beijing Key Laboratory of Big Data Management and Analysis Methods

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