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arXiv 2025年

作者： Jacobs, Ryan Morgan, Dane Attarian, Siamak Meng, Jun Shen, Chen Wu, Zhenghao Xie, Clare Yijia Yang, Julia H. Artrith, Nongnuch Blaiszik, Ben Ceder, Gerbrand Choudhary, Kamal Csanyi, Gabor Cubuk, Ekin Dogus Deng, Bowen Drautz, Ralf Fu, Xiang Godwin, Jonathan Honavar, Vasant Isayev, Olexandr Johansson, Anders Kozinsky, Boris Martiniani, Stefano Ong, Shyue Ping Poltavsky, Igor Schmidt, K.J. Takamoto, So Thompson, Aidan Westermayr, Julia Wood, Brandon M. Department of Materials Science and Engineering University of Wisconsin-Madison MadisonWI55705 United States Harvard University Center for the Environment Harvard University CambridgeMA02138 United States John A. Paulson School of Engineering and Applied Sciences Harvard University CambridgeMA02138 United States Materials Chemistry and Catalysis Debye Institute for Nanomaterials Science Utrecht University Utrecht3584 CG Netherlands Globus University of Chicago ChicagoIL United States Data Science and Learning Division Argonne National Laboratory LemontIL United States Department of Materials Science and Engineering University of California BerkeleyCA94720 United States Materials Sciences Division Lawrence Berkeley National Laboratory CA94720 United States Material Measurement Laboratory National Institute of Standards and Technology GaithersburgMD20899 United States Department of Engineering University of Cambridge CambridgeCB2 1PZ United Kingdom Google DeepMind Mountain ViewCA United States Ruhr-Universität Bochum Bochum44780 Germany Meta United States Orbital Materials London United Kingdom Department of Computer Science and Engineering The Pennsylvania State University University ParkPA United States College of Information Sciences and Technology The Pennsylvania State University University ParkPA United States Artificial Intelligence Research Laboratory The Pennsylvania State University University ParkPA United States Center for Artificial Intelligence Foundations and Scientific Applications The Pennsylvania State University University ParkPA United States Department of Chemistry Mellon College of Science Carnegie Mellon University PittsburghPA15213 United States Computational Biology Department School of Computer Science Carnegie Mellon University PittsburghPA15213 United States Courant Institute of Mathematical Sciences New York University New YorkNY10003 United States Center for Soft Matter Research Department of P

The rapid development and large body of literature on machine learning interatomic potentials (MLIPs) can make it difficult to know how to proceed for researchers who are not experts but wish to use these tools. The spirit of this review is to help such researchers by serving as a practical, accessible guide to the state-of-the-art in MLIPs. This review paper covers a broad range of topics related to MLIPs, including (i) central aspects of how and why MLIPs are enablers of many exciting advancements in molecular modeling, (ii) the main underpinnings of different types of MLIPs, including their basic structure and formalism, (iii) the potentially transformative impact of universal MLIPs for both organic and inorganic systems, including an overview of the most recent advances, capabilities, downsides, and potential applications of this nascent class of MLIPs, (iv) a practical guide for estimating and understanding the execution speed of MLIPs, including guidance for users based on hardware availability, type of MLIP used, and prospective simulation size and time, (v) a manual for what MLIP a user should choose for a given application by considering hardware resources, speed requirements, energy and force accuracy requirements, as well as guidance for choosing pre-trained potentials or fitting a new potential from scratch, (vi) discussion around MLIP infrastructure, including sources of training data, pre-trained potentials, and hardware resources for training, (vii) summary of some key limitations of present MLIPs and current approaches to mitigate such limitations, including methods of including long-range interactions, handling magnetic systems, and treatment of excited states, and finally (viii) we finish with some more speculative thoughts on what the future holds for the development and application of MLIPs over the next 3-10+ years. © 2025, CC BY.

关键词： Digital storage

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Deep Reinforcement Learning based Indoor Air Quality Sensing by Cooperative Mobile Robots

Deep Reinforcement Learning based Indoor Air Quality Sensing...

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IEEE Conference on Wireless Communications and Networking

作者： Zhiwen Hu Tiankuo Song Kaigui Bian Lingyang Song National Engineering Laboratory for Big Data Analysis and Applications Peking University Beijing 101 Middle School Beijing China Department of Computer Science Peking University China

ISBN: (数字)9781728131061

ISBN: (纸本)9781728131078

Confronted with the severe indoor air pollution nowadays, we propose the usage of multiple robots to detect the indoor air quality (IAQ) cooperatively for fewer sensors and larger sensing area. To acquire the complete real-time IAQ distribution map, we exploit the real statistical data to construct the IAQ data model and adopt Kalman Filter to obtain the estimation of the unmeasured area. Since the movement of the robots affects the estimation accuracy, a proper movement strategy should be planned to minimize the total estimation error. To solve this optimization problem, we design a deep Q-learning approach, which provides sub-optimal movement strategies for real-time robot sensing. By simulations, we verify the adopted IAQ data model and testify the effectiveness of the proposed solution. For application considerations, we have deployed this system in Peking University since Dec. 2018 and developed a website to visualize the IAQ distribution.

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A Stepwise Path Selection Scheme Based on Multiple QoS Parameters Evaluation in SDN 17th

A Stepwise Path Selection Scheme Based on Multiple QoS Param...

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17th EAI International Conference on Collaborative Computing: Networking, applications, and Worksharing, CollaborateCom 2021

作者： Liu, Lin Zhou, Jian-Tao Xing, Hai-Feng Guo, Xiao-Yong College of Computer Science Ecological Big Data Engineering Research Center of the Ministry of Education Cloud Computing and Service Software Engineering Laboratory of Inner Mongolia Autonomous Region National and Local Joint Engineering Research Center of Intelligent Information Processing Technology for Mongolian Social Computing and Data Processing Key Laboratory of Inner Mongolia Autonomous Region Big Data Analysis Technology Engineering Research Center of Inner Mongolia Autonomous Region Inner Mongolia University Inner Mongolia Hohhot China College of Computer Science and Technology Inner Mongolia Normal University Inner Mongolia Hohhot China College of Computer Information and Management Inner Mongolia University of Finance and Economics Inner Mongolia Hohhot China

ISBN: (纸本)9783030926342

Nowadays, the best-effort service can not guarantee the quality of service (QoS) for all kinds of services. QoS routing is an important method to guarantee QoS requirements. It involves path selection for flows based on the current network status and the performance criteria of the service requirements. However, it is difficult for proposed solutions to obtain all the available paths owing to not fully considering all the QoS parameters of paths. In this paper, we propose SWQoS, a novel, universal, and stepwise QoS guarantee scheme based on multiple QoS parameter evaluation for selecting the available paths including preferred paths, satisfied paths and reluctant paths in SDN. The experiments show that SWQoS can select all the available paths that meet the performance criteria of the service requirements and have better QoS parameter performance compared with other path selection methods. © 2021, ICST Institute for Computer sciences, Social Informatics and Telecommunications engineering.

关键词： Quality of service

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Internet Public Safety Event Grading and Hybrid Storage Based on Multi-feature Fusion for Social Media Texts 28th

Internet Public Safety Event Grading and Hybrid Storage Bas...

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28th International Conference on database Systems for Advanced applications, DASFAA 2023

作者： Hu, Die Xie, Yulai Feng, Dan Zhao, Shixun Fu, Pengyu Wuhan National Laboratory for Optoelectronics Huazhong University of Science and Technology Wuhan China School of Cyber Science and Engineering Hubei Engineering Research Center on Big Data Security Huazhong University of Science and Technology Wuhan China School of Computer Science and Technology Huazhong University of Science and Technology Wuhan China

ISBN: (纸本)9783031306365

With the rapid development of mobile Internet technology, various public events appear on social media platforms and attract a lot of attention. Since netizens can express their opinions freely on the Internet, some events that cause negative public opinion seriously threaten public security, which are called Internet Public Safety events (IPSe). Existing solutions use a single metric to realize event detection, which has a high false detection rate for Internet Public Safety events. In addition, they lack countermeasures after the outbreak of public opinion, resulting in inefficient information management. This paper proposes a novel Internet Public Safety event grading method based on multi-feature, which measures events from the three perspectives of heat, emotion, and sensitivity. In order to improve the retrieval efficiency of events information, we implement a smart dynamic hot/cold data migration mechanism using a hybrid storage system containing solid-state drives and hard-disk drives, which realizes real-time data adjustment in the storage layer and ensures efficient events management. In the experiments, we verify our method through several real internet events, and the results show that our method achieves the state-of-the-art accuracy in the detection of Internet Public Safety events and realizes efficient retrieval with a low query overhead. © 2023, The Author(s), under exclusive license to Springer Nature Switzerland AG.

关键词： Grading

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Towards Dynamic and Safe Configuration Tuning for Cloud databases

arXiv

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arXiv 2022年

作者： Zhang, Xinyi Wu, Hong Li, Yang Tan, Jian Li, Feifei Cui, Bin School of CS Key Laboratory of High Confidence Software Technologies Peking University China Database and Storage Laboratory Damo Academy Alibaba Group China Center for Data Science Peking University National Engineering Laboratory for Big Data Analysis and Applications China China

Configuration knobs of database systems are essential to achieve high throughput and low latency. Recently, automatic tuning systems using machine learning methods (ML) have shown to find better configurations compared to experienced database administrators (DBAs). However, there are still gaps to apply the existing systems in production environments, especially in the cloud. First, they conduct tuning for a given workload within a limited time window and ignore the dynamicity of workloads and data. Second, they rely on a copied instance and do not consider the availability of the database when sampling configurations, making the tuning expensive, delayed, and unsafe. To fill these gaps, we propose OnlineTune, which tunes the online databases safely in changing cloud environments. To accommodate the dynamicity, OnlineTune embeds the environmental factors as context feature and adopts contextual Bayesian Optimization with context space partition to optimize the database adaptively and scalably. To pursue safety during tuning, we leverage the black-box and the white-box knowledge to evaluate the safety of configurations and propose a safe exploration strategy via subspace adaptation. We conduct evaluations on dynamic workloads from benchmarks and real-world workloads. Compared with the state-of-the-art methods, OnlineTune achieves 14.4%∼165.3% improvement on cumulative performance while reducing 91.0%∼99.5% unsafe configuration recommendations. Copyright © 2022, The Authors. All rights reserved.

关键词： database systems

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Identification of Key Genes as Potential Drug Targets for Gastric Cancer

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Tsinghua science and Technology 2023年第4期28卷 649-664页

作者： Md.Tofazzal Hossain Md.Selim Reza Yin Peng Shengzhong Feng Yanjie Wei Center for High Performance Computing Joint Engineering Research Center for Health Big Data Intelligent Analysis TechnologyShenzhen Institute of Advanced TechnologyChinese Academy of SciencesShenzhen 518055China School of Computer Science and Technology University of Chinese Academy of SciencesBeijing 100049China Department of Statistics Bangabandhu Sheikh Mujibur Rahman Science and Technology UniversityGopalganj 8100Bangladesh Guangdong Provincial Key Laboratory for Genome Stability and Disease Prevention and Regional Immunity and Diseases Department of PathologyShenzhen UniversityShenzhen 518060China

Gastric cancer(GC)is one of the most common cancers and ranks the third in cancer mortality all over the *** goal of this study was to identify potential hub-genes,highlighting their functions,signaling pathways,and candidate drugs for the treatment of GC *** used publicly available next generation sequencing(NGS)data to identify differentially expressed(DE)*** top DE genes were mapped to STRING database to construct the protein-protein interaction(PPI)network and top hub genes were selected for further *** found a total of 1555 DE genes with 870 upregulated and 685 downregulated genes in *** selected the top 400(200 upregulated and 200 downregulated)genes to construct a PPI network and extracted the top 15 hub *** gene ontology(GO)term and kyoto encyclopedia of genes and genomes(KEGG)pathway enrichment analyses of the 15 hub genes exposed some important functions and signaling pathways that were significantly associated with GC *** survival analysis of the hub genes disclosed that the lower expressions of the three hub genes CDH2,COL4A1,and COL5A2 were associated with better survival of GC *** three genes might be the candidate biomarkers for the diagnosis and treatment of ***,we considered 3 key proteins(genomic biomarkers)(COL4A1,CDH2,and CO5A2)as the drug target proteins(receptors),performed their docking analysis with the 102 meta-drug agents,and found Everolimus,Docetaxel,Lanreotide,Venetoclax,Temsirolimus,and Nilotinib as the top ranked 6 candidate drugs with respect to our proposed target proteins for the treatment against GC ***,the proposed drugs might play vital role for the treatment against GC patients.

关键词： gastric cancer hub genes candidate genes molecular docking candidate drugs

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An end-to-end repair-based joint training framework for weakly supervised pavement crack segmentation

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Multimedia Tools and applications 2024年 1-19页

作者： Zhou, Hui Tao, Huanjie Duan, Qianyue Hu, Zhenwu Deng, Yishi School of Computer Science Northwestern Polytechnical University Xi’an710129 China School of Cyberspace Security Northwestern Polytechnical University Xi’an710129 China Engineering Research Center of Embedded System Integration Ministry of Education Xi’an710129 China National Engineering Laboratory for Integrated Aero-Space-Ground-Ocean Big Data Application Technology Xi’an710129 China

Weakly supervised pavement crack segmentation aims to assign each pixel of pavement surface images a category label (crack or non-crack) using limited annotation information. Most existing methods adopt the multi-stage approach based on the class activation map (CAM), which outputs from a pre-trained crack classification model, to generate the pixel-level pseudo labels, and then train a segmentation model using these pseudo labels. However, these methods have two notable drawbacks: (i) CAM focuses primarily on the most discriminative regions of the image, potentially resulting in an incomplete estimation of crack regions, and (ii) the process of obtaining pixel-level pseudo labels from CAM is complex and may introduce noise. To avoid these issues, we propose an end-to-end repair-based joint training framework for weakly supervised pavement crack segmentation. Specifically, to better guide the model to pay more attention to the repair process of crack regions, we introduce the segmentation loss, which assigns different weights for crack regions and background regions, through the Residual Project Network. Additionally, to alleviate the impact of the domain gap between synthetic and real datasets, we introduce the consistency loss through the joint training paradigm of unpaired data that incorporates both crack and non-crack images into the training process simultaneously. Furthermore, to enable the model to effectively extract local features and reduce the model's computational complexity, we introduce the Lightweight Multi-head Self-attention module. The experiment results on the CRACK500 dataset, the CFD dataset, and the AEL dataset demonstrate that our model achieves better performance than some existing weakly supervised pavement segmentation methods. © The Author(s), under exclusive licence to Springer science+Business Media, LLC, part of Springer Nature 2024.

关键词： Repair

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C olumnSGD: A Column-oriented Framework for Distributed Stochastic Gradient Descent

C olumnSGD: A Column-oriented Framework for Distributed Stoc...

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International Conference on data engineering

作者： Zhipeng Zhang Wentao Wu Jiawei Jiang Lele Yu Bin Cui Ce Zhang School of EECS & Key Laboratory of High Confidence Software Technologies (MOE) Peking University Microsoft Research Redmond USA ETH Zurich Switzerland Tencent Inc Center for Data Science Peking University & National Engineering Laboratory for Big Data Analysis and Applications

ISBN: (数字)9781728129037

ISBN: (纸本)9781728129044

Distributed machine learning (ML) has triggered tremendous research interest in recent years. Stochastic gradient descent (SGD) is one of the most popular algorithms for training ML models, and has been implemented in almost all distributed ML systems, such as Spark MLlib, Petuum, MXNet, and TensorFlow. However, current implementations often incur huge communication and memory overheads when it comes to large models. One important reason for this inefficiency is the row-oriented scheme (RowSGD) that existing systems use to partition the training data, which forces them to adopt a centralized model management strategy that leads to vast amount of data exchange over the network. We propose a novel, column-oriented scheme (ColumnSGD) that partitions training data by columns rather than by rows. As a result, ML model can be partitioned by columns as well, leading to a distributed configuration where individual data and model partitions can be collocated on the same machine. Following this locality property, we develop a simple yet powerful computation framework that significantly reduces communication overheads and memory footprints compared to RowSGD, for large-scale ML models such as generalized linear models (GLMs) and factorization machines (FMs). We implement ColumnSGD on top of Apache Spark, and study its performance both analytically and experimentally. Experimental results on both public and real-world datasets show that ColumnSGD is up to 930× faster than MLlib, 63× faster than Petuum, and 14× faster than MXNet.

关键词： Conferences data engineering Radio frequency

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Predicting gastric cancer response to anti-HER2 therapy or anti-HER2 combined immunotherapy based on multimodal data

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Signal Transduction and Targeted Therapy 2024年第9期9卷 4137-4148页

作者： Zifan Chen Yang Chen Yu Sun Lei Tang Li Zhang Yajie Hu Meng He Zhiwei Li Siyuan Cheng Jiajia Yuan Zhenghang Wang Yakun Wang Jie Zhao Jifang Gong Liying Zhao Baoshan Cao Guoxin Li Xiaotian Zhang Bin Dong Lin Shen Center for Data Science Peking UniversityBeijingChina Department of Gastrointestinal Oncology Key Laboratory of Carcinogenesis and Translational Research(Ministry of Education)Peking University Cancer Hospital and InstituteBeijingChina Department of Pathology Key Laboratory of Carcinogenesis and Translational Research(Ministry of Education)Peking University Cancer Hospital and InstituteBeijingChina Department of Radiology Key Laboratory of Carcinogenesis and Translational Research(Ministry of Education)Peking University Cancer Hospital and InstituteBeijingChina National Biomedical Imaging Center Peking UniversityBeijingChina Department of General Surgery Nanfang HospitalSouthern Medical UniversityGuangzhouChina Guangdong Provincial Key Laboratory of Precision Medicine for Gastrointestinal Tumor GuangzhouChina Department of Medical Oncology and Radiation Sickness Peking University Third HospitalBeijingChina National Engineering Laboratory for Big Data Analysis and Applications Peking UniversityBeijingChina Beijing International Center for Mathematical Research(BICMR) Peking UniversityBeijingChina Center for Machine Learning Research Peking UniversityBeijingChina

The sole use of single modality data often fails to capture the complex heterogeneity among patients,including the variability in resistance to anti-HER2 therapy and outcomes of combined treatment regimens,for the treatment of HER2-positive gastric cancer(GC).This modality deficit has not been fully considered in many ***,the application of artificial intelligence in predicting the treatment response,particularly in complex diseases such as GC,is still in its ***,this study aimed to use a comprehensive analytic approach to accurately predict treatment responses to anti-HER2 therapy or anti-HER2 combined immunotherapy in patients with HER2-positive *** collected multi-modal data,comprising radiology,pathology,and clinical information from a cohort of 429 patients:310 treated with anti-HER2 therapy and 119 treated with a combination of anti-HER2 and anti-PD-1/PD-L1 inhibitors *** introduced a deep learning model,called the Multi-Modal model(MuMo),that integrates these data to make precise treatment response *** achieved an area under the curve score of 0.821 for anti-HER2 therapy and 0.914 for combined ***,patients classified as low-risk by MuMo exhibited significantly prolonged progression-free survival and overall survival(log-rank test,P<0.05).These findings not only highlight the significance of multi-modal data analysis in enhancing treatment evaluation and personalized medicine for HER2-positive gastric cancer,but also the potential and clinical value of our model.

关键词： immunotherapy HER2 cancer

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Study on IoT and big data analysis of Furnace Process Exhaust Gas Leakage 15th

Study on IoT and Big Data Analysis of Furnace Process Exhaus...

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15th International Conference on Intelligent Information Hiding and Multimedia Signal Processing, IIH-MSP 2019, held in conjunction with the 12th International Conference on Frontiers of Information Technology, applications and Tools, FITAT 2019

作者： Zhou, Yu-Wen Chang, Kuo-Chi Pan, Jeng-Shyang Chu, Kai-Chun Horng, Der-Juinn Lin, Yuh-Chung Jing, Huang Fujian Provincial Key Laboratory of Big Data Mining and Applications Fujian University of Technology Fuzhou China Department of Business Administration Group of Strategic Management National Central University Taoyuan Taiwan College of Information Science and Engineering Fujian University of Technology Fuzhou China

ISBN: (纸本)9789811397134

Modern FABs use a large number of high-energy processes such as plasma, CVD, and ion implantation;the furnace is one of the important tools of semiconductor manufacturing. The FAB installed FTIR system due to the 12" furnace tools based on the aforementioned production management requirements. This study used open-type FTIR and integrated IoT mechanism to connect to the cloud, which is suitable for a variety of gaseous pollutants. This study set up two measuring points of furnace process tools in the 12" factory of Hsinchu science Park in Taiwan. This study obtained FTIR measurements, and according to the OHSA regulations, this study is set in the cloud database for big data analysis and decision-making, when the upper limits of TEOS, C2H4, and CO are 0.6 ppm, 2.0 ppm, and 1.7 ppm and the lower limits of TEOS, C2H4, and CO are 0.4 ppm, 1.5 ppm, and 1 ppm. The application architecture of this study can be extended to other semiconductor processes, so that IoT integration and big data operations can be performed for all processes;this is an important step in promoting FAB intelligent production and an important contribution of this study. © 2020, Springer Nature Singapore Pte Ltd.

关键词： big data

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