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TechRxiv 2023年

作者： Du, Hongyang Li, Zonghang Niyato, Dusit Kang, Jiawen Xiong, Zehui Huang, Huawei Mao, Shiwen School of Computer Science and Engineering The Energy Research Institute @ NTU Interdisciplinary Graduate Program Nanyang Technological University Singapore School of Information and Communication Engineering University of Electronic Sciences and Technology of China Chengdu China School of Automation Guangdong University of Technology China Pillar of Information Systems Technology and Design Singapore University of Technology and Design Singapore School of Software Engineering Sun Yat-Sen University Zhuhai China Department of Electrical and Computer Engineering Auburn University Auburn United States

As Metaverse emerges as the next-generation Internet paradigm, the ability to efficiently generate content is paramount. ai-Generated Content (aiGC) emerges as a key solution, yet the resource-intensive nature of large Generative ai (Gai) models presents challenges. To address this issue, we introduce an aiGC-as-a-Service (AaaS) architecture, which deploys aiGC models in wireless edge networks to ensure broad aiGC services accessibility for Metaverse users. Nonetheless, an important aspect of providing personalized user experiences requires carefully selecting aiGC Service Providers (ASPs) capable of effectively executing user tasks, which is complicated by environmental uncertainty and variability. Addressing this gap in current research, we introduce the ai-Generated Optimal Decision (AGOD) algorithm, a diffusion model-based approach for generating the optimal ASP selection decisions. Integrating AGOD with Deep Reinforcement Learning (DRL), we develop the Deep Diffusion Soft Actor-Critic (D2SAC) algorithm, enhancing the efficiency and effectiveness of ASP selection. Our comprehensive experiments demonstrate that D2SAC outperforms seven leading DRL algorithms. Furthermore, the proposed AGOD algorithm has the potential for extension to various optimization problems in wireless networks, positioning it as a promising approach for future research on aiGC-driven services. The implementation of our proposed method is available at: https://***/Lizonghang/AGOD. © 2023, CC BY.

关键词： Reinforcement learning

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Diffusion-based Reinforcement Learning for Edge-enabled ai-Generated Content Services

arXiv

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arXiv 2023年

作者： Du, Hongyang Li, Zonghang Niyato, Dusit Kang, Jiawen Xiong, Zehui Huang, Huawei Mao, Shiwen The School of Computer Science and Engineering The Energy Research Institute @ NTU Interdisciplinary Graduate Program Nanyang Technological University Singapore The School of Information and Communication Engineering University of Electronic Sciences and Technology of China Chengdu China The School of Automation Guangdong University of Technology China The Pillar of Information Systems Technology and Design Singapore University of Technology and Design Singapore The School of Software Engineering Sun Yat-Sen University Zhuhai China The Department of Electrical and Computer Engineering Auburn University Auburn United States

关键词： Reinforcement learning

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

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NATURE MEDICINE 2024年第2期30卷 358-359页

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

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

关键词： Diabetes complications Machine learning Predictive markers

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Mass Spectra Prediction with Structural Motif-based Graph Neural Networks

arXiv

引用

arXiv 2023年

作者： Park, Jiwon Jo, Jeonghee Yoon, Sungroh Interdisciplinary Program in Artificial Intelligence Seoul National University Seoul08826 Korea Republic of LG Chem Seoul07795 Korea Republic of Seoul02456 Korea Republic of Department of Electrical and Computer Engineering Seoul National University Seoul08826 Korea Republic of Artificial Intelligence Institute Seoul National University Seoul08826 Korea Republic of

Mass spectra, which are agglomerations of ionized fragments from targeted molecules, play a crucial role across various fields for the identification of molecular structures. A prevalent analysis method involves spectral library searches, where unknown spectra are cross-referenced with a database. The effectiveness of such search-based approaches, however, is restricted by the scope of the existing mass spectra database, underscoring the need to expand the database via mass spectra prediction. In this research, we propose the Motif-based Mass Spectrum Prediction Network (MoMS-Net), a system that predicts mass spectra using the information derived from structural motifs and the implementation of Graph Neural Networks (GNNs). We have tested our model across diverse mass spectra and have observed its superiority over other existing models. MoMS-Net considers substructure at the graph level, which facilitates the incorporation of long-range dependencies while using less memory compared to the graph transformer model. © 2023, CC BY.

