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arXiv 2023年

作者： Heinen, Stefan Khan, Danish von Rudorff, Guido Falk Karandashev, Konstantin Arrieta, Daniel Jose Arismendi Price, Alastair J.A. Nandi, Surajit Bhowmik, Arghya Hermansson, Kersti Anatole von Lilienfeld, O. Vector Institute for Artificial Intelligence TorontoONM5S 1M1 Canada Department of Chemistry University of Toronto St. George Campus TorontoON Canada University Kassel Department of Chemistry Heinrich-Plett-Str.40 Kassel34132 Germany Heinrich-Plett-Straße 40 Kassel34132 Germany University of Vienna Faculty of Physics Kolingasse 14-16 WienAT-1090 Austria Department of Chemistry-Ångström Laboratory Uppsala University Box 538 UppsalaSE-75121 Sweden Acceleration Consortium University of Toronto 80 St George St TorontoONM5S 3H6 Canada Departments of Chemistry University of Toronto St. George Campus TorontoON Canada Department of Energy Conversion and Storage DTU Anker Engelunds Vej Kgs. LyngbyDK-2800 Denmark Department of Materials Science and Engineering University of Toronto St. George campus TorontoON Canada Department of Physics University of Toronto St. George campus TorontoON Canada Machine Learning Group Technische Universität Berlin Berlin Institute for the Foundations of Learning and Data Berlin Germany

For many machine learning applications in science, data acquisition, not training, is the bottleneck even when avoiding experiments and relying on computation and simulation. Correspondingly, and in order to reduce cost and carbon footprint, training data efficiency is key. We introduce minimal multilevel machine learning (M3L) which optimizes training data set sizes using a loss function at multiple levels of reference data in order to minimize a combination of prediction error with overall training data acquisition costs (as measured by computational wall-times). Numerical evidence has been obtained for calculated atomization energies and electron affinities of thousands of organic molecules at various levels of theory including HF, MP2, DLPNO-CCSD(T), DFHFCABS, PNOMP2F12, and PNOCCSD(T)F12, and treating tens with basis sets TZ, cc-pVTZ, and AVTZF12. Our M3L benchmarks for reaching chemical accuracy in distinct chemical compound sub-spaces indicate substantial computational cost reductions by factors of ∼ 1.01, 1.1, 3.8, 13.8 and 25.8 when compared to heuristic sub-optimal multilevel machine learning (M2L) for the data sets QM7b, QM9LCCSD(T), EGP, QM9CCSD(T)AE , and QM9CCSD(T)EA , respectively. Furthermore, we use M2L to investigate the performance for 76 density functionals when used within multilevel learning and building on the following levels drawn from the hierarchy of Jacobs Ladder: LDA, GGA, mGGA, and hybrid functionals. Within M2L and the molecules considered, mGGAs do not provide any noticeable advantage over GGAs. Among the functionals considered and in combination with LDA, the three on average top performing GGA and Hybrid levels for atomization energies on QM9 using M3L correspond respectively to PW91, KT2, B97D, and τ-HCTH, B3LYP∗(VWN5), TPSSH. © 2023, CC0.

关键词： Carbon footprint

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Depth selection for deep ReLU nets in feature extraction and generalization

arXiv

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arXiv 2020年

作者： Han, Zhi Yu, Siquan Lin, Shao-Bo Zhou, Ding-Xuan State Key Laboratory of Robotics Shenyang Institute of Automation Chinese Academy of Sciences Shenyang China Institutes for Robotics and Intelligent Manufacturing Chinese Academy of Sciences Shenyang China School of Information Science and Engineering Northeastern University Shenyang China Center of Intelligent Decision-Making and Machine Learning School of Management Xi'an Jiaotong University Xi'an China School of Data Science Department of Mathematics City University of Hong Kong Hong Kong

Deep learning is recognized to be capable of discovering deep features for representation learning and pattern recognition without requiring elegant feature engineering techniques by taking advantage of human ingenuity and prior knowledge. Thus it has triggered enormous research activities in machine learning and pattern recognition. One of the most important challenge of deep learning is to figure out relations between a feature and the depth of deep neural networks (deep nets for short) to reflect the necessity of depth. Our purpose is to quantify this feature-depth correspondence in feature extraction and generalization. We present the adaptivity of features to depths and vice-verse via showing a depth-parameter trade-off in extracting both single feature and composite features. Based on these results, we prove that implementing the classical empirical risk minimization on deep nets can achieve the optimal generalization performance for numerous learning tasks. Our theoretical results are verified by a series of numerical experiments including toy simulations and a real application of earthquake seismic intensity prediction. Copyright © 2020, The Authors. All rights reserved.

关键词： Feature extraction

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Optimal Neural Summarisation for Full-Field Weak Lensing Cosmological Implicit Inference

arXiv

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arXiv 2024年

作者： Lanzieri, Denise Zeghal, Justine Makinen, T. Lucas Boucaud, Alexandre Starck, Jean-Luc Lanusse, François Université Paris Cité Université Paris-Saclay CEA CNRS AIM Gif-sur-YvetteF-91191 France Université Paris Cité CNRS Astroparticule et Cosmologie ParisF-75013 France Astrophysics Group Imperial College London Blackett Laboratory Prince Consort Road LondonSW7 2AZ United Kingdom Université Paris-Saclay Université Paris Cité CEA CNRS AIM Gif-sur-Yvette91191 France Sony Computer Science Laboratories - Rome Joint Initiative CREF-SONY Centro Ricerche Enrico Fermi Via Panisperna 89/A Rome00184 Italy Greece Center for Computational Astrophysics Flatiron Institute 162 5th Ave New YorkNY10010 United States Department of Physics Université de Montréal MontréalH2V 0B3 Canada Mila – Quebec Artificial Intelligence Institute MontréalH2S 3H1 Canada Ciela – Montreal Institute for Astrophysical Data Analysis and Machine Learning MontréalH2V 0B3 Canada

Context. Traditionally, weak lensing cosmological surveys have been analyzed using summary statistics that were either motivated by their analytically tractable likelihoods (e.g. power spectrum), or by their ability to access some higher-order information (e.g. peak counts) but in that case at the cost of requiring a Simulation-Based Inference approach. In both cases, even if these statistics can be very informative, they are not designed nor guaranteed to be statistically sufficient (i.e. to capture all of the cosmological information content of the data). With the rise of deep learning, however, it becomes possible to create summary statistics that are specifically optimized to extract the full cosmological information content of the data. However, a fairly wide range of loss functions have been used in practice in the weak lensing literature to train such neural networks, leading to the natural question of whether a given loss should be preferred and whether sufficient statistics can be achieved in theory and in practice under these different choices. Aims. We compare different neural summarization strategies that have been proposed in the literature, to answer the question of what loss function leads to theoretically optimal summary statistics for performing full-field cosmological inference. In doing so, we aim to provide guidelines and insights to the community to help guide future neural network-based cosmological inference analyses. Methods. We design an experimental setup which allows us to isolate the specific impact of the loss function used to train neural summary statistics on weak lensing data, at fixed neural architecture and Simulation-Based Inference pipeline. To achieve this, we have developed the sbi_lens JAX package, which implements an automatically differentiable lognormal weak lensing simulator and the tools needed to perform explicit full-field inference with a Hamiltonian-Monte Carlo (HMC) sampler over this model. Using sbi_lens, we simulate

关键词： Cosmology

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The state-of-the-art in Cardiac MRI Reconstruction: Results of the CMRxRecon Challenge in MICCAI 2023

arXiv

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arXiv 2024年

作者： Lyu, Jun Qin, Chen Wang, Shuo Wang, Fanwen Li, Yan Wang, Zi Guo, Kunyuan Ouyang, Cheng Tänzer, Michael Liu, Meng Sun, Longyu Sun, Mengting Li, Qin Shi, Zhang Hua, Sha Li, Hao Chen, Zhensen Zhang, Zhenlin Xin, Bingyu Metaxas, Dimitris N. Yiasemis, George Teuwen, Jonas Zhang, Liping Chen, Weitian Pang, Yanwei Liu, Xiaohan Razumov, Artem Dylov, Dmitry V. Dou, Quan Yan, Kang Xue, Yuyang Du, Yuning Dietlmeier, Julia Garcia-Cabrera, Carles Hemidi, Ziad Al-Haj Vogt, Nora Xu, Ziqiang Zhang, Yajing Chu, Ying-Hua Chen, Weibo Bai, Wenjia Zhuang, Xiahai Qin, Jing Wu, Lianmin Yang, Guang Qu, Xiaobo Wang, He Wang, Chengyan Psychiatry Neuroimaging Laboratory Brigham and Women’s Hospital Harvard Medical School 399 Revolution Drive BostonMA02215 United States Department of Electrical and Electronic Engineering & I-X Imperial College London United Kingdom Digital Medical Research Center School of Basic Medical Sciences Fudan University Shanghai China Department of Bioengineering & I-X Imperial College London LondonW12 7SL United Kingdom Cardiovascular Magnetic Resonance Unit Royal Brompton Hospital Guy’s and St Thomas’ NHS Foundation Trust LondonSW3 6NP United Kingdom Department of Radiology Ruijin Hospital Shanghai Jiao Tong University School of Medicine Shanghai China Department of Electronic Science Fujian Provincial Key Laboratory of Plasma and Magnetic Resonance National Institute for Data Science in Health and Medicine Institute of Artificial Intelligence Xiamen University Xiamen361102 China Department of Computing Department of Brain Sciences Imperial College London LondonSW7 2AZ United Kingdom Human Phenome Institute Fudan University 825 Zhangheng Road Pudong New District Shanghai201203 China Department of Radiology Zhongshan Hospital Fudan University Shanghai China Department of Cardiovascular Medicine Ruijin Hospital Lu Wan Branch Shanghai Jiao Tong University School of Medicine Shanghai China Institute of Science and Technology for Brain-Inspired Intelligence Fudan University Shanghai200433 China Department of Computer Science Rutgers University PiscatawayNJ08854 United States AI for Oncology Netherlands Cancer Institute Plesmanlaan 121 Amsterdam1066 CX Netherlands Department of Imaging and Interventional Radiology The Chinese University of Hong Kong Hong Kong TJK-BIIT Lab School of Electrical and Information Engineering Tianjin University Tianjin300072 China Skolkovo Institute Of Science And Technology Center for Artificial Intelligence Technology 30/1 Bolshoy blvd. Moscow121205 Russia Department of Biomedical Engineering University of Virginia

Cardiac magnetic resonance imaging (MRI) provides detailed and quantitative evaluation of the heart’s structure, function, and tissue characteristics with high-resolution spatial-temporal imaging. However, its slow imaging speed and motion artifacts are notable limitations. Undersampling reconstruction, especially data-driven algorithms, has emerged as a promising solution to accelerate scans and enhance imaging performance using highly under-sampled data. Nevertheless, the scarcity of publicly available cardiac k-space datasets and evaluation platform hinder the development of data-driven reconstruction algorithms. To address this issue, we organized the Cardiac MRI Reconstruction Challenge (CMRxRecon) in 2023, in collaboration with the 26th International Conference on Medical Image Computing and Computer-Assisted Intervention (MICCAI). CMRxRecon presented an extensive k-space dataset comprising cine and mapping raw data, accompanied by detailed annotations of cardiac anatomical structures. With overwhelming participation, the challenge attracted more than 285 teams and over 600 participants. Among them, 22 teams successfully submitted Docker containers for the testing phase, with 7 teams submitted for both cine and mapping tasks. All teams use deep learning based approaches, indicating that deep learning has predominately become a promising solution for the problem. The first-place winner of both tasks utilizes the E2E-VarNet architecture as backbones. In contrast, U-Net is still the most popular backbone for both multi-coil and single-coil reconstructions. This paper provides a comprehensive overview of the challenge design, presents a summary of the submitted results, reviews the employed methods, and offers an in-depth discussion that aims to inspire future advancements in cardiac MRI reconstruction models. The summary emphasizes the effective strategies observed in Cardiac MRI reconstruction, including backbone architecture, loss function, pre-processing techn

关键词： Mapping

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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.

关键词：

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Analyzing the Structure of Attention in a Transformer Language Model

arXiv

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arXiv 2019年

作者： Vig, Jesse Belinkov, Yonatan Palo Alto Research Center Machine Learning and Data Science Group Interaction and Analytics Lab Palo AltoCA United States Harvard John A. Paulson School of Engineering and Applied Sciences MIT Computer Science and Artificial Intelligence Laboratory CambridgeMA United States

The Transformer is a fully attention-based alternative to recurrent networks that has achieved state-of-the-art results across a range of NLP tasks. In this paper, we analyze the structure of attention in a Transformer language model, the GPT-2 small pretrained model. We visualize attention for individual instances and analyze the interaction between attention and syntax over a large corpus. We find that attention targets different parts of speech at different layer depths within the model, and that attention aligns with dependency relations most strongly in the middle layers. We also find that the deepest layers of the model capture the most distant relationships. Finally, we extract exemplar sentences that reveal highly specific patterns targeted by particular attention heads. Copyright © 2019, The Authors. All rights reserved.

关键词： Recurrent neural networks

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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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VulnerVAN: A Vulnerable Network Generation Tool

VulnerVAN: A Vulnerable Network Generation Tool

引用

MILCOM, Military Communications Conference

作者： Sridhar Venkatesan Jason A. Youzwak Shridatt Sugrim Cho-Yu J. Chiang Alexander Poylisher Matthew Witkowski Gary Walther Michelle Wolberg Ritu Chadha E. Allison Newcomb Blaine Hoffman Norbou Buchler Machine Learning and Data Analytics Research Perspecta Labs Inc. Basking Ridge NJ USA Computational and Information Science Directorate U.S. CCDC Army Research Laboratory Aberdeen MD USA Human Research and Engineering Directorate U.S. CCDC Army Research Laboratory

ISBN: (数字)9781728142807

ISBN: (纸本)9781728142814

Cyber training, security testing, and research and development activities are vital to improve the security posture of a network. Currently, many institutions use cyber security testbeds to conduct these activities in an isolated virtual environment. One of the important requirements for such an environment is to provide organizers (or experimenters) with a library of vulnerable network scenarios and capabilities to mount attacks against them. However, the task of preparing a vulnerable network scenario in current testbed environments is costly in time and labor, requires significant support from the testbed staff. To this end, we present a toolset called VulnerVAN that creates a vulnerable network scenario to realize an attack sequence. In this paper, we discuss the design of VulnerVAn - our proof-of-concept implementation on CyberVAN - and present a new high-level attack specification language that enables users to chain attack steps into an attack sequence. For a given attack sequence and network scenario, VulnerVAN identifies all possible attack paths through the network that can realize the attack sequence, and provides instructions to configure machines on an attack path selected by the user. VulnerVAn also provides an attack blueprint that can guide a Red team or an automated attacker to execute the attack sequence. To demonstrate VulnerVAN's capability, we consider the use-case of a typical data exfiltration attack sequence conducted by APTs and study the performance of VulnerVAn in mapping the attack sequence to different networks.

关键词： data security Training Specification languages Virtual environments

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DeePMD-kit v2: A software package for Deep Potential models

arXiv

引用

arXiv 2023年

作者： Zeng, Jinzhe Zhang, Duo Lu, Denghui Mo, Pinghui Li, Zeyu Chen, Yixiao Rynik, Marián Huang, Li'ang Li, Ziyao Shi, Shaochen Wang, Yingze Ye, Haotian Tuo, Ping Yang, Jiabin Ding, Ye Li, Yifan Tisi, Davide Zeng, Qiyu Bao, Han Xia, Yu Huang, Jiameng Muraoka, Koki Wang, Yibo Chang, Junhan Yuan, Fengbo Bore, Sigbjørn Løland Cai, Chun Lin, Yinnian Wang, Bo Xu, Jiayan Zhu, Jia-Xin Luo, Chenxing Zhang, Yuzhi Goodall, Rhys E.A. Liang, Wenshuo Singh, Anurag Kumar Yao, Sikai Zhang, Jingchao Wentzcovitch, Renata Han, Jiequn Liu, Jie Jia, Weile York, Darrin M. Weinan, E. Car, Roberto Zhang, Linfeng Wang, Han Laboratory for Biomolecular Simulation Research Institute for Quantitative Biomedicine Department of Chemistry and Chemical Biology Rutgers University PiscatawayNJ08854 United States AI for Science Institute Beijing100080 China DP Technology Beijing100080 China Academy for Advanced Interdisciplinary Studies Peking University Beijing100871 China HEDPS CAPT College of Engineering Peking University Beijing100871 China College of Electrical and Information Engineering Hunan University Changsha China Yuanpei College Peking University Beijing100871 China Program in Applied and Computational Mathematics Princeