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Data quantity governance for machine learning in materials science

National science Review 2023年第7期10卷 234-250页

作者： Yue Liu Zhengwei Yang Xinxin Zou Shuchang Ma Dahui Liu Maxim Avdeev Siqi Shi School of Computer Engineering and Science Shanghai University Shanghai Engineering Research Center of Intelligent Computing System Australian Nuclear Science and Technology Organisation School of Chemistry The University of Sydney State Key Laboratory of Advanced Special Steel School of Materials Science and Engineering Shanghai University Materials Genome Institute Shanghai University

Data-driven machine learning(ML) is widely employed in the analysis of materials structure-activity relationships,performance optimization and materials design due to its superior ability to reveal latent data patterns and make accurate ***,because of the laborious process of materials data acquisition,ML models encounter the issue of the mismatch between a high dimension of feature space and a small sample size(for traditional ML models) or the mismatch between model parameters and sample size(for deep-learning models),usually resulting in terrible ***,we review the efforts for tackling this issue via feature reduction,sample augmentation and specific ML approaches,and show that the balance between the number of samples and features or model parameters should attract great attention during data quantity *** this,we propose a synergistic data quantity governance flow with the incorporation of materials domain *** summarizing the approaches to incorporating materials domain knowledge into the process of ML,we provide examples of incorporating domain knowledge into governance schemes to demonstrate the advantages of the approach and *** work paves the way for obtaining the required high-quality data to accelerate materials design and discovery based on ML.

关键词： machine learning data governance data quantity materials science

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Image Enhancement via Associated Perturbation Removal and Texture Reconstruction Learning

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IEEE/CAA Journal of Automatica Sinica 2024年第11期11卷 2253-2269页

作者： Kui Jiang Ruoxi Wang Yi Xiao Junjun Jiang Xin Xu Tao Lu IEEE the School of Computer Science and Technology Harbin Institute of Technology Zhengzhou Research Institute Harbin Institute of Technology the School of Artificial Intelligence Jianghan University the School of Geodesy and Geomatics Wuhan University the Hubei Province Key Laboratory of Intelligent Information Processing and Real-Time Industrial System Wuhan University of Science and Technology the School of Computer Science and Engineering and also with the Hubei Province Key Laboratory of Intelligent Robot Wuhan Institute of Technology

Degradation under challenging conditions such as rain, haze, and low light not only diminishes content visibility, but also results in additional degradation side effects, including detail occlusion and color distortion. However, current technologies have barely explored the correlation between perturbation removal and background restoration, consequently struggling to generate high-naturalness content in challenging scenarios. In this paper, we rethink the image enhancement task from the perspective of joint optimization: Perturbation removal and texture reconstruction. To this end, we advise an efficient yet effective image enhancement model, termed the perturbation-guided texture reconstruction network(PerTeRNet). It contains two subnetworks designed for the perturbation elimination and texture reconstruction tasks, respectively. To facilitate texture recovery,we develop a novel perturbation-guided texture enhancement module(PerTEM) to connect these two tasks, where informative background features are extracted from the input with the guidance of predicted perturbation priors. To alleviate the learning burden and computational cost, we suggest performing perturbation removal in a sub-space and exploiting super-resolution to infer high-frequency background details. Our PerTeRNet has demonstrated significant superiority over typical methods in both quantitative and qualitative measures, as evidenced by extensive experimental results on popular image enhancement and joint detection tasks. The source code is available at https://***/kuijiang94/PerTeRNet.

关键词： Association learning attention mechanism image enhancement perturbation modeling

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Two Stages Segmentation Algorithm of Breast Tumor in DCE-MRI Based on Multi-Scale Feature and Boundary Attention Mechanism

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computers, Materials & Continua 2024年第7期80卷 1543-1561页

作者： Bing Li Liangyu Wang Xia Liu Hongbin Fan Bo Wang Shoudi Tong School of Automation Harbin University of Science and TechnologyHarbin150080China Heilongjiang Provincial Key Laboratory of Complex Intelligent System and Integration Harbin150080China School of Computer Engineering Technology Guangdong Institute of Science and TechnologyZhuhai519090China

Nuclearmagnetic resonance imaging of breasts often presents complex *** tumors exhibit varying sizes,uneven intensity,and indistinct *** characteristics can lead to challenges such as low accuracy and incorrect segmentation during tumor ***,we propose a two-stage breast tumor segmentation method leveraging multi-scale features and boundary attention ***,the breast region of interest is extracted to isolate the breast area from surrounding tissues and ***,we devise a fusion network incorporatingmulti-scale features and boundary attentionmechanisms for breast tumor *** incorporate multi-scale parallel dilated convolution modules into the network,enhancing its capability to segment tumors of various sizes through multi-scale convolution and novel fusion ***,attention and boundary detection modules are included to augment the network’s capacity to locate tumors by capturing nonlocal dependencies in both spatial and channel ***,a hybrid loss function with boundary weight is employed to address sample class imbalance issues and enhance the network’s boundary maintenance capability through additional *** was evaluated using breast data from 207 patients at RuijinHospital,resulting in a 6.64%increase in Dice similarity coefficient compared to the *** results demonstrate the superiority of the method over other segmentation techniques,with fewer model parameters.

关键词： Dynamic contrast-enhanced magnetic resonance imaging(DCE-MRI) breast tumor segmentation multi-scale dilated convolution boundary attention the hybrid loss function with boundary weight

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Compression Format and Systolic Array Structure Co-design for Accelerating Sparse Matrix Multiplication in DNNs 24th

Compression Format and Systolic Array Structure Co-design f...

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24th International Conference on Algorithms and Architectures for Parallel Processing, ICA3PP 2024

作者： Cao, Yongxiang Jiang, Jixiang Zhao, Guocheng Wang, Wei Jiang, Hongxu Song, Yanfei School of Computer Science and Engineering Beihang University Beijing China Science and Technology on Complex System Control and Intelligent Agent Cooperation Laboratory Beijing China

ISBN: (纸本)9789819615445

The systolic array (SA) architecture is widely used in accelerator/AI chip design due to its excellent matrix multiplication acceleration effect. However, the mismatch between the traditional sparse matrix compression format and the SA architecture results in poor SA performance in computing sparse matrices. To solve the problem, we propose a method for co-designing the sparse compression format and SA architecture. This work proposes the Vector Group Compressed Coordinate (VGCC) data stream compression format and designs a sparse SA architecture based on hardware encoding and decoding. VGCC can handle data streams of any size without increasing the index bit width. The VGCC compression size is significantly smaller than general sparse compression formats such as COO/CSR. In a sparse matrix with a sparsity of 90%, it saves 67.13% of storage space compared to the state-of-the-art ECOO data stream compression format and achieves an average acceleration of 1.54 times. We also propose a VGCC-friendly SA architecture. Our SA architecture engine reduces logic consumption by 51.6% compared to Sparse TPU while achieving a 3.23x speedup. To mitigate the issue of high no-load rates in systolic arrays, we introduce a Data Transmission Priority (DTP) data matching algorithm. With sparsity levels ranging from 50% to 90%, the algorithm’s calculation speed is enhanced by 1.124x to 1.991x. We implemented a sparse DNN accelerator on an FPGA Zynq UltraScale+MPSoC ZCU102, utilizing the VGCC compression format proposed in this study for compressing input data. When compared to the S2 Engine, the accelerator achieved a 3.37x speed improvement in matrix multiplication with 75% sparsity, significantly enhancing the speed of sparse matrix multiplication. The accelerator achieved an average throughput of 1079.33GOP/s when inferencing DNNs. © The Author(s), under exclusive license to Springer Nature Singapore Pte Ltd. 2025.

关键词： Systolic arrays

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Spectral period doubling and encoding of dissipative optical solitons via gain control

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PhotoniX 2024年第1期5卷 290-305页

作者： Kangwen Yang Yi Zhou Yuqing Ling Kevin K.Tsia Heping Zeng Kenneth K.Y.Wong Shanghai Key Laboratory of Modern Optical System and Engineering Research Center of Optical Instrument and SystemMinistry of EducationSchool of Optical Electrical and Computer EngineeringUniversity of Shanghai for Science and TechnologyShanghai 200093China Department of Electrical and Electronic Engineering The University of Hong KongHong KongChina Advanced Biomedical Instrumentation Centre Hong Kong Science ParkHong KongChina State Key Laboratory of Precision Spectroscopy East China Normal UniversityShanghai 200062China

Period-doubling bifurcation,as an intermediate state between order and chaos,is ubiquitous in all disciplines of nonlinear ***,previous experimental observations of period doubling in ultrafast fiber lasers are mainly restricted to self-sustained steady state,controllable manipulation and dynamic switching between period doubling and other intriguing dynamical states are still largely ***,we propose to expand the vision of dissipative soliton periodic doubling,which we illustrate experimentally by reporting original spontaneous,collisional,and controllable spectral period doubling in a polarization-maintaining ultrafast fiber ***,the spontaneous period doubling can be observed in both single-and *** mechanism of the switchable state and periodic doubling was revealed by numerical ***,state transformation of individual solitons can be resolved during the collision of triple solitons involving stationary,oscillating,and period ***,controllable deterministic switching between period doubling and other dynamical states,as well as exemplifying the application of period-doubling-based digital encoding,is achieved under programmable pump *** results open a new window for unveiling complex Hopf bifurcation in dissipative systems and bring useful insights into nonlinear science and applications.

关键词： Period doubling Mode locking Ultrafast fiber lasers

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Behaviour-diverse automatic penetration testing:a coverage-based deep reinforcement learning approach

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Frontiers of computer science 2025年第3期19卷 15-24页

作者： Yizhou YANG Longde CHEN Sha LIU Lanning WANG Haohuan FU Xin LIU Zuoning CHEN Zhongguancun Laboratory Beijing 100081China Zhejiang Lab Hangzhou 311121China National Research Centre of Parallel Computer Engineering and Technology Wuxi 214000China Faculty of Geographical Science Beijing Normal UniversityBeijing 100875China Department of Earth System Science Tsinghua UniversityBeijing 100084China

Reinforcement Learning(RL)is gaining importance in automating penetration testing as it reduces human effort and increases ***,given the rapidly expanding scale of modern network infrastructure,the limited testing scale and monotonous strategies of existing RLbased automated penetration testing methods make them less effective in practical *** this paper,we present CLAP(Coverage-Based Reinforcement Learning to Automate Penetration Testing),an RL penetration testing agent that provides comprehensive network security assessments with diverse adversary testing behaviours on a massive *** employs a novel neural network,namely the coverage mechanism,to address the enormous and growing action spaces in large *** also utilizes a Chebyshev decomposition critic to identify various adversary strategies and strike a balance between *** results across various scenarios demonstrate that CLAP outperforms state-of-the-art methods,by further reducing attack operations by nearly 35%.CLAP also provides enhanced training efficiency and stability and can effectively perform pen-testing over large-scale networks with up to 500 ***,the proposed agent is also able to discover pareto-dominant strategies that are both diverse and effective in achieving multiple objectives.

关键词： network security penetration testing reinforcement learning artificial intelligence

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A Hybrid Method to Measure Distribution Consistency of Mixed-Attribute Datasets

IEEE Transactions on Artificial Intelligence

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IEEE Transactions on Artificial Intelligence 2023年第1期4卷 182-196页

作者： He, Yulin Ye, Xuan Huang, Defa Fournier-Viger, Philippe Huang, Joshua Zhexue College of Computer Science and Software Engineering Shenzhen University Shenzhen518060 China National Engineering Laboratory for Big Data System Computing Technology Shenzhen University Shenzhen518060 China

Random sample partition (RSP) is a newly developed data management and processing model for Big Data processing and analysis. To apply the RSP model for Big Data computation tasks, it is very important to measure the distribution consistency of different datasets. Existing measurement methods for continuous-attribute and discrete-attribute datasets cannot directly deal with mixed-attribute datasets. In this article, we design a hybrid method to measure the distribution consistency among different mixed-attribute datasets by using a multilayer extreme learning machine (MLELM) and the generalized maximum mean discrepancy (GMMD) criterion, abbreviated as MLELM-GMMD. MLELM is first used to transform original mixed-attribute datasets into corresponding deep encoding datasets. Then, the GMMD criterion is applied to check the distribution consistency of the deep encoding datasets. Four experiments have been done to validate the feasibility and effectiveness of MLELM-GMMD, i.e., the impact of MLELM on the amount of information during mixed-attribute data transformation, the impact of MLELM on distributions of mixed-attribute data, the distribution consistencies of RSP and non-RSP data blocks, and the comparison with other measurement methods. Experimental results show that the proposed MLELM-GMMD method can measure the distribution consistency of mixed-attribute datasets more accurately than one-hot encoding-based methods. © 2022 IEEE.