关键词： Molecules

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Energy-efficient knowledge distillation for spiking Neural Networks

arXiv

引用

arXiv 2021年

作者： Lee, Dongjin Park, Seongsik Kim, Jongwan Doh, Wuhyeong Yoon, Sungroh Department of Electrical and Computer Engineering Institute of New Media and Communications Interdisciplinary Program in Artificial Intelligence Automation and Systems Research Institute Seoul National University Korea Republic of

Spiking neural networks (SNNs) have been gaining interest as energy-efficient alternatives of conventional artificial neural networks (ANNs) due to their event-driven computation. Considering the future deployment of SNN models to constrained neuromorphic devices, many studies have applied techniques originally used for ANN model compression, such as network quantization, pruning, and knowledge distillation, to SNNs. Among them, existing works on knowledge distillation reported accuracy improvements of student SNN model. However, analysis on energy efficiency, which is also an important feature of SNN, was absent. In this paper, we thoroughly analyze the performance of the distilled SNN model in terms of accuracy and energy efficiency. In the process, we observe a substantial increase in the number of spikes, leading to energy inefficiency, when using the conventional knowledge distillation methods. Based on this analysis, to achieve energy efficiency, we propose a novel knowledge distillation method with heterogeneous temperature parameters. We evaluate our method on two different datasets and show that the resulting SNN student satisfies both accuracy improvement and reduction of the number of spikes. On MNIST dataset, our proposed student SNN achieves up to 0.09% higher accuracy and produces 65% less spikes compared to the student SNN trained with conventional knowledge distillation method. We also compare the results with other SNN compression techniques and training methods. © 2021, CC BY.

关键词： Energy efficiency

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DPA-2:a large atomic model as a multitask learner

引用

npj Computational Materials 2024年第1期10卷 185-199页

作者： Duo Zhang Xinzijian Liu Xiangyu Zhang Chengqian Zhang Chun Cai Hangrui Bi Yiming Du Xuejian Qin Anyang Peng Jiameng Huang Bowen Li Yifan Shan Jinzhe Zeng Yuzhi Zhang Siyuan Liu Yifan Li Junhan Chang Xinyan Wang Shuo Zhou Jianchuan Liu Xiaoshan Luo Zhenyu Wang Wanrun Jiang Jing Wu Yudi Yang Jiyuan Yang Manyi Yang Fu-Qiang Gong Linshuang Zhang Mengchao Shi Fu-Zhi Dai Darrin M.York Shi Liu Tong Zhu Zhicheng Zhong Jian Lv Jun Cheng Weile Jia Mohan Chen Guolin Ke Weinan E Linfeng Zhang Han Wang AI for Science Institute BeijingP.R.China DP Technology BeijingP.R.China Academy for Advanced Interdisciplinary Studies Peking UniversityBeijingP.R.China State Key Lab of Processors Institute of Computing TechnologyChinese Academy of SciencesBeijingP.R.China University of Chinese Academy of Sciences BeijingP.R.China HEDPS CAPTCollege of EngineeringPeking UniversityBeijingP.R.China Ningbo Institute of Materials Technology and Engineering Chinese Academy of SciencesNingboP.R.China CAS Key Laboratory of Magnetic Materials and Devices and Zhejiang Province Key Laboratory of Magnetic Materials and Application Technology Chinese Academy of SciencesNingboP.R.China School of Electronics Engineering and Computer Science Peking UniversityBeijingP.R.China Shanghai Engineering Research Center of Molecular Therapeutics&New Drug Development School of Chemistry and Molecular EngineeringEast China Normal UniversityShanghaiP.R.China Laboratory for Biomolecular Simulation Research Institute for Quantitative Biomedicine and Department of Chemistry and Chemical BiologyRutgers UniversityPiscatawayNJUSA Department of Chemistry Princeton UniversityPrincetonNJUSA College of Chemistry and Molecular Engineering Peking UniversityBeijingP.R.China Yuanpei College Peking UniversityBeijingP.R.China School of Electrical Engineering and Electronic Information Xihua UniversityChengduP.R.China State Key Laboratory of Superhard Materials College of PhysicsJilin UniversityChangchunP.R.China Key Laboratory of Material Simulation Methods&Software of Ministry of Education College of PhysicsJilin UniversityChangchunP.R.China International Center of Future Science Jilin UniversityChangchunP.R.China Key Laboratory for Quantum Materialsof Zhejiang Province Department of PhysicsSchool of ScienceWestlake UniversityHangzhouP.R.China Atomistic Simulations Italian Institute of TechnologyGenovaItaly State Key Laboratory of Physical Chemistry of Solid Surface iChEMCollege of Chemistry and Chemical EngineeringXiame

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

关键词： DPA establishing thereby

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Flexible dual-branched message passing neural network for quantum mechanical property prediction with molecular conformation

arXiv

引用

arXiv 2021年

作者： Jo, Jeonghee Kwak, Bumju Lee, Byunghan Yoon, Sungroh Interdisciplinary Program in Bioinformatics Seoul National University Recommendation Team Kakao Corporation Department of Electronic and IT Media Engineering Seoul National University of Science and Technology Department of Electrical and Computer Engineering Seoul National University

A molecule is a complex of heterogeneous components, and the spatial arrangements of these components determine the whole molecular properties and characteristics. With the advent of deep learning in computational chemistry, several studies have focused on how to predict molecular properties based on molecular configurations. Message passing neural network provides an effective framework for capturing molecular geometric features with the perspective of a molecule as a graph. However, most of these studies assumed that all heterogeneous molecular features, such as atomic charge, bond length, or other geometric features always contribute equivalently to the target prediction, regardless of the task type. In this study, we propose a dual-branched neural network for molecular property prediction based on message-passing framework. Our model learns heterogeneous molecular features with different scales, which are trained flexibly according to each prediction target. In addition, we introduce a discrete branch to learn single atom features without local aggregation, apart from message-passing steps. We verify that this novel structure can improve the model performance with faster convergence in most targets. The proposed model outperforms other recent models with sparser representations. Our experimental results indicate that in the chemical property prediction tasks, the diverse chemical nature of targets should be carefully considered for both model performance and generalizability. © 2021, CC BY.

关键词： Deep learning

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Instruction Multi-Constraint Molecular Generation Using a Teacher-Student Large Language Model

arXiv

引用

arXiv 2024年

作者： Zhou, Peng Wang, Jianmin Li, Chunyan Wang, Zixu Liu, Yiping Sun, Siqi Lin, Jianxin Wei, Leyi Cai, Xibao Lai, Houtim Liu, Wei Wang, Longyue Liu, Yuansheng Zeng, Xiangxiang College of Information Science and Engineering Hunan University Changsha China The Interdisciplinary Graduate Program in Integrative Biotechnology Yonsei University Incheon21983 Korea Republic of School of Informatics Yunnan Normal University Kunming650500 China Department of Computer Science University of Tsukuba Tsukuba3058577 Japan Research Institute of Intelligent Complex Systems Fudan University Shanghai200433 China Shanghai AI Laboratory Shanghai200232 China Centre for Artificial Intelligence driven Drug Discovery Faculty of Applied Science Macao Polytechnic University China School of Informatics Xiamen University Xiamen China Tencent AI Lab China

While various models and computational tools have been proposed for structure and property analysis of molecules, generating molecules that conform to all desired structures and properties remains a challenge. Here, we introduce a multi-constraint molecular generation large language model, TSMMG, which, akin to a student, incorporates knowledge from various small models and tools, namely, the 'teachers'. To train TSMMG, we construct a large set of text-molecule pairs by extracting molecular knowledge from these 'teachers', enabling it to generate novel molecules that conform to the descriptions through various text prompts. We experimentally show that TSMMG remarkably performs in generating molecules meeting complex, natural language-described property requirements across two-, three-, and four-constraint tasks, with an average molecular validity of over 99% and success ratio of 82.58%, 68.03%, and 67.48%, respectively. The model also exhibits adaptability through zero-shot testing, creating molecules that satisfy combinations of properties that have not been encountered. It can comprehend text inputs with various language styles, extending beyond the confines of outlined prompts, as confirmed through empirical validation. Additionally, the knowledge distillation feature of TSMMG contributes to the continuous enhancement of small models, while the innovative approach to dataset construction effectively addresses the issues of data scarcity and quality, which positions TSMMG as a promising tool in the domains of drug discovery and materials science. Copyright © 2024, The Authors. All rights reserved.

关键词： Students

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Photonic Metacrystal: Design and Experimental Results

Photonic Metacrystal: Design and Experimental Results

引用

Conference on Lasers and Electro-Optics (CLEO)

作者： S. Hu M. Khater E. Kratschmer S. Engelmann K. P. Arnold W. M. J. Green S. M. Weiss Department of Electrical and Computer Engineering Vanderbilt University Nashville Tennessee USA IBM T J Watson Center Yorktown Heights New York USA INanoBio Inc Menlo Park CA USA Interdisciplinary Materials Science Program Vanderbilt University Nashville Tennessee USA

Going beyond the limited design freedoms of traditional photonic crystals, we experimentally show how photonic metacrystals exploit the inclusion of subwavelength dielectric scatterers in the unit cell to deterministi... 详细信息

ISBN: (数字)9781957171050

ISBN: (纸本)9781665466660

关键词： Band structures Optical design Photonic crystals Aerospace electronics Laser modes Metamaterials Dielectrics

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ai-Enabled CT Cardiac Chamber Volumetry Predicts Atrial Fibrillation and Stroke Comparable to MRI

引用

JACC: Advances 2024年第11期3卷 101300-101300页

作者： Naghavi, Morteza Reeves, Anthony P. Atlas, Kyle C. Zhang, Chenyu Li, Dong Atlas, Thomas Henschke, Claudia I. Wong, Nathan D. Roy, Sion K. Budoff, Matthew J. Yankelevitz, David F. HeartLung.AI Houston TX United States Department of Electrical and Computer Engineering Cornell University NY United States Division of Cardiology The Lundquist Institute Torrance CA United States Department of Radiology Tustin Teleradiology Tustin CA United States Department of Radiology Mount Sinai Hospital New York NY United States Heart Disease Prevention Program Division of Cardiology University of California Irvine CA United States

Background: ai-CAC provides more actionable information than the Agatston coronary artery calcium (CAC) score. We have recently shown in the MESA (Multi-Ethnic Study of Atherosclerosis) that ai-CAC automated left atrial (LA) volumetry enabled prediction of atrial fibrillation (AF) as early as 1 year. Objectives: In this study, the authors evaluated the performance of ai-CAC LA volumetry versus LA measured by human experts using cardiac magnetic resonance imaging (CMRI) for predicting incident AF and stroke and compared them with Cohorts for Heart and Aging Research in Genomic Epidemiology model for atrial fibrillation (CHARGE-AF) risk score, Agatston score, and N-terminal pro b-type natriuretic peptide (NT-proBNP). Methods: We used 15-year outcomes data from 3,552 asymptomatic individuals (52.2% women, age 61.7 ± 10.2 years) who underwent both CAC scans and CMRI in the MESA baseline examination. CMRI LA volume was previously measured by human experts. Data on NT-proBNP, CHARGE-AF risk score, and the Agatston score were obtained from MESA. Discrimination was assessed using the time-dependent area under the curve. Results: Over 15 years follow-up, 562 cases of AF and 140 cases of stroke accrued. The area under the curve for ai-CAC versus CMRI volumetry for AF (0.802 vs 0.798) and stroke (0.762 vs 0.751) were not significantly different. ai-CAC LA significantly improved the continuous net reclassification index for prediction of 5-year AF when added to CHARGE-AF risk score (0.23), NT-proBNP (0.37, 0.37), and Agatston score (0.44) (P for all <0.0001). Conclusions: ai-CAC automated LA volumetry and CMRI LA volume measured by human experts similarly predicted incident AF and stroke over 15 years. Further studies to investigate the clinical utility of ai-CAC for AF and stroke prediction are warranted. © 2024 The Authors

关键词： artificial intelligence atrial fibrillation cardiac magnetic resonance imaging coronary artery calcium left atrial volume stroke

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