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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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Consistent Discretization of a Class of Predefined-Time Stable systems

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IFAC-PapersOnLine 2020年第2期53卷 628-633页

作者： Esteban Jiménez-Rodríguez Rodrigo Aldana-López Juan D. Sánchez-Torres David Gómez-Gutiérrez Alexander G. Loukianov Relativity6 Inc. Computer Science & Artificial Intelligence Lab Jalisco 45040 México Department of Computer Science and Systems Engineering University of Zaragoza Zaragoza 50009 España Research Laboratory on Optimal Design Devices and Advanced Materials -OPTIMA- Department of Mathematics and Physics ITESO Jalisco 45604 México Multi-agent autonomous systems lab Intel Labs Intel Tecnología de México Jalisco 45019 Mexico Tecnologico de Monterrey Escuela de Ingeniería y Ciencias Jalisco 45138 Mexico Department of Electrical Engineering Cinvestav-Guadalajara Jalisco 45019 México

As the main contribution, this document provides a consistent discretization of a class of fixed-time stable systems, namely predefined-time stable systems. In the unperturbed case, the proposed approach allows obtaining not only a consistent but exact discretization of the considered class of predefined-time stable systems, whereas in the perturbed case, the consistent discretization preserves the predefined-time stability property. All the results are validated through simulations and compared with the conventional explicit Euler scheme, highlighting the advantages of this proposal.

关键词： Predefined-time stability Discrete-time systems Digital implementation Stability of nonlinear systems Fixed-time stability

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The Quantum Internet (Technical Version)

arXiv

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arXiv 2025年

作者： Rohde, Peter P. Huang, Zixin Ouyang, Yingkai Huang, He-Liang Su, Zu-En Devitt, Simon Ramakrishnan, Rohit Mantri, Atul Tan, Si-Hui Liu, Nana Harrison, Scott Radhakrishnan, Chandrashekar Brennen, Gavin K. Baragiola, Ben Q. Dowling, Jonathan P. Byrnes, Tim Munro, William J. Centre for Quantum Software and Information Faculty of Engineering and Information Technology University of Technology Sydney SydneyNSW Australia Hearne Institute for Theoretical Physics Louisiana State University Baton Rouge United States School of Mathematical and Physical Sciences Macquarie University NSW2109 Australia School of Mathematical and Physical Sciences University of Sheffield SheffieldS3 7RH United Kingdom Henan Key Laboratory of Quantum Information and Cryptography Henan Zhengzhou450000 China Hefei National Laboratory for Physical Sciences at Microscale Department of Modern Physics University of Science & Technology of China Hefei China CAS Centre for Excellence and Synergetic Innovation Centre in Quantum Information & Quantum Physics University of Science & Technology of China Hefei China CAS-Alibaba Quantum Computing Laboratory Shanghai China InstituteQ Aalto University Espoo02150 Finland Indian Institute of Science Bangalore India Singapore University of Technology & Design Singapore Centre for Quantum Technologies National University of Singapore Singapore Horizon Quantum Ireland 24 Fitzwilliam Place Dublin 2 D02 T296 Ireland Institute of Natural Sciences Shanghai Jiao Tong University Shanghai200240 China School of Mathematical Sciences Shanghai Jiao Tong University Shanghai200240 China Ministry of Education Key Laboratory in Scientific and Engineering Computing Shanghai Jiao Tong University Shanghai200240 China Shanghai Artificial Intelligence Laboratory Shanghai China University of Michigan Shanghai Jiao Tong University Joint Institute Shanghai200240 China Leibniz Institute for Research & Information in Education Frankfurt am Main Germany Department of Computer Science and Engineering NYU Shanghai 567 West Yangsi Road Shanghai200124 China Centre of Excellence in Engineered Quantum Systems Macquarie University NSW Australia Centre for Quantum Computation and Communication Technology School of Science RMIT University VIC

The desire to share and unite remote digital assets motivated the development of the classical internet, the enabler of the entire 21st century economy and our modern way of life. As we enter the quantum era, it is to be expected there will be a similar demand for networking quantum assets, motivating a global quantum internet for bringing together the world's quantum resources, leveraging off their exponential trajectory in capability. We present models for quantum networking, how they might be applied in the future, and the implications they will have. Socially, economically, politically and geostrategically, the upcoming era of quantum supremacy will be as significant for the 21st century as the transistor was for the 20th. The inherently different scaling in the computational power of quantum computers fundamentally changes the dynamics of how they will operate in the future. Given their high expected initial cost, a client/server model for outsourcing computation will be essential for enabling the accessibility and proliferation of this technology, and ensuring its economic viability. We therefore anticipate the emergence of cloud quantum computing, a model for outsourcing quantum computations to the network. We argue that economic efficiency will mandate that all future quantum computers be united into a single global virtual quantum computer, offering exponentially more power to all network participants than if they were to keep their resources to themselves. This model for the allocation of computational resources is uniquely quantum, with no classical analogue, completely altering the economic landscape for the future of computation. Given the sensitivity of much of the data to which future quantum computers are going to foreseeably be applied, protocols for encrypted quantum computation will be essential - the outsourcing of computations that neither an eavesdropper nor even the server performing the computation can spy upon. This will enable new models fo

关键词： Outsourcing

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Solving Lur'e equations through zeroing neural networks

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Information sciences 2025年 718卷

作者： Yu He Xiaojuan Wang Yafei Tie Huanqi Yang Theodore E. Simos Spyridon D. Mourtas Vasilios N. Katsikis School of Computer Science and Artificial Intelligence Huanghuai University Zhumadian 463000 China Henan International Joint Laboratory of Behavior Optimization Control for Smart Robots Henan 463000 China Henan Key Laboratory of Smart Lighting Zhumadian 46300 China Hangzhou Dianzi University School of Mechanical Engineering Er Hao Da Jie 1158 Xiasha Hangzhou 310018 China Center for Applied Mathematics and Bioinformatics Gulf University for Science and Technology West Mishref 32093 Kuwait Section of Mathematics Dept. of Civil Engineering Democritus Univ. of Thrace Xanthi 67100 Greece Department of Economics Division of Mathematics-Informatics and Statistics-Econometrics National and Kapodistrian University of Athens Sofokleous 1 Street 10559 Athens Greece Laboratory “Hybrid Methods of Modelling and Optimization in Complex Systems” Siberian Federal University Prosp. Svobodny 79 660041 Krasnoyarsk Russia

Solving Lur'e equations plays a critical role in addressing linear-quadratic optimal control (LQOC) problems, especially in cases where the control cost matrices are singular. This paper introduces, for the first time, two novel zeroing neural network (ZNN) models—ZNNLE and ZNNLE-LQOC—specifically designed to solve the Lur'e equation system and the LQOC problem, respectively. The proposed models extend the applicability of the ZNN methodology to these challenging scenarios by offering robust and efficient solutions to time-varying matrix equations. Theoretical analyses confirm the validity of both models, while numerical simulations and practical applications demonstrate their effectiveness. Moreover, a comparative study with an enhanced alternating-direction implicit (ADI) method highlights the superior performance of the ZNNLE-LQOC model in solving LQOC problems.

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Perspectives for self-driving labs in synthetic biology

arXiv

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arXiv 2022年

作者： Martin, Hector Garcia Radivojevic, Tijana Zucker, Jeremy Bouchard, Kristofer Sustarich, Jess Peisert, Sean Arnold, Dan Hillson, Nathan Babnigg, Gyorgy Marti, Jose Manuel Mungall, Christopher J. Beckham, Gregg T. Waldburger, Lucas Carothers, James Sundaram, ShivShankar Agarwal, Deb Simmons, Blake A. Backman, Tyler Banerjee, Deepanwita Tanjore, Deepti Ramakrishnan, Lavanya Singh, Anup Lawrence Berkeley National Laboratory Biological Systems and Engineering Division BerkeleyCA United States Department of Energy Agile BioFoundry EmeryvilleCA United States Joint BioEnergy Institute EmeryvilleCA United States BCAM Basque Center for Applied Mathematics Bilbao Spain Lawrence Berkeley National Laboratory Scientific Data Division BerkeleyCA United States Helen Wills Neuroscience Institute Redwood Center for Theoretical Neuroscience BerkeleyCA United States Lawrence Berkeley National Laboratory Energy Storage and Distributed Resources Division BerkeleyCA United States University of California Davis Department of Computer Science DavisCA United States Global Security Computing Applications Division Lawrence Livermore National Laboratory LivermoreCA United States Engineering Directorate Lawrence Livermore National Laboratory LivermoreCA United States Center for Bioengineering Lawrence Livermore National Laboratory LivermoreCA United States Department of Chemical Engineering Molecular Engineering & Sciences Institute Center for Synthetic Biology University of Washington SeattleWA United States Biosciences Division Argonne National Laboratory ArgonneIL United States Advanced Biofuels and Bioproducts Process Development Unit Lawrence Berkeley National Laboratory BerkeleyCA United States Biomaterials and Biomanufacturing Division Sandia National Laboratories LivermoreCA United States Earth and Biological Sciences Division Pacific Northwest National Laboratories RichlandWA United States Resources and Enabling Sciences Center National Renewable Energy Laboratory GoldenCO80401 United States Department of Bioengineering University of California BerkeleyCA United States

Self-driving labs (SDLs) combine fully automated experiments with artificial intelligence (AI) that decides the next set of experiments. Taken to their ultimate expression, SDLs could usher a new paradigm of scientific research, where the world is probed, interpreted, and explained by machines for human benefit. While there are functioning SDLs in the fields of chemistry and materials science, we contend that synthetic biology provides a unique opportunity since the genome provides a single target for affecting the incredibly wide repertoire of biological cell behavior. However, the level of investment required for the creation of biological SDLs is only warranted if directed towards solving difficult and enabling biological questions. Here, we discuss challenges and opportunities in creating SDLs for synthetic biology. © 2022, CC BY.

关键词： Synthetic biology

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Why is the Winner the Best?

Why is the Winner the Best?

引用

Conference on computer Vision and Pattern Recognition (CVPR)

作者： M. Eisenmann A. Reinke V. Weru M. D. Tizabi F. Isensee T. J. Adler S. Ali V. Andrearczyk M. Aubreville U. Baid S. Bakas N. Balu S. Bano J. Bernal S. Bodenstedt A. Casella V. Cheplygina M. Daum M. De Bruijne A. Depeursinge R. Dorent J. Egger D. G. Ellis S. Engelhardt M. Ganz N. Ghatwary G. Girard P. Godau A. Gupta L. Hansen K. Harada M. Heinrich N. Heller A. Hering A. Huaulmé P. Jannin A. E. Kavur O. Kodym M. Kozubek J. Li H. Li J. Ma C. Martín-Isla B. Menze A. Noble V. Oreiller N. Padoy S. Pati K. Payette T. Rädsch J. Rafael-Patiño V. Singh Bawa S. Speidel C. H. Sudre K. Van Wijnen M. Wagner D. Wei A. Yamlahi M. H. Yap C. Yuan M. Zenk A. Zia D. Zimmerer D. Aydogan B. Bhattarai L. Bloch R. Brüngel J. Cho C. Choi Q. Dou I. Ezhov C. M. Friedrich C. Fuller R. R. Gaire A. Galdran Á. García Faura M. Grammatikopoulou S. Hong M. Jahanifar I. Jang A. Kadkhodamohammadi I. Kang F. Kofler S. Kondo H. Kuijf M. Li M. Luu T. Martinčič P. Morais M. A. Naser B. Oliveira D. Owen S. Pang J. Park S. Park S. Płotka E. Puybareau N. Rajpoot K. Ryu N. Saeed A. Shephard P. Shi D. Štepec R. Subedi G. Tochon H. R. Torres H. Urien J. L. Vilaça K. A. Wahid H. Wang J. Wang L. Wang X. Wang B. Wiestler M. Wodzinski F. Xia J. Xie Z. Xiong S. Yang Y. Yang Z. Zhao K. Maier-Hein P. F. Jäger A. Kopp-Schneider L. Maier-Hein Division of Intelligent Medical Systems German Cancer Research Center (DKFZ) Heidelberg Germany Helmholtz Imaging German Cancer Research Center (DKFZ) Heidelberg Germany Faculty of Mathematics and Computer Science Heidelberg University Heidelberg Germany Division of Biostatistics German Cancer Research Center (DKFZ) Heidelberg Germany Division of Medical Image Computing German Cancer Research Center (DKFZ) Heidelberg Germany Faculty of Engineering and Physical Sciences School of Computing University of Leeds Leeds UK Institute of Informatics School of Management HES-SO Valais-Wallis University of Applied Sciences and Arts Western Switzerland Sierre Switzerland Department of Nuclear Medicine and Molecular Imaging Lausanne University Hospital Lausanne Switzerland Technische Hochschule Ingolstadt Ingolstadt Germany Center for Artificial Intelligence and Data Science for Integrated Diagnostics (AI2D) and Center for Biomedical Image Computing and Analytics (CBICA) University of Pennsylvania Philadelphia PA USA Department of Pathology and Laboratory Medicine Perelman School of Medicine University of Pennsylvania Philadelphia PA USA Department of Radiology Perelman School of Medicine University of Pennsylvania Philadelphia PA USA Department of Radiology University of Washington Seattle WA USA Department of Computer Science Wellcome/EPSRC Centre for Interventional and Surgical Sciences (WEISS) University College London London UK Universitat Autònoma de Barcelona & Computer Vision Center Barcelona Spain Division of Translational Surgical Oncology National Center for Tumor Diseases (NCT/UCC) Dresden Dresden Germany Department of Advanced Robotics Istituto Italiano di Tecnologia Italy Department of Electronics Information and Bioengineering Politecnico di Milano Milan Italy IT University of Copenhagen Copenhagen Denmark Department of General Visceral and Transplantation Surgery Heidelberg University Hospital Heidelberg Germany Department of Radiology and Nuc

International benchmarking competitions have become fundamental for the comparative performance assessment of image analysis methods. However, little attention has been given to investigating what can be learnt from these competitions. Do they really generate scientific progress? What are common and successful participation strategies? What makes a solution superior to a competing method? To address this gap in the literature, we performed a multicenter study with all 80 competitions that were conducted in the scope of IEEE ISBI 2021 and MICCAI 2021. Statistical analyses performed based on comprehensive descriptions of the submitted algorithms linked to their rank as well as the underlying participation strategies revealed common characteristics of winning solutions. These typically include the use of multi-task learning (63%) and/or multi-stage pipelines (61%), and a focus on augmentation (100%), image preprocessing (97%), data curation (79%), and post-processing (66%). The “typical” lead of a winning team is a computer scientist with a doctoral degree, five years of experience in biomedical image analysis, and four years of experience in deep learning. Two core general development strategies stood out for highly-ranked teams: the reflection of the metrics in the method design and the focus on analyzing and handling failure cases. According to the organizers, 43% of the winning algorithms exceeded the state of the art but only 11% completely solved the respective domain problem. The insights of our study could help researchers (1) improve algorithm development strategies when approaching new problems, and (2) focus on open research questions revealed by this work.

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Hyperspectral image denoising and anomaly detection based on low-rank and sparse representations

arXiv

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arXiv 2021年

作者： Zhuang, Lina Gao, Lianru Zhang, Bing Fu, Xiyou Bioucas-Dias, José M. Department of Mathematics Hong Kong BaptistUniversity Hong Kong Hong Kong Key Laboratory of Digital Earth Science Aerospace Information Research Institute Chinese Academy of Sciences Beijing100094 China College of Resources and Environment University of Chinese Academy of Sciences Beijing100049 China Shenzhen University Shenzhen518060 China College of Computer Science and Software Engineering Shenzhen University Shenzhen518060 China Instituto de Telecomunicações Instituto Superior Técnico Universidade de Lisboa Lisbon1049-001 Portugal

Hyperspectral imaging measures the amount of electromagnetic energy across the instantaneous field of view at a very high resolution in hundreds or thousands of spectral channels. This enables objects to be detected and the identification of materials that have subtle differences between them. However, the increase in spectral resolution often means that there is a decrease in the number of photons received in each channel, which means that the noise linked to the image formation process is greater. This degradation limits the quality of the extracted information and its potential applications. Thus, denoising is a fundamental problem in hyperspectral image (HSI) processing. As images of natural scenes with highly correlated spectral channels, HSIs are characterized by a high level of self-similarity and can be well approximated by low-rank representations. These characteristics underlie the state-of-the-art methods used in HSI denoising. However, where there are rarely occurring pixel types, the denoising performance of these methods is not optimal, and the subsequent detection of these pixels may be compromised. To address these hurdles, in this paper, we introduce RhyDe (Robust hyperspectral Denoising), a powerful HSI denoiser, which implements explicit low-rank representation, promotes self-similarity, and, by using a form of collaborative sparsity, preserves rare pixels. The denoising and detection effectiveness of the proposed robust HSI denoiser is illustrated using semi-real and real data. A MATLAB demo of this work is available at https://***/LinaZhuang for the sake of reproducibility. Copyright © 2021, The Authors. All rights reserved.

关键词： Anomaly detection

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A Review of Artificial Fish Swarm Algorithms: Recent Advances and Applications

arXiv

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arXiv 2020年

作者： Pourpanah, Farhad Wang, Ran Lim, Chee Peng Wang, Xi-Zhao Yazdani, Danial College of Mathematics and Statistics Guangdong Key Lab. of Intelligent Information Processing Shenzhen University China Department of Electrical and Computer Engineering University of Windsor Canada College of Mathematics and Statistics Shenzhen Key Lab. of Advanced Machine Learning and Applications Guangdong Key Lab. of Intelligent Information Processing Shenzhen University China Institute for Intelligent Systems Research and Innovation Deakin University Australia College of Computer Science and Software Engineering Guangdong Key Lab. of Intelligent Information Processing Shenzhen University China School of Computer Science and Engineering Southern University of Science and Technology China

The Artificial Fish Swarm Algorithm (AFSA) is inspired by the ecological behaviors of fish schooling in nature, viz., the preying, swarming and following behaviors. Owing to a number of salient properties, which include flexibility, fast convergence, and insensitivity to the initial parameter settings, the family of AFSA has emerged as an effective Swarm Intelligence (SI) methodology that has been widely applied to solve real-world optimization problems. Since its introduction in 2002, many improved and hybrid AFSA models have been developed to tackle continuous, binary, and combinatorial optimization problems. This paper aims to present a concise review of the continuous AFSA, encompassing the original ASFA, its improvements and hybrid models, as well as their associated applications. We focus on articles published in high-quality journals since 2013. Our review provides insights into AFSA parameters modifications, procedure and sub-functions. The main reasons for these enhancements and the comparison results with other hybrid methods are discussed. In addition, hybrid, multi-objective and dynamic AFSA models that have been proposed to solve continuous optimization problems are elucidated. We also analyse possible AFSA enhancements and highlight future research directions for advancing AFSA-based models. Copyright © 2020, The Authors. All rights reserved.

关键词： Multiobjective optimization

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

arXiv

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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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Molecular communications in viral infections research: Modelling, experimental data and future directions

arXiv

引用

arXiv 2020年

作者： Barros, Michael Taynnan Veletić, Mladen Kanada, Masamitsu Pierobon, Massimiliano Vainio, Seppo Balasingham, Ilangko Balasubramaniam, Sasitharan School of Computer Science and Electronic Engineering University of Essex Colchester United Kingdom CBIG/BioMediTech Tampere University Tampere Finland Intervention Centre Oslo University Hospital Oslo Norway Department of Electronic Systems Norwegian University of Science and Technology Trondheim Norway Institute for Quantitative Health Science and Engineering Michigan State University East LansingMI United States Department of Computer Science and Engineering University of Nebraska-Lincoln LincolnNE United States Biocenter Oulu Laboratory of Developmental Biology Oulu University Oulu Finland Telecommunications Software and Systems Group Waterford Institute of Technology Waterford City Ireland

Hundreds of millions of people worldwide are affected by viral infections each year, and yet, several of them neither have vaccines nor effective treatment during and post-infection. This challenge has been highlighted by the COVID-19 pandemic, showing how viruses can quickly spread and how they can impact society as a whole. Novel techniques that bring in different disciplines must emerge to provide forward-looking strategies to combat viral infections, as well as possible future pandemics. In the past decade, an interdisciplinary area involving bioengineering, nanotechnology and information and communication technology (ICT) has been developing, known as Molecular Communications. This new emerging area uses elements of classical communication systems, and maps it to molecular signalling and communication found inside and outside the body, where the aim is to develop new tools that can serve future medicine. One of these tools is the ability to characterise the signalling processes between cells and infectious disease locations at various levels of the human body. In this paper, we provide an extensive and detailed discussion on how Molecular Communications can be integrated into the research on viral infectious diseases modelling, and how possible treatment and vaccines can be developed considering molecules as information carriers. We provide a literature review on the existing models of Molecular Communications for viral infection (in-body and out-body), a deep analysis on their effects on the host and subsequent communication process for other systems within the body (e.g., immune response), sources of experimental data on known viral infections and how it can be used by the Molecular Communications community, as well as open issues and future directions. Since the development of therapeutics/vaccines needs an interdisciplinary approach centred around ICT, we are confident that Molecular Communications can play a central role here by providing a detail characte

关键词： Diseases

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