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Multi-Scale Time Series Segmentation Network Based on Eddy Current Testing for Detecting Surface Metal Defects

IEEE/CAA Journal of Automatica Sinica 2025年第3期12卷 528-538页

作者： Xiaorui Li Xiaojuan Ban Haoran Qiao Zhaolin Yuan Hong-Ning Dai Chao Yao Yu Guo Mohammad S.Obaidat George Q.Huang the School of Intelligence Science and Technology University of Science and Technology Beijing the Beijing Advanced Innovation Center for Materials Genome Engineering the Key Laboratory of Intelligent Bionic Unmanned Systems and the Institute of Materials Intelligent Technology Liaoning Academy of Materials IEEE the Department of Computer Science Hong Kong Baptist University the School of Computer and Communication Engineering Key Laboratory of Advanced Materials and Devices for Post-Moore Chips Ministry of Education University of Science and Technology Beijing the Beijing Advanced Innovation Center for Materials Genome Engineering University of Science and Technology Beijing the School of Computer and Communication Engineering University of Science and Technology Beijing the King Abdullah Ⅱ School of Information Technology The University of Jordan the Department of Computational Intelligence the School of Computing SRM University the School of Engineering The Amity University The Hong Kong Polytechnic University

In high-risk industrial environments like nuclear power plants, precise defect identification and localization are essential for maintaining production stability and safety. However, the complexity of such a harsh environment leads to significant variations in the shape and size of the defects. To address this challenge, we propose the multivariate time series segmentation network(MSSN), which adopts a multiscale convolutional network with multi-stage and depth-separable convolutions for efficient feature extraction through variable-length templates. To tackle the classification difficulty caused by structural signal variance, MSSN employs logarithmic normalization to adjust instance distributions. Furthermore, it integrates classification with smoothing loss functions to accurately identify defect segments amid similar structural and defect signal subsequences. Our algorithm evaluated on both the Mackey-Glass dataset and industrial dataset achieves over 95% localization and demonstrates the capture capability on the synthetic dataset. In a nuclear plant's heat transfer tube dataset, it captures 90% of defect instances with75% middle localization F1 score.

关键词： Eddy current testing nondestructive testing semantic segmentation time series analysis

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Efficient Distributed Sequence Parallelism for Transformer-based Image Segmentation

Efficient Distributed Sequence Parallelism for Transformer-b...

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IS and T International Symposium on Electronic Imaging 2024: High Performance Computing for Imaging 2024

作者： Lyngaas, Isaac Meena, Murali Gopalakrishnan Calabrese, Evan Wahib, Mohamed Chen, Peng Igarashi, Jun Huo, Yuankai Wang, Xiao National Center for Computational Sciences Oak Ridge National Laboratory Oak RidgeTN United States Computational Sciences and Engineering Division Oak Ridge National Laboratory Oak RidgeTN United States Department of Radiology Duke University DurhamNC United States Riken Center for Computational Science Tokyo Japan National Institute of Advanced Industrial Science and Technology Tokyo Japan Department of Computer Science Vanderbilt University NashvilleTN United States

We introduce an efficient distributed sequence parallel approach for training transformer-based deep learning image segmentation models. The neural network models are comprised of a combination of a Vision Transformer encoder with a convolutional decoder to provide image segmentation mappings. The utility of the distributed sequence parallel approach is especially useful in cases where the tokenized embedding representation of image data are too large to fit into standard computing hardware memory. To demonstrate the performance and characteristics of our models trained in sequence parallel fashion compared to standard models, we evaluate our approach using a 3D MRI brain tumor segmentation dataset. We show that training with a sequence parallel approach can match standard sequential model training in terms of convergence. Furthermore, we show that our sequence parallel approach has the capability to support training of models that would not be possible on standard computing resources. © 2024, Society for Imaging science and Technology.

关键词： Image segmentation

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Trust-Region Based Stochastic Variational Inference for Distributed and Asynchronous Networks

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Journal of Systems science & Complexity 2022年第6期35卷 2062-2076页

作者： FU Weiming QIN Jiahu LING Qing KANG Yu YE Baijia Department of Automation University of Science and Technology of ChinaHefei 230027China Institute of Artificial Intelligence Hefei Comprehensive National Science CenterHefei 230088China School of Computer Science and Engineering and Guangdong Province Key Laboratory of Computational ScienceSun Yat-Sen UniversityGuangzhou 510006China Institute of Advanced Technology University of Science and Technology of ChinaHefei 230027China

Stochastic variational inference is an efficient Bayesian inference technology for massive datasets,which approximates posteriors by using noisy gradient *** stochastic variational inference can only be performed in a centralized manner,which limits its applications in a wide range of situations where data is possessed by multiple ***,this paper develops a novel trust-region based stochastic variational inference algorithm for a general class of conjugate-exponential models over distributed and asynchronous networks,where the global parameters are diffused over the network by using the Metropolis rule and the local parameters are updated by using the trust-region ***,a simple rule is introduced to balance the transmission frequencies between neighboring nodes such that the proposed distributed algorithm can be performed in an asynchronous *** utility of the proposed algorithm is tested by fitting the Bernoulli model and the Gaussian model to different datasets on a synthetic network,and experimental results demonstrate its effectiveness and advantages over existing works.

关键词： Asynchronous networks Bayesian inference distributed algorithm stochastic variational inference trust-region method

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Detecting lithium plating dynamics in a solid-state battery with operando X-ray computed tomography using machine learning

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npj computational Materials 2023年第1期9卷 1402-1410页

作者： Ying Huang David Perlmutter Andrea Fei-Huei Su Jerome Quenum Pavel Shevchenko Dilworth Y.Parkinson Iryna V.Zenyuk Daniela Ushizima Department of Materials Science&Engineering University of California IrvineIrvineCaliforniaUSA National Fuel Cell Research Center University of California IrvineIrvineCaliforniaUSA Applied Math and Computational Research Division Lawrence Berkeley National LaboratoryBerkeleyCaliforniaUSA Department of Chemical&Biomolecular Engineering University of California IrvineIrvineCaliforniaUSA Department of Electrical Engineering and Computer Sciences College of EngineeringUniversity of California BerkeleyBerkeleyCaliforniaUSA Advanced Photon Source Argonne National Laboratory9700 South Cass AvenueLemontIllinoisUSA Advanced Light Source Lawrence Berkeley National LaboratoryBerkeleyCaliforniaUSA Berkeley Institute for Data Science University of California BerkeleyBerkeleyCaliforniaUSA

Operando X-ray micro-computed tomography(µCT)provides an opportunity to observe the evolution of Li structures inside pouch *** is an essential step to quantitatively analyzingµCT datasets but is challenging to achieve on operando Li-metal battery datasets due to the low X-ray attenuation of the Li metal and the sheer size of the ***,we report a computational approach,batteryNET,to train an Iterative Residual U-Net-based network to detect Li *** resulting semantic segmentation shows singular Li-related component changes,addressing diverse morphologies in the *** addition,visualizations of the dead Li are provided,including calculations about the volume and effective thickness of electrodes,deposited Li,and redeposited *** also report discoveries about the spatial relationships between these *** approach focuses on a method for analyzing battery performance,which brings insight that significantly benefits future Li-metal battery design and a semantic segmentation transferrable to other datasets.

关键词： battery lithium state

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Adaptive energy-preserving algorithms for guiding center system

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Plasma science and Technology 2023年第4期25卷 11-22页

作者：朱贝贝刘健张嘉炜祝爱卿唐贻发 Department of Applied Mathematics School of Mathematics and PhysicsUniversity of Science and Technology BeijingBeijing 100083Peopleʼs Republic of China School of Nuclear Science and Technology University of Science and Technology of ChinaHefei 230026Peopleʼs Republic of China Advanced algorithm Joint Lab Shandong Computer Science CenterQilu University of TechnologyJinan 250014Peopleʼs Republic of China The State Key Laboratory of Scientific and Engineering Computing The Institute of Computational Mathematics and Scientific/Engineering ComputingAcademy of Mathematics and Systems ScienceChinese Academy of SciencesBeijing 100190Peopleʼs Republic of China School of Mathematical Sciences University of Chinese Academy of SciencesBeijing 100049Peopleʼs Republic of China

We develop two types of adaptive energy preserving algorithms based on the averaged vector field for the guiding center dynamics,which plays a key role in magnetized *** adaptive scheme is applied to the Gauss Legendre’s quadrature rules and time stepsize respectively to overcome the energy drift problem in traditional energy-preserving *** new adaptive algorithms are second order,and their algebraic order is carefully *** results show that the global energy errors are bounded to the machine precision over long time using these adaptive algorithms without massive extra computation cost.

关键词： guiding center system energy-preserving methods adaptive energy conservation

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CrypToth: Cryptic Pocket Detection through Mixed-Solvent Molecular Dynamics Simulations-Based Topological Data Analysis

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Journal of Chemical Information and Modeling 2025年第11期65卷 5567-5575页

作者： Koseki, Jun Motono, Chie Yanagisawa, Keisuke Kudo, Genki Yoshino, Ryunosuke Hirokawa, Takatsugu Imai, Kenichiro Cellular and Molecular Biotechnology Research Institute National Institute of Advanced Industrial Science and Technology (AIST) Tokyo 135-0064 Japan Integrated Research Center for Self-Care Technology (irc-sct) National Institute of Advanced Industrial Science and Technology (AIST) Tokyo 135-0064 Japan Computational Bio Big-Data Open Innovation Laboratory (CBBD-OIL) National Institute of Advanced Industrial Science and Technology (AIST) Waseda University Shinjuku-ku Tokyo 169-8555 Japan Department of Computer Science School of Computing Institute of Science Tokyo Tokyo 152-8550 Japan Middle Molecule IT-based Drug Discovery Laboratory (MIDL) Institute of Science Tokyo Tokyo 152-8550 Japan Physics Department Graduate School of Pure and Applied Sciences University of Tsukuba Ibaraki 305-8571 Japan Division of Biomedical Science Faculty of Medicine University of Tsukuba Ibaraki 305-8575 Japan Transborder Medical Research Center University of Tsukuba Ibaraki 305-8577 Japan Global Research and Development Center for Business By Quantum-AI Technology (G-QuAT) National Institute of Advanced Industrial Science and Technology (AIST) Ibaraki 305-8560 Japan

Some functional proteins undergo conformational changes to expose hidden binding sites when a binding molecule approaches their surface. Such binding sites are called cryptic sites and are important targets for drug discovery. However, it is still difficult to correctly predict cryptic sites. Therefore, we introduce an advanced method, CrypToth, for the precise identification of cryptic sites utilizing the topological data analysis such as persistent homology method. This method integrates topological data analysis and mixed-solvent molecular dynamics (MSMD) simulations. To identify hotspots corresponding to cryptic sites, we conducted MSMD simulations using six probes with different chemical properties: dimethyl ether, benzene, phenol, methyl imidazole, acetonitrile, and ethylene glycol. Subsequently, we applied our topological data analysis method to rank hotspots based on the possibility of harboring cryptic sites. Evaluation of CrypToth using nine target proteins containing well-defined cryptic sites revealed its superior performance compared with recent machine-learning methods. As a result, in seven of nine cases, hotspots associated with cryptic sites were ranked the highest. CrypToth can explore hotspots on the protein surface favorable to ligand binding using MSMD simulations with six different probes and then identify hotspots corresponding to cryptic sites by assessing the protein’s conformational variability using the topological data analysis. This synergistic approach facilitates the prediction of cryptic sites with a high accuracy. © 2025 The Authors. Published by American Chemical Society.

关键词： Binding sites

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Annotating TSSs in Multiple Cell Types Based on DNA Sequence and RNA-seq Data via DeeReCT-TSS

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Genomics, Proteomics & Bioinformatics 2022年第5期20卷 959-973页

作者： Juexiao Zhou Bin Zhang Haoyang Li Longxi Zhou Zhongxiao Li Yongkang Long Wenkai Han Mengran Wang Huanhuan Cui Jingjing Li Wei Chen Xin Gao Computer Science Program ComputerElectrical and Mathematical Sciences and Engineering DivisionKing Abdullah University of Science and TechnologyThuwal 23955-6900Saudi Arabia Computational Bioscience Research Center King Abdullah University of Science and TechnologyThuwal 23955-6900Saudi Arabia Department of Biology School of Life SciencesSouthern University of Science and TechnologyShenzhen 518055China Shenzhen Key Laboratory of Gene Regulation and Systems Biology School of Life SciencesSouthern University of Science and TechnologyShenzhen 518055China Academy for Advanced Interdisciplinary Studies Southern University of Science and TechnologyShenzhen 518055China

The accurate annotation of transcription start sites(TSSs)and their usage are critical for the mechanistic understanding of gene regulation in different biological *** fulfill this,specific high-throughput experimental technologies have been developed to capture TSSs in a genome-wide manner,and various computational tools have also been developed for in silico prediction of TSSs solely based on genomic *** of these computational tools cast the problem as a binary classification task on a balanced dataset,thus resulting in drastic false positive predictions when applied on the genome ***,we present Dee Re CT-TSS,a deep learningbased method that is capable of identifying TSSs across the whole genome based on both DNA sequence and conventional RNA sequencing *** show that by effectively incorporating these two sources of information,Dee Re CT-TSS significantly outperforms other solely sequence-based methods on the precise annotation of TSSs used in different cell ***,we develop a meta-learning-based extension for simultaneous TSS annotations on 10 cell types,which enables the identification of cell type-specific ***,we demonstrate the high precision of DeeReCT-TSS on two independent datasets by correlating our predicted TSSs with experimentally defined TSS chromatin *** source code for Dee Re CT-TSS is available at https://github.-com/Joshua Chou2018/Dee Re CT-TSS_release and https://***/biocode/tools/BT007316.

关键词： Transcription start site Machine learning Deep learning Meta-learning RNA sequencing

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Operando FTIR study on water additive in lithium-sulfur batteries to mitigate shuttle effect

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Journal of Energy Chemistry 2024年第11期98卷 702-713页

作者： Érick A.Santos Martim C.Policano Manuel J.Pinzón Isabela Galantini Vanessa A.Goncalves Francisco C.B.Maia Lucyano J.A.Macedo Gustavo Doubek Renato G.Freitas Hudson Zanin Advanced Energy Storage Division Center for Innovation on New EnergiesSchool of Electrical and Computer EngineeringUniversity of CampinasAv Albert Einstein 400CampinasSP 13083-852Brazil Catalytic Processes and Materials Group Department of Chemical EngineeringFaculty of Science and TechnologyMESA+Institute for NanotechnologyUniversity of TwentePO Box 2177500 AE EnschedeThe Netherlands Centre for Cooperative Research on Alternative Energies(CIC EnergiGUNE) Basque Research and Technology Alliance(BRTA)Vitoria-Gasteiz 01510Spain Institute of Physics&Institute of Chemistry Laboratory of Computational MaterialsFederal University of Mato GrossoCuiabá78060-900MTBrazil Brazilian Synchrotron Light Laboratory Brazilian Center for Research in Energy and MaterialsCampinas 13083-970SPBrazil Advanced Energy Storage Division LABCenter for Innovation on New EnergiesSchool of Chemical EngineeringUniversity of CampinasAv Albert Einstein 500Campinas 13083-852SPBrazil

Additives in the electrolytes of Li-S batteries aim to increase overall capacity,improve Li ion conductivity,enhance cyclability,and mitigate the shuttle effect,which is one of the major issues of this ***,the use of water as an additive in the commonly used electrolyte,1.0 M LiTFSI/1.0%(w/w) LiNO_(3) and a 1:1 mixture of 1,3-dioxolane(DOL) and 1,2-dimethoxyethane(DME) was *** used Co_(2)Mn_(0.5)Al_(0.5)O_(4)(CMA) as an electrocatalyst anchored on an activated carbon(AC) electrode with added sulfur via a melt-diffusion *** structural analysis of CMA via Rietveld refinement showed interatomic spaces that can promote ionic conductivity,facilitating Li^(+) ion *** tests determined 1600 ppm as the optimal water concentration,significantly reducing the shuttle ***-mortem XPS analysis focused on the lithium metal anode revealed the formation of Li_(2)O layers in dry samples and LiOH in wet *** capacity was observed in wet samples,which can be attributed to the superior ionic conductivity of LiOH at the electrode/electrolyte interface,surpassing that of Li_(2)O by 12 ***,Operando FTIR experiments provided real-time insights into electrolyte degradation and SEI formation,elucidating the activity mechanisms of water and Li_(2)CO_(3) over the *** work presents results that could aid future advancements in Li-S battery technology,offering possibilities to mitigate its challenges with inexpensive and scalable additives.

关键词： Diffusion Li-S Ionic conductivity Operando FTIR

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Position: Bayesian Deep Learning is Needed in the Age of Large-Scale AI 41

Position: Bayesian Deep Learning is Needed in the Age of Lar...

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41st International Conference on Machine Learning, ICML 2024

作者： Papamarkou, Theodore Skoularidou, Maria Palla, Konstantina Aitchison, Laurence Arbel, Julyan Dunson, David Filippone, Maurizio Fortuin, Vincent Hennig, Philipp Hernández-Lobato, José Miguel Hubin, Aliaksandr Immer, Alexander Karaletsos, Theofanis Khan, Mohammad Emtiyaz Kristiadi, Agustinus Li, Yingzhen Mandt, Stephan Nemeth, Christopher Osborne, Michael A. Rudner, Tim G.J. Rügamer, David Teh, Yee Whye Welling, Max Wilson, Andrew Gordon Zhang, Ruqi Department of Mathematics The University of Manchester Manchester United Kingdom Eric and Wendy Schmidt Center Broad Institute of MIT and Harvard Cambridge United States Spotify London United Kingdom Computational Neuroscience Unit University of Bristol Bristol United Kingdom Centre Inria de l'Université Grenoble Alpes Grenoble France Department of Statistical Science Duke University United States Statistics Program KAUST Saudi Arabia Helmholtz AI Munich Germany Department of Computer Science Technical University of Munich Munich Germany Munich Center for Machine Learning Munich Germany Tübingen AI Center University of Tübingen Tübingen Germany Department of Engineering University of Cambridge Cambridge United Kingdom Department of Mathematics University of Oslo Oslo Norway Bioinformatics and Applied Statistics Norwegian University of Life Sciences Ås Norway Department of Computer Science ETH Zurich Switzerland Chan Zuckerberg Initiative CA United States Center for Advanced Intelligence Project RIKEN Tokyo Japan Vector Institute Toronto Canada Department of Computing Imperial College London London United Kingdom Department of Computer Science UC Irvine Irvine United States Department of Mathematics and Statistics Lancaster University Lancaster United Kingdom Department of Engineering Science University of Oxford Oxford United Kingdom Center for Data Science New York University New York United States Department of Statistics LMU Munich Munich Germany DeepMind London United Kingdom Department of Statistics University of Oxford Oxford United Kingdom Informatics Institute University of Amsterdam Amsterdam Netherlands Courant Institute of Mathematical Sciences Center for Data Science Computer Science Department New York University New York United States Department of Computer Science Purdue University West Lafayette United States

In the current landscape of deep learning research, there is a predominant emphasis on achieving high predictive accuracy in supervised tasks involving large image and language datasets. However, a broader perspective reveals a multitude of overlooked metrics, tasks, and data types, such as uncertainty, active and continual learning, and scientific data, that demand attention. Bayesian deep learning (BDL) constitutes a promising avenue, offering advantages across these diverse settings. This paper posits that BDL can elevate the capabilities of deep learning. It revisits the strengths of BDL, acknowledges existing challenges, and highlights some exciting research avenues aimed at addressing these obstacles. Looking ahead, the discussion focuses on possible ways to combine large-scale foundation models with BDL to unlock their full potential. Copyright 2024 by the author(s)

关键词： Contrastive Learning

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Biomedical data and AI

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science China Life sciences 2025年第5期68卷 1536-1540页

作者： Hao Xu Shibo Zhou Zefeng Zhu Vincenzo Vitelli Liangyi Chen Ziwei Dai Ning Yang Luhua Lai Shengyong Yang Sergey Ovchinnikov Zhuoran Qiao Sirui Liu Chen Song Jianfeng Pei Han Wen Jianfeng Feng Yaoyao Zhang Zhengwei Xie Yang-Yu Liu Zhiyuan Li Fulai Jin Hao Li Mohammad Lotfollahi Xuegong Zhang Ge Yang Shihua Zhang Ge Gao Pulin Li Qi Liu Jing-Dong Jackie Han Peking-Tsinghua Center for Life Sciences (CLS) Academy for Advanced Interdisciplinary StudiesPeking University Center for Quantitative Biology (CQB) Academy for Advanced Interdisciplinary StudiesPeking University Peking University-Tsinghua University-National Institute of Biological Sciences Joint Graduate Program Academy for Advanced Interdisciplinary StudiesPeking University Department of Physics University of Chicago School of Life Sciences Southern University of Science and Technology Peking University Chengdu Academy for Advanced Interdisciplinary Biotechnologies College of Chemistry and Molecular Engineering Peking University Department of Biotherapy Cancer Center and State Key Laboratory of BiotherapyWest China HospitalSichuan University Department of Biology Massachusetts Institute of Technology Lambic Therapeutics Inc. Changping Laboratory Al for Science Institute Key Laboratory of Computational Neuroscience and Brain-Inspired Intelligence Fudan University Department of Obstetrics and Gynecology West China Second University HospitalSichuan University Peking University International Cancer Institute and Peking University-Yunnan Baiyao International Medical Institute and State Key Laboratory of Natural and Biomimetic Drugs Department of Molecular and Cellular PharmacologySchool of Pharmaceutical SciencesPeking University Health Science CenterPeking University Channing Division of Network Medicine Department of MedicineBrigham and Women's Hospital and Harvard Medical School Center for Artificial Intelligence and Modeling the Carl R.Woese Institute for Genomic BiologyUniversity of Illinois Urbana-Champaign Department of Genetics and Genome Sciences School of Medicine and Department of Computer and Data Sciences and Department of Population and Quantitative Health SciencesCase Western Reserve University Department of Biochemistry and Biophysics University of California Sanger Institute Department of Automation Tsinghua University State Key Laboratory of Multimodal Artificial Intelligence Systems I

The development of artificial intelligence(AI) and the mining of biomedical data complement each other. From the direct use of computer vision results to analyze medical images for disease screening, to now integrating biological knowledge into models and even accelerating the development of new AI based on biological discoveries, the boundaries of both are constantly expanding, and their connections are becoming closer.

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