关键词： Data mining

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Multi‐granularity re‐ranking for visible‐infrared person re‐identification

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CAAI Transactions on Intelligence Technology 2023年第3期8卷 770-779页

作者： Yadi Wang Hongyun Zhang Duoqian Miao Witold Pedrycz Department of Computer Science and Technology Tongji UniversityShanghaiChina Key Laboratory of Embedded System and Service Computing Ministry of EducationShanghaiChina Department of Electrical and Computer Engineering University of AlbertaEdmontonAlbertaCanada System Research Institute Polish Academy of SciencesWarsawPoland

Visible‐infrared person re‐identification(VI‐ReID)is a supplementary task of single‐modality re‐identification,which makes up for the defect of conventional re‐identification under insufficient *** is more challenging than single‐modality ReID because,in addition to difficulties in pedestrian posture,camera shoot-ing angle and background change,there are also difficulties in the cross‐modality *** works only involve coarse‐grained global features in the re‐ranking calculation,which cannot effectively use fine‐grained ***,fine‐grained features are particularly important due to the lack of information in cross‐modality re‐*** this end,the Q‐center Multi‐granularity K‐reciprocal Re‐ranking Algorithm(termed QCMR)is proposed,including a Q‐nearest neighbour centre encoder(termed QNC)and a Multi‐granularity K‐reciprocal Encoder(termed MGK)for a more comprehensive feature *** converts the probe‐corresponding modality features into gallery corresponding modality features through modality transfer to narrow the modality *** takes a coarse‐grained mutual nearest neighbour as the dominant and combines a fine‐grained nearest neighbour as a supplement for similarity *** experiments on two widely used VI‐ReID benchmarks,SYSU‐MM01 and RegDB have shown that our method achieves state‐of‐the‐art ***,the mAP of SYSU‐MM01 is increased by 5.9%in all‐search mode.

关键词： computer vision recognition

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Multi-level Multi-task representation learning with adaptive fusion for multimodal sentiment analysis

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Neural Computing and Applications 2025年第3期37卷 1491-1508页

作者： Zhu, Chuanbo Chen, Min Li, Haomin Zhang, Sheng Liang, Han Sun, Chao Liu, Yifan Chen, Jincai Wuhan National Laboratory for Optoelectronics Huazhong University of Science and Technology Hubei Wuhan430074 China School of Computer Science and Engineering South China University of Technology Guangdong Guangzhou510641 China Pazhou Laboratory Guangdong Guangzhou510640 China School of Computer Science and Technology Huazhong University of Science and Technology Hubei Wuhan430074 China Key Laboratory of Information Storage System Ministry of Education of China Hubei Wuhan430074 China

Multimodal sentiment analysis is an active task in multimodal intelligence, which aims to compute the user’s sentiment tendency from multimedia data. Generally, each modality is a specific and necessary perspective to express human sentiment, providing complementary and consensus information unavailable in a single modality. Nevertheless, the heterogeneous multimedia data often contain inconsistent and conflicting sentiment semantics that limits the model performance. In this work, we propose a Multi-level Multi-task Representation Learning with Adaptive Fusion (MuReLAF) network to bridge the semantic gap among different modalities. Specifically, we design a modality adaptive fusion block to adjust modality contributions dynamically. Besides, we build a multi-level multimodal representations framework to obtain modality-specific and modality-shared semantics by the multi-task learning strategy, where modality-specific semantics contain complementary information and modality-shared semantics include consensus information. Extensive experiments are conducted on four publicly available datasets: MOSI, MOSEI, SIMS, and SIMSV2(s), demonstrating that our model exhibits superior or comparable performance to state-of-the-art models. The achieved accuracies are 86.28%, 86.07%, 84.46%, and 82.78%, respectively, showcasing improvements of 0.82%, 0.84%, 1.75%, and 1.83%. Further analyses also indicate the effectiveness of our model in sentiment analysis. © The Author(s), under exclusive licence to Springer-Verlag London Ltd., part of Springer Nature 2024.

关键词： Multi-task learning

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Massively parallel algorithms for fully dynamic all-pairs shortest paths

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Frontiers of computer science 2024年第4期18卷 201-203页

作者： Chilei WANG Qiang-Sheng HUA Hai JIN Chaodong ZHENG National Engineering Research Center for Big Data Technology and System Services Computing Technology and System LabCluster and Grid Computing LabSchool of Computer Science and TechnologyHuazhong University of Science and TechnologyWuhan 430074China State Key Laboratory for Novel Software Technology Nanjing UniversityNanjing 210023China

1 Introduction In recent years,the Massively Parallel Computation(MPC)model has gained significant ***,most of distributed and parallel graph algorithms in the MPC model are designed for static graphs[1].In fact,the graphs in the real world are constantly *** size of the real-time changes in these graphs is smaller and more *** graph algorithms[2,3]can deal with graph changes more efficiently[4]than the corresponding static graph ***,most studies on dynamic graph algorithms are limited to the single machine ***,a few parallel dynamic graph algorithms(such as the graph connectivity)in the MPC model[5]have been proposed and shown superiority over their parallel static counterparts.

关键词： dynamic shortest gained

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