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arXiv 2023年

作者： Li, Zhixun Wang, Liang Sun, Xin Luo, Yifan Zhu, Yanqiao Chen, Dingshuo Luo, Yingtao Zhou, Xiangxin Liu, Qiang Wu, Shu Yu, Jeffrey Xu Department of Systems Engineering and Engineering Management The Chinese University of Hong Kong Hong Kong Center for Research on Intelligent Perception Computing State Key Laboratory of Multimodal Artificial Intelligence Systems Institute of Automation Chinese Academy of Sciences China School of Artificial Intelligence University of Chinese Academy of Sciences China Department of Automation University of Science and Technology of China China School of Cyberspace Security Beijing University of Posts and Telecommunications China Department of Computer Science University of California Los Angeles United States Heinz College of Information Systems and Public Policy Machine Learning Department School of Computer Science Carnegie Mellon University United States

Graph Structure learning (GSL) has recently garnered considerable attention due to its ability to optimize both the parameters of Graph Neural Networks (GNNs) and the computation graph structure simultaneously. Despite the proliferation of GSL methods developed in recent years, there is no standard experimental setting or fair comparison for performance evaluation, which creates a great obstacle to understanding the progress in this field. To fill this gap, we systematically analyze the performance of GSL in different scenarios and develop a comprehensive Graph Structure learning Benchmark (GSLB) curated from 20 diverse graph datasets and 16 distinct GSL algorithms. Specifically, GSLB systematically investigates the characteristics of GSL in terms of three dimensions: effectiveness, robustness, and complexity. We comprehensively evaluate state-of-the-art GSL algorithms in node- and graph-level tasks, and analyze their performance in robust learning and model complexity. Further, to facilitate reproducible research, we have developed an easy-to-use library for training, evaluating, and visualizing different GSL methods. Empirical results of our extensive experiments demonstrate the ability of GSL and reveal its potential benefits on various downstream tasks, offering insights and opportunities for future research. The code of GSLB is available at: https://***/GSL-Benchmark/GSLB. © 2023, CC BY.

关键词： Benchmarking

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Consensus-Based Optimization Methods Converge Globally

arXiv

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arXiv 2021年

作者： Fornasier, Massimo Klock, Timo Riedl, Konstantin Technical University of Munich School of Computation Information and Technology Department of Mathematics Munich Germany Munich Center for Machine Learning Munich Germany Munich Data Science Institute Munich Germany Simula Research Laboratory Department of Numerical Analysis and Scientific Computing Oslo Norway University of San Diego Department of Mathematics San DiegoCA United States

In this paper, we study consensus-based optimization (CBO), which is a multi-agent metaheuristic derivative-free optimization method that can globally minimize nonconvex nonsmooth functions and is amenable to theoretical analysis. Based on an experimentally supported intuition that, on average, CBO performs a gradient descent of the squared Euclidean distance to the global minimizer, we devise a novel technique for proving the convergence to the global minimizer in mean-field law for a rich class of objective functions. The result unveils internal mechanisms of CBO that are responsible for the success of the method. In particular, we prove that CBO performs a convexification of a large class of optimization problems as the number of optimizing agents goes to infinity. Furthermore, we improve prior analyses by requiring mild assumptions about the initialization of the method and by covering objectives that are merely locally Lipschitz continuous. As a core component of this analysis, we establish a quantitative nonasymptotic Laplace principle, which may be of independent interest. From the result of CBO convergence in mean-field law, it becomes apparent that the hardness of any global optimization problem is necessarily encoded in the rate of the mean-field approximation, for which we provide a novel probabilistic quantitative estimate. The combination of these results allows to obtain probabilistic global convergence guarantees of the numerical CBO *** Codes 65K10, 90C26, 90C56, 35Q90, 35Q84 Copyright © 2021, The Authors. All rights reserved.

关键词： Fokker Planck equation

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Multi-label Classification with High-rank and High-order Label Correlations

arXiv

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arXiv 2022年

作者： Si, Chongjie Jia, Yuheng Wang, Ran Zhang, Min-Ling Feng, Yanghe Qu, Chongxiao The Chien-Shiung Wu College Southeast University Nanjing210096 China The MoE Key Lab of Artificial Intelligence AI Institute Shanghai Jiao Tong University Shanghai200240 China The School of Computer Science and Engineering Southeast University Nanjing210096 China Ministry of Education China School of Computing & Information Sciences Caritas Institute of Higher Education Hong Kong The Key Laboratory of Computer Network and Information Integration Southeast University Ministry of Education China The School of Mathematical Science Shenzhen University Shenzhen518060 China Shenzhen Key Laboratory of Advanced Machine Learning and Applications Shenzhen University Shenzhen518060 China The College of Systems Engineering National University of Defense Technology China The 52nd Research Institute of China Electronics Technology Group China

Exploiting label correlations is important to multi-label classification. Previous methods capture the high-order label correlations mainly by transforming the label matrix to a latent label space with low-rank matrix factorization. However, the label matrix is generally a full-rank or approximate full-rank matrix, making the low-rank factorization inappropriate. Besides, in the latent space, the label correlations will become implicit. To this end, we propose a simple yet effective method to depict the high-order label correlations explicitly, and at the same time maintain the high-rank of the label matrix. Moreover, we estimate the label correlations and infer model parameters simultaneously via the local geometric structure of the input to achieve mutual enhancement. Comparative studies over twelve benchmark data sets validate the effectiveness of the proposed algorithm in multi-label classification. The exploited high-order label correlations are consistent with common sense empirically. Our code is publicly available at https://***/Chongjie-Si/HOMI. Copyright © 2022, The Authors. All rights reserved.

关键词： Matrix algebra

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Unsupervised ensemble learning based on graph embedding for image clustering 25th

Unsupervised ensemble learning based on graph embedding for ...

引用

25th International Conference on Neural Information Processing, ICONIP 2018

作者： Luo, Xiaohui Zhang, Li Li, Fanzhang Hu, Chengxiang School of Computer Science and Technology and Joint International Research Laboratory of Machine Learning and Neuromorphic Computing Provincial Key Laboratory for Computer Information Processing Technology Soochow University SuzhouJiangsu215006 China

ISBN: (纸本)9783030041816

Manifold learning has attracted more and more attention in machine learning for past decades. Unsupervised Large Graph Embedding (ULGE), which performs well on the large-scale data, has been proposed for manifold learning. To improve the clustering performance, a novel Unsupervised Ensemble learning based on Graph Embedding (UEL-GE) is explored, which takes ULGE to get low-dimensional embeddings of the given data and uses the K-means method to obtain the clustering results. Furthermore, the multiple clusterings are corrected by using the bestMap method. Finally, the corrected clusterings are combined to generate the final clustering. Extensive experiments on several data sets are conducted to show the efficiency and effectiveness of the proposed ensemble learning method. © Springer Nature Switzerland AG 2018.

关键词： K-means clustering

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A multi-objective deep reinforcement learning algorithm for spatio-temporal latency optimization in mobile IoT-enabled edge computing networks

引用

Simulation Modelling Practice and Theory 2025年 143卷

作者： Parisa Khoshvaght Amir Haider Amir Masoud Rahmani Farhad Soleimanian Gharehchopogh Ferzat Anka Jan Lansky Mehdi Hosseinzadeh Institute of Research and Development Duy Tan University Da Nang Vietnam School of Engineering & Technology Duy Tan University Da Nang Vietnam Centre for Research Impact & Outcome Chitkara University Institute of Engineering and Technology Chitkara University Rajpura 140401 Punjab India Department of AI and Robotics Sejong University Seoul 05006 Republic of Korea Future Technology Research Center National Yunlin University of Science and Technology Yunlin Taiwan Department of Computer Engineering Ur. C. Islamic Azad University Urmia Iran Data Science Application and Research Center (VEBIM) Fatih Sultan Mehmet Vakif University Istanbul Türkiye Department of Computer Science and Mathematics Faculty of Economic Studies University of Finance and Administration Prague Czech Republic Pattern Recognition and Machine Learning Laboratory School of Computing Gachon University Seongnam Republic of Korea

The rapid increase in Mobile Internet of Things (IoT) devices requires novel computational frameworks. These frameworks must meet strict latency and energy efficiency requirements in Edge and Mobile Edge computing (MEC) systems. Spatio-temporal dynamics, which include the position of edge servers and the timing of task schedules, pose a complex optimization problem. These challenges are further exacerbated by the heterogeneity of IoT workloads and the constraints imposed by device mobility. The balance between computational overhead and communication challenges is also a problem. To solve these issues, advanced methods are needed for resource management and dynamic task scheduling in mobile IoT and edge computing environments. In this paper, we propose a Deep Reinforcement learning (DRL) multi-objective algorithm, called a Double Deep Q-learning (DDQN) framework enhanced with Spatio-temporal mobility prediction, latency-aware task offloading, and energy-constrained IoT device trajectory optimization for federated edge computing networks. DDQN was chosen for its optimize stability and reduced overestimation in Q-values. The framework employs a reward-driven optimization model that dynamically prioritizes latency-sensitive tasks, minimizes task migration overhead, and balances energy efficiency across devices and edge servers. It integrates dynamic resource allocation algorithms to address random task arrival patterns and real-time computational demands. Simulations demonstrate up to a 35 % reduction in end-to-end latency, a 28 % improvement in energy efficiency, and a 20 % decrease in the deadline-miss ratio compared to benchmark algorithms.

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Computational analysis of laminar structure of the human cortex based on local neuron features

arXiv

引用

arXiv 2019年

作者： Stajduhar, Andrija Lipic, Tomislav Sedmak, Goran Loncaric, Sven Judaš, Milos Croatian Institute for Brain Research University of Zagreb School of Medicine Šalata 12 Zagreb10000 Croatia Laboratory for Machine Learning and Knowledge Representation Rud-er Boškovic Institute Faculty of Electrical Engineering and Computing University of Zagreb

In this paper, we present a novel method for analysis and segmentation of laminar structure of the cortex based on tissue characteristics whose change across the gray matter facilitates distinction between cortical layers. We develop and analyze features of individual neurons to investigate changes in architectonic differentiation and present a novel high-performance, automated tree-ensemble method trained on data manually labeled by three human investigators. From the location and basic measures of neurons, more complex features are developed and used in machine learning models for automatic segmentation of cortical layers. Tree ensembles are used on data manually labeled by three human experts. The most accurate classification results were obtained by training three models separately and creating another ensemble by combining probability outputs for final neuron layer classification. Measurement of importances of developed neuron features on both global model level and individual prediction level are obtained. Copyright © 2019, The Authors. All rights reserved.

关键词： Neurons

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DPA-2: a large atomic model as a multi-task learner

arXiv

引用

arXiv 2023年

作者： Zhang, Duo Liu, Xinzijian Zhang, Xiangyu Zhang, Chengqian Cai, Chun Bi, Hangrui Du, Yiming Qin, Xuejian Peng, Anyang Huang, Jiameng Li, Bowen Shan, Yifan Zeng, Jinzhe Zhang, Yuzhi Liu, Siyuan Li, Yifan Chang, Junhan Wang, Xinyan Zhou, Shuo Liu, Jianchuan Luo, Xiaoshan Wang, Zhenyu Jiang, Wanrun Wu, Jing Yang, Yudi Yang, Jiyuan Yang, Manyi Gong, Fu-Qiang Zhang, Linshuang Shi, Mengchao Dai, Fu-Zhi York, Darrin M. Liu, Shi Zhu, Tong Zhong, Zhicheng Lv, Jian Cheng, Jun Jia, Weile Chen, Mohan Ke, Guolin Weinan, E. Zhang, Linfeng Wang, Han AI for Science Institute Beijing100080 China DP Technology Beijing100080 China Academy for Advanced Interdisciplinary Studies Peking University Beijing100871 China State Key Lab of Processors Institute of Computing Technology Chinese Academy of Sciences Beijing100871 China University of Chinese Academy of Sciences Beijing100871 China HEDPS CAPT College of Engineering Peking University Beijing100871 China Ningbo Institute of Materials Technology and Engineering Chinese Academy of Sciences Ningbo315201 China CAS Key Laboratory of Magnetic Materials and Devices Zhejiang Province Key Laboratory of Magnetic Materials and Application Technology Chinese Academy of Sciences Ningbo315201 China School of Electronics Engineering and Computer Science Peking University Beijing100871 China Shanghai Engineering Research Center of Molecular Therapeutics & New Drug Development School of Chemistry and Molecular Engineering East China Normal University Shanghai200062 China Laboratory for Biomolecular Simulation Research Institute for Quantitative Biomedicine Department of Chemistry and Chemical Biology Rutgers University PiscatawayNJ08854 United States Department of Chemistry Princeton University PrincetonNJ08540 United States College of Chemistry and Molecular Engineering Peking University Beijing100871 China Yuanpei College Peking University Beijing100871 China School of Electrical Engineering and Electronic Information Xihua University Chengdu610039 China State Key Laboratory of Superhard Materials College of Physics Jilin University Changchun130012 China Key Laboratory of Material Simulation Methods & Software of Ministry of Education College of Physics Jilin University Changchun130012 China International Center of Future Science Jilin University Changchun130012 China Key Laboratory for Quantum Materials of Zhejiang Province Department of Physics School of Science Westlake University Zhejiang Hangzhou310030 China Atomistic Simulations Italia

The rapid advancements in artificial intelligence (AI) are catalyzing transformative changes in atomic modeling, simulation, and design. AI-driven potential energy models have demonstrated the capability to conduct large-scale, long-duration simulations with the accuracy of ab initio electronic structure methods. However, the model generation process remains a bottleneck for large-scale applications. We propose a shift towards a model-centric ecosystem, wherein a large atomic model (LAM), pre-trained across multiple disciplines, can be efficiently fine-tuned and distilled for various downstream tasks, thereby establishing a new framework for molecular modeling. In this study, we introduce the DPA-2 architecture as a prototype for LAMs. Pre-trained on a diverse array of chemical and materials systems using a multi-task approach, DPA-2 demonstrates superior generalization capabilities across multiple downstream tasks compared to the traditional single-task pre-training and fine-tuning methodologies. Our approach sets the stage for the development and broad application of LAMs in molecular and materials simulation research. Copyright © 2023, The Authors. All rights reserved.

关键词： Multi-task learning

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Magnetostatics and micromagnetics with physics informed neural networks

arXiv

引用

arXiv 2021年

作者： Kovacs, Alexander Exl, Lukas Kornell, Alexander Fischbacher, Johann Hovorka, Markus Gusenbauer, Markus Breth, Leoni Oezelt, Harald Praetorius, Dirk Suess, Dieter Schrefl, Thomas Christian Doppler Laboratory for Magnet design through physics informed machine learning Viktor Kaplan-Straße 2E Wiener Neustadt2700 Austria Department for Integrated Sensor Systems Danube University Krems Viktor Kaplan-Straße 2E Wiener Neustadt2700 Austria Department of Mathematics University of Vienna Oskar-Morgenstern-Platz 1 Vienna1090 Austria Wolfgang Pauli Institute Oskar-Morgenstern-Platz 1 Vienna1090 Austria Research Platform MMM Mathematics-Magnetism-Materials Oskar-Morgenstern-Platz 1 Vienna1090 Austria Institute of Analysis and Scientific Computing TU Wien Wiedner Hauptstraße 8-10 Vienna1040 Austria Physics of Functional Materials University of Vienna Währinger Straße 17 Vienna1090 Austria

Partial differential equations and variational problems can be solved with physics informed neural networks (PINNs). The unknown field is approximated with neural networks. Minimizing the residuals of the static Maxwell equation at collocation points or the magnetostatic energy, the weights of the neural network are adjusted so that the neural network solution approximates the magnetic vector potential. This way, the magnetic flux density for a given magnetization distribution can be estimated. With the magnetization as an additional unknown, inverse magnetostatic problems can be solved. Augmenting the magnetostatic energy with additional energy terms, micromagnetic problems can be solved. We demonstrate the use of physics informed neural networks for solving magnetostatic problems, computing the magnetization for inverse problems, and calculating the demagnetization curves for two-dimensional *** Codes I.6.3, I.6.5, I.2.6 Copyright © 2021, The Authors. All rights reserved.

关键词： Inverse problems

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FUTURE-AI: International consensus guideline for trustworthy and deployable artificial intelligence in healthcare

arXiv

引用

arXiv 2023年

作者： Lekadir, Karim Feragen, Aasa Fofanah, Abdul Joseph Frangi, Alejandro F. Buyx, Alena Emelie, Anais Lara, Andrea Porras, Antonio R. Chan, An-Wen Navarro, Arcadi Glocker, Ben Botwe, Benard O. Khanal, Bishesh Beger, Brigit Wu, Carol C. Cintas, Celia Langlotz, Curtis P. Rueckert, Daniel Mzurikwao, Deogratias Fotiadis, Dimitrios I. Zhussupov, Doszhan Ferrante, Enzo Meijering, Erik Weicken, Eva González, Fabio A. Asselbergs, Folkert W. Prior, Fred Krestin, Gabriel P. Collins, Gary S. Tegenaw, Geletaw S. Kaissis, Georgios Misuraca, Gianluca Tsakou, Gianna Dwivedi, Girish Kondylakis, Haridimos Jayakody, Harsha Woodruf, Henry C. Mayer, Horst Joachim Aerts, Hugo JWL Walsh, Ian Chouvarda, Ioanna Buvat, Irène Tributsch, Isabell Rekik, Islem Duncan, James Kalpathy-Cramer, Jayashree Zahir, Jihad Park, Jinah Mongan, John Gichoya, Judy W. Schnabel, Julia A. Kushibar, Kaisar Riklund, Katrine Mori, Kensaku Marias, Kostas Amugongo, Lameck M. Fromont, Lauren A. Maier-Hein, Lena Alberich, Leonor Cerdá Rittner, Leticia Phiri, Lighton Marrakchi-Kacem, Linda Donoso-Bach, Lluís Martí-Bonmatí, Luis Cardoso, M. Jorge Bobowicz, Maciej Shabani, Mahsa Tsiknakis, Manolis Zuluaga, Maria A. Bielikova, Maria Fritzsche, Marie-Christine Camacho, Marina Linguraru, Marius George Wenzel, Markus De Bruijne, Marleen Tolsgaard, Martin G. Ghassemi, Marzyeh Ashrafuzzaman, Md Goisauf, Melanie Yaqub, Mohammad Abadía, Mónica Cano Mahmoud, Mukhtar M.E. Elattar, Mustafa Rieke, Nicola Papanikolaou, Nikolaos Lazrak, Noussair Díaz, Oliver Salvado, Olivier Pujol, Oriol Sall, Ousmane Guevara, Pamela Gordebeke, Peter Lambin, Philippe Brown, Pieta Abolmaesumi, Purang Dou, Qi Lu, Qinghua Osuala, Richard Nakasi, Rose Zhou, S. Kevin Napel, Sandy Colantonio, Sara Albarqouni, Shadi Joshi, Smriti Carter, Stacy Klein, Stefan Petersen, Steffen E. Aussó, Susanna Awate, Suyash Raviv, Tammy Riklin Cook, Tessa Mutsvangwa, Tinashe E.M. Rogers, Wendy A. Niessen, Wiro J. Puig-Bosch, Xènia Zeng, Yi Mohammed, Yunusa G. Aquino, Yves Saint James Salahuddin, Zohaib Starmans, Martijn P.A. Department de Matemàtiques i Informàtica Universitat de Barcelona Barcelona Spain Barcelona Spain DTU Compute Technical University of Denmark Kgs Lyngby Denmark Department of Mathematics and Computer Science Faculty of Science and Technology Milton Margai Technical University Freetown Sierra Leone Center for Computational Imaging & Simulation Technologies in Biomedicine Schools of Computing and Medicine University of Leeds Leeds United Kingdom Cardiovascular Science and Electronic Engineering Departments KU Leuven Leuven Belgium Institute of History and Ethics in Medicine Technical University of Munich Munich Germany Faculty of Engineering of Systems Informatics and Sciences of Computing Galileo University Guatemala City Guatemala Department of Biostatistics and Informatics Colorado School of Public Health University of Colorado Anschutz Medical Campus AuroraCO United States Department of Medicine Women’s College Research Institute University of Toronto Toronto Canada Universitat Pompeu Fabra BarcelonaBeta Brain Research Center Barcelona Spain Department of Computing Imperial College London London United Kingdom School of Biomedical & Allied Health Sciences University of Ghana Accra Ghana Department of Midwifery & Radiography School of Health & Psychological Sciences City University of London United Kingdom Kathmandu Nepal European Heart Network Brussels Belgium Department of Thoracic Imaging University of Texas MD Anderson Cancer Center Houston United States IBM Research Africa Nairobi Kenya Departments of Radiology Medicine and Biomedical Data Science Stanford University School of Medicine Stanford United States Institute for AI and Informatics in Medicine Klinikum rechts der Isar Technical University Munich Munich Germany Department of Computing Imperial College London London United Kingdom Muhimbili University of Health and Allied Sciences Dar es Salaam Tanzania United Republic of Ioannina Greece Almaty AI Lab Almaty Kazakhstan

Background: Despite major advances in artificial intelligence (AI) research for healthcare, the deployment and adoption of AI technologies remain limited in clinical practice. In recent years, concerns have been raised about the clinical, technical, ethical and legal risks associated with healthcare AI. To increase adoption in the real world, it is essential that AI technologies are trusted and accepted by patients, clinicians, health organisations and authorities. This paper describes the FUTURE-AI framework as the first international consensus guideline for trustworthy AI in healthcare. Methods: The FUTURE-AI consortium was founded in 2021 and now comprises 117 interdisciplinary experts from 50 countries representing all continents, including AI scientists, clinical researchers, biomedical ethicists, and social scientists. Over a two-year period, the consortium established guiding principles and best practices for trustworthy and deployable AI through an iterative process comprising an in-depth literature review, a modified Delphi survey, and online consensus meetings. Findings: The FUTURE-AI framework was established based on six guiding principles for trustworthy AI in healthcare, i.e. Fairness, Universality, Traceability, Usability, Robustness and Explainability. Through consensus, a set of 30 best practices were defined, addressing technical, clinical, socio-ethical and legal dimensions of trustworthy AI. The recommendations cover the entire lifecycle of healthcare AI, from design, development and validation to regulation, deployment, and monitoring. Interpretation: FUTURE-AI is a structured, risk-informed framework which provides guidance for constructing healthcare AI tools that will be trusted, deployed and adopted in real-world clinical practice. researchers are encouraged to take the recommendations into account in proof-of-concept stages to facilitate future translation towards clinical practice of healthcare AI. Copyright © 2023, The Authors. All rights

关键词： Clinical research

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Strategic priorities for transformative progress in advancing biology with proteomics and artificial intelligence

arXiv

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arXiv 2025年

作者： Sun, Yingying Jun, A. Liu, Zhiwei Sun, Rui Qian, Liujia Payne, Samuel H. Bittremieux, Wout Ralser, Markus Li, Chen Chen, Yi Dong, Zhen Perez-Riverol, Yasset Khan, Asif Sander, Chris Aebersold, Ruedi Vizcaíno, Juan Antonio Krieger, Jonathan R. Yao, Jianhua Wen, Han Zhang, Linfeng Zhu, Yunping Xuan, Yue Sun, Benjamin Boyang Qiao, Liang Hermjakob, Henning Tang, Haixu Gao, Huanhuan Deng, Yamin Zhong, Qing Chang, Cheng Bandeira, Nuno Li, Ming Weinan, E. Sun, Siqi Yang, Yuedong Omenn, Gilbert S. Zhang, Yue Xu, Ping Fu, Yan Liu, Xiaowen Overall, Christopher M. Wang, Yu Deutsch, Eric W. Chen, Luonan Cox, Jürgen Demichev, Vadim He, Fuchu Huang, Jiaxing Jin, Huilin Liu, Chao Li, Nan Luan, Zhongzhi Song, Jiangning Yu, Kaicheng Wan, Wanggen Wang, Tai Zhang, Kang Zhang, Le Bell, Peter A. Mann, Matthias Zhang, Bing Guo, Tiannan Affiliated Hangzhou First People’s Hospital State Key Laboratory of Medical Proteomics School of Medicine Westlake University Zhejiang Province Hangzhou China Westlake Center for Intelligent Proteomics Westlake Laboratory of Life Sciences and Biomedicine Zhejiang Province Hangzhou China Biology Department Brigham Young University ProvoUT84602 United States Department of Computer Science University of Antwerp Antwerp2020 Belgium Department of Biochemistry CharitéUniversitätsmedizin Berlin Berlin Germany Biomedicine Discovery Institute Department of Biochemistry and Molecular Biology Monash University MelbourneVICVIC 3800 Australia Wellcome Genome Campus Hinxton CambridgeCB10 1SD United Kingdom Harvard Medical School Ludwig Center at Harvard United States Harvard Medical School Broad Institute Ludwig Center at Harvard Dana-Farber Cancer Institute United States Department of Biology Institute of Molecular Systems Biology ETH Zürich Zürich Switzerland Bruker Ltd. MiltonONL9T 6P4 Canada AI for Life Sciences Lab Tencent Shenzhen518057 China State Key Laboratory of Medical Proteomics AI for Science Institute Beijing100080 China Beijing Institute of Lifeomics Beijing102206 China Thermo Fisher Scientific GmbH Hanna-Kunath Str. 11 Bremen28199 Germany Informatics and Predictive Sciences Research Bristol Myers Squibb United States Department of Chemistry Fudan University Songhu Road 2005 Shanghai200438 China Department of Computer Science Luddy School of Informatics Computing and Engineering Indiana University IN47408 United States ProCan® Children’s Medical Research Institute Faculty of Medicine and Health The University of Sydney WestmeadNSW Australia La Jolla CA United States Central China Institute of Artificial Intelligence University of Waterloo Canada AI for Science Institute Center for Machine Learning Research School of Mathematical Sciences Peking University China Research Institute of Intelligent Complex Systems Fudan U

Artificial intelligence (AI) is transforming scientific research, including proteomics. Advances in mass spectrometry (MS)-based proteomics data quality, diversity, and scale, combined with groundbreaking AI techniques, are unlocking new challenges and opportunities in biological discovery. Here, we highlight key areas where AI is driving innovation, from data analysis to new biological insights. These include developing an AI-friendly ecosystem for proteomics data generation, sharing, and analysis;improving peptide and protein identification and quantification;characterizing protein-protein interactions and protein complexes;advancing spatial and perturbation proteomics;integrating multi-omics data;and ultimately enabling AI-empowered virtual cells. © 2025, CC BY.

关键词： Biotic

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