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Machine-learning-assisted intelligent synthesis of UiO-66(Ce):Balancing the trade-off between structural defects and thermal stability for e hydrogenation of Dicyclopentadiene

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Materials Genome Engineering Advances 2024年第3期2卷 96-106页

作者： Jing Lin Tao Ban Tian Li Ye Sun Shenglan Zhou Rushuo Li Yanjing Su Jitti Kasemchainan Hongyi Gao Lei Shi Ge Wang Beijing Key Laboratory of Function Materials for Molecule&Structure Construction Beijing Advanced Innovation Center for Materials Genome EngineeringSchool of Materials Science and EngineeringUniversity of Science and Technology BeijingBeijingChina Beijing Advanced Innovation Center for Big Data and Brain Computing School of Computer Science and EngineeringBeihang UniversityBeijingChina Beijing Advanced Innovation Center for Materials Genome Engineering Institute for Advanced Materials and TechnologySchool of Materials Science and EngineeringUniversity of Science and Technology BeijingBeijingChina Department of Chemical Technology Chulalongkorn UniversityBangkokThailand

Metal-organic frameworks(MOFs),renowned for structural diversity and design flexibility,exhibit potential in ***,the pursuit of higher catalytic activity through defects often compromises stability,requiring a delicate *** trial-and-error method for optimizing synthesis parameters within the complex chemical space is ***,taking the typical MOF UiO-66(Ce)as an illustrative example,a closed loop workflow is built,which integrates ma-chine learning(ML)-assissted prediction,multi-objective optimization(MOO)and experimental preparation to synergistically optimize the defect content and thermal stability of UiO-66(Ce)for efficient hydrogenation of dicyclopentadiene(DCPD).An automatic data extraction program ensures data accuracy,establishing a high-quality *** is employed to explore the intricate synthesis-structure-property correlations,enabling precise delineation of pure-phase subspace and accurate predictions of *** two iterations,MOO model identifies optimal protocols for high defect content(>40%)and thermal stability(>300℃).The optimized UiO-66(Ce)exhibits superior catalytic performance in hydroge-nation of DCPD,validating the precision and reliability of our *** ML-assisted approach offers a valuable paradigm for solving the trade-off riddle in materials field.

关键词： defect content machine learning metal-organic frameworks multi-objective optimization thermal stability

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Query-centered Temporal Community Search via Time-Constrained Personalized PageRank

arXiv

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arXiv 2023年

作者： Lin, Longlong Yuan, Pingpeng Li, Rong-Hua Zhu, Chunxue Qin, Hongchao Jin, Hai Jia, Tao College of Computer and Information Science Southwest University Chongqing400715 China National Engineering Research Center for Big Data Technology and System Service Computing Technology and System Laboratory Cluster and Grid Computing Laboratory School of Computer Science and Technology Huazhong University of Science and Technology Wuhan430074 China School of Computer Science and Technololgy Beijing Institute of Technology Beijing100081 China

Existing temporal community search suffers from two defects: (i) they ignore the temporal proximity between the query vertex q and other vertices but simply require the result to include q. Thus, they find many temporal irrelevant vertices (these vertices are called query-drifted vertices) to q for satisfying their cohesiveness, resulting in q being marginalized;(ii) their methods are NP-hard, incurring high costs for exact solutions or compromised qualities for approximate/heuristic algorithms. Inspired by these, we propose a novel problem named query-centered temporal community search to circumvent query-drifted vertices. Specifically, we first present a novel concept of Time-Constrained Personalized PageRank to characterize the temporal proximity between q and other vertices. Then, we introduce a model called β-temporal proximity core, which can combine temporal proximity and structural cohesiveness. Subsequently, our problem is formulated as an optimization task that finds a β-temporal proximity core with the largest β. To solve our problem, we first devise an exact and near-linear time greedy removing algorithm that iteratively removes unpromising vertices. To improve efficiency, we then design an approximate two-stage local search algorithm with bound-based pruning techniques. Finally, extensive experiments on eight real-life datasets and nine competitors show the superiority of the proposed solutions. © 2023, CC BY.

关键词： Iterative methods

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Insect Identification in Pulsed Lidar Images Using Changepoint Detection Algorithms

Insect Identification in Pulsed Lidar Images Using Changepoi...

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2023 Annual Intermountain Engineering, technology and computing, IETC 2023

作者： Sweeney, Nathaniel Xu, Caroline Shaw, Joseph A. Hocking, Toby D. Whitaker, Bradley M. Montana State University Electrical and Computer Engineering Department United States University of Michigan Electrical Engineering and Computer Science Department United States Montana State University Optical Technology Center United States School of Informatics Computing and Cyber Systems Northern Arizona University United States

ISBN: (纸本)9798350335903

Noninvasive entomological insect monitoring often utilizes a variety of tools such as LiDAR to gather information without interfering with the insects in their habitat. These collection methods often result in large amounts of data that can be te-dious and lengthy to interpret and analyze. Machine learning has been previously used in the past in order to analyze Li-DAR images to detect insects, but often suffers from pitfalls such as long training times and large computational power requirements. In an attempt to offer an alternative that takes little to no training on the data and much less computational power, this paper looks at the use of changepoint detection algorithms to analyze LiDAR images containing insects. By analyzing the rows or columns of a LiDAR image, the algorithms should be able to detect abrupt changes in the image that would represent the insects. While not as accurate, the changepoint detection algorithms give comparable results to a machine learning algorithm tested on the same dataset without the need for supervised training. © 2023 IEEE.

关键词： Anomaly detection

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Retraction Note: High performance reconciliation for practical quantum key distribution systems

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Optical and Quantum Electronics 2024年第12期56卷 1-2页

作者： Mao, ao-Kun Li, Qiong Hao, Peng-Lei Abd-El-Atty, Bassem Iliyasu, Abdullah M. Department of Computer Science and Technology Harbin Institute of Technology Harbin China CAS Key Laboratory of Quantum Information University of Science and Technology of China Hefei China CAS Center for Excellence in Quantum Information and Quantum Physics University of Science and Technology of China Hefei China Department of Computer Science Faculty of Computers and Information Luxor University Luxor Egypt Electrical Engineering Department College of Engineering Prince Sattam Bin Abdulaziz University Al- Kharj Saudi Arabia School of Computing Tokyo Institute of Technology Yokohama Japan School of Computer Science and Technology Changchun University of Science and Technology Changchun China

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Cerebrovascular segmentation from mesoscopic optical images using Swin Transformer

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Journal of Innovative Optical Health sciences 2023年第4期16卷 120-133页

作者： Yuxin Li Qianlong Zhang Hang Zhou Junhuai Li Xiangning Li Anan Li Shaanxi Key Laboratory for Network Computing and Security Technology School of Computer Science and Engineering Xi'an University of Technology Xi'an 710048P.R.China School of Computer Science Chengdu University of Information Technology Chengdu 610225P.R.China Britton Chance Center for Biomedical Photonics Wuhan National Laboratory for Optoelectronics MoE Key Laboratory for Biomedical Photonics Huazhong University of Science and Technology Wuhan 430074 P.R.China HUST-Suzhou Institute for Brainsmatics Suzhou 215123 P.R.China

Vascular segmentation is a crucial task in biomedical image processing,which is significant for analyzing and modeling vascular networks under physiological and pathological *** advances in fluorescent labeling and mesoscopic optical techniques,it has become possible to map the whole-mouse-brain vascular networks at capillary ***,segmenting vessels from mesoscopic optical images is a challenging *** problems,such as vascular signal discontinuities,vessel lumens,and background fluorescence signals in mesoscopic optical images,belong to global semantic information during vascular *** vascular segmentation methods based on convolutional neural networks(CNNs)have been limited by their insufficient receptive fields,making it challenging to capture global semantic information of vessels and resulting in inaccurate segmentation ***,we propose SegVesseler,a vascular segmentation method based on Swin *** adopts 3D Swin Transformer blocks to extract global contextual information in 3D *** approach is able to maintain the connectivity and topology of blood vessels during *** evaluated the performance of our method on mouse cerebrovascular datasets generated from three different labeling and imaging *** experimental results demonstrate that the segmentation effect of our method is significantly better than traditional CNNs and achieves state-of-the-art performance.

关键词： Vascular segmentation Swin Transformer mesoscopic optical imaging fMOST

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Grouped Federated Meta-Learning for Privacy-Preserving Rare Disease Diagnosis

Grouped Federated Meta-Learning for Privacy-Preserving Rare ...

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International Joint Conference on Neural Networks (IJCNN)

作者： Xinru Song Feng Wu Zongchao Xie Longxiang Gao Lei Cui Youyang Qu Shujun Gu Key Laboratory of Computing Power Network and Information Security Ministry of EducationShandong Computer Science Center Qilu University of Technology (Shandong Academy of Sciences) Jinan China Shandong Provincial Key Laboratory of Computer Networks Shandong Fundamental Research Center for Computer Science Jinan China School of Computer Science University of Technology Sydney Australia Faculty of Science University of Melbourne Australia

ISBN: (数字)9798350359312

ISBN: (纸本)9798350359329

Federated learning (FL) has been widely applied in medical field, which allows clients to collaboratively train global models without sharing local data. Nevertheless, the diversity and scarcity of samples from rare diseases may result in a decline in the performance of local models on client-side due to using a singular global model. Moreover, direct transmission of local models or parameters will likely lead to user privacy violations. To solve these problems, we propose a Grouped Federated Meta-Learning (GrFML) method to improve the performance of local personalization models while protecting data privacy. Specifically, we first utilize a self-attention mechanism to extract partial features from the client’s local data, which are uploaded to the server (medical data is susceptible to perturbation and data integrity, thus this process does not expose the private data). The server groups clients with similar features based on these extracted features. Then, multiple meta-models are trained on these groups and distributed back to the clients to enhance the performance of the client’s local models. Furthermore, during the FL process, we introduce dynamic perturbation to the uploaded gradients based on the model’s test accuracy to protect their privacy. Typically, the perturbation magnitude is directly proportional to the model’s test accuracy. Extensive experiments shown that the GrFML model significantly improves client personalization model accuracy and achieves a good privacy-utility trade-off.

关键词： Metalearning Privacy Data privacy Accuracy Perturbation methods Feature extraction Data models

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Unlocking the capabilities of thought: a reasoning boundary framework to quantify and optimize chain-of-thought 24

Unlocking the capabilities of thought: a reasoning boundary ...

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Proceedings of the 38th International Conference on Neural Information Processing Systems

作者： Qiguang Chen Libo Qin Jiaqi Wang Jinxuan Zhou Wanxiang Che Research Center for Social Computing and Information Retrieval and Harbin Institute of Technology School of Computer Science and Engineering Central South University The Chinese University of Hong Kong

ISBN: (纸本)9798331314385

Chain-of-Thought (CoT) reasoning has emerged as a promising approach for enhancing the performance of large language models (LLMs) on complex reasoning tasks. Recently, a series of studies attempt to explain the mechanisms underlying CoT, aiming to deepen the understanding of its efficacy. Nevertheless, the existing research faces two major challenges: (1) a lack of quantitative metrics to assess CoT capabilities and (2) a dearth of guidance on optimizing CoT performance. Motivated by this, in this work, we introduce a novel reasoning boundary framework (RBF) to address these challenges. To solve the lack of quantification, we first define a reasoning boundary (RB) to quantify the upper-bound of CoT and establish a combination law for RB, enabling a practical quantitative approach applicable to various real-world CoT tasks. To address the lack of optimization, we propose three categories of RBs. We further optimize these categories with combination laws focused on RB promotion and reasoning path optimization for CoT improvement. Through extensive experiments on 27 models and 5 tasks, the study validates the existence and rationality of the proposed framework. Furthermore, it explains the effectiveness of 10 CoT strategies and guides optimization from two perspectives. We hope this work can provide a comprehensive understanding of the boundaries and optimization strategies for reasoning in LLMs. Our code and data are available at https://***/LightChen233/reasoning-boundary.

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DNN Partitioning and Assignment for Distributed Inference in SGX Empowered Edge Cloud

DNN Partitioning and Assignment for Distributed Inference in...

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International Conference on Distributed computing Systems

作者： Yuepeng Li Deze Zeng Lin Gut Song Guo Albert Y. Zomaya School of Computer Science China University of Geosciences Wuhan China Engineering Research Center of Natural Resource Information Management and Digital Twin Engineering Software Ministry of Education Wuhan China School of Computer Science and Technology Huazhong University of Science and Technology China Department of Computing The Hong Kong Polytechnic University Hong Kong School of Computer Science The University of Sydney Australia

ISBN: (数字)9798350386059

ISBN: (纸本)9798350386066

Distributed Deep Neural Network (DNN) inference is a promising technology to explore the distributed resources in edge cloud to realize edge intelligence. Meanwhile the inherent resource sharing nature of edge cloud infrastructure also raises serious concerns on security and privacy. Software Guard Ex-tensions (SGX) emerges as a potential hardware-level solution but its limited secure memory (i.e., enclave page cache) imposes new challenges, especially in contrast to memory-hungry DNN models. A task's performance will be severely affected when its memory footprint is beyond the enclave page cache size, due to expensive secure page swapping. In this case, how to appropriately partition a DNN model and assign the partitions to distributed edge servers to efficiently utilize edge resources for fast secure inference becomes a challenging problem. In this paper, we first show that this problem is NP-hard. We further propose a MEmory -aware Distributed Inference Acceleration (MEDIA) algorithm, whose guaranteed approximation ratio is also formally analyzed. We have implemented a prototype system and applied some well-known representative DNN models to evaluate MEDIA's performance. Through extensive experiments, we verify the efficiency of MEDIA by the fact that it reduces the inference time by 19.5%-38.1 % in comparison with state-of-the-art approaches.

关键词： Computational modeling Prototypes Artificial neural networks Media Approximation algorithms Inference algorithms Software

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FedMoS: Taming Client Drift in Federated Learning with Double Momentum and Adaptive Selection

FedMoS: Taming Client Drift in Federated Learning with Doubl...

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IEEE Annual Joint Conference: INFOCOM, IEEE computer and Communications Societies

作者： Xiong Wang Yuxin Chen Yuqing Li Xiaofei Liao Hai Jin Bo Li National Engineering Research Center for Big Data Technology and System Services Computing Technology and System Lab Cluster and Grid Computing Lab School of Computer Science and Technology Huazhong University of Science and Technology Wuhan China School of Cyber Science and Engineering Wuhan University Wuhan China Department of Computer Science and Engineering Hong Kong University of Science and Technology Hong Kong

Federated learning (FL) enables massive clients to collaboratively train a global model by aggregating their local updates without disclosing raw data. Communication has become one of the main bottlenecks that prolongs the training process, especially under large model variances due to skewed data distributions. Existing efforts mainly focus on either single momentum-based gradient descent, or random client selection for potential variance reduction, yet both often lead to poor model accuracy and system efficiency. In this paper, we propose FedMoS, a communication-efficient FL framework with coupled double momentum-based update and adaptive client selection, to jointly mitigate the intrinsic variance. Specifically, FedMoS maintains customized momentum buffers on both server and client sides, which track global and local update directions to alleviate the model discrepancy. Taking momentum results as input, we design an adaptive selection scheme to provide a proper client representation during FL aggregation. By optimally calibrating clients’ selection probabilities, we can effectively reduce the sampling variance, while ensuring unbiased aggregation. Through a rigid analysis, we show that FedMoS can attain the theoretically optimal ${{\mathcal{O}}}\left({{T^{ - 2/3}}}\right)$ convergence rate. Extensive experiments using real-world datasets further validate the superiority of FedMoS, with 58%-87% communication reduction for achieving the same target performance compared to state-of-the-art techniques.

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A deep learning system for predicting time to progression of diabetic retinopathy

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NATURE MEDICINE 2024年第2期30卷 358-359页

作者： [Anonymous] Shanghai Belt and Road International Joint Laboratory for Intelligent Prevention and Treatment of Metabolic Disorders Department of Computer Science and Engineering School of Electronic Information and Electrical Engineering Shanghai Jiao Tong University Department of Endocrinology and Metabolism Shanghai Sixth People’s Hospital Affiliated to Shanghai Jiao Tong University School of Medicine Shanghai Diabetes Institute Shanghai Clinical Center for Diabetes Shanghai China MOE Key Laboratory of AI School of Electronic Information and Electrical Engineering Shanghai Jiao Tong University Shanghai China Department of Ophthalmology Huadong Sanatorium Wuxi China Department of Ophthalmology Shanghai Sixth People’s Hospital Affiliated to Shanghai Jiao Tong University School of Medicine Shanghai China Department of Ophthalmology and Visual Sciences The Chinese University of Hong Kong Hong Kong China Singapore Eye Research Institute Singapore National Eye Centre Singapore Singapore Department of Computer Science and Engineering The Hong Kong University of Science and Technology Hong Kong China Department of Chemical and Biological Engineering The Hong Kong University of Science and Technology Hong Kong China State Key Laboratory of Ophthalmology Zhongshan Ophthalmic Center Sun Yat-sen University Guangdong Provincial Key Laboratory of Ophthalmology and Visual Science Guangzhou China Department of Ophthalmology Peking Union Medical College Hospital Peking Union Medical College Chinese Academy of Medical Sciences Beijing China Medical Records and Statistics Office Shanghai Sixth People’s Hospital Affiliated to Shanghai Jiao Tong University School of Medicine Shanghai China Department of Geriatrics Tongji Hospital Tongji Medical College Huazhong University of Science and Technology Wuhan China National Engineering Research Center for Big Data Technology and System Services Computing Technology and System Lab Cluster and Grid Computing Lab School of Computer Science and Tech

We developed and validated a deep learning system (termed DeepDR Plus) in a diverse, multiethnic, multi-country dataset to predict personalized risk and time to progression of diabetic retinopathy. We show that DeepDR Plus can be integrated into the clinical workflow to promote individualized intervention strategies for the management of diabetic retinopathy.

关键词： Diabetes complications Machine learning Predictive markers

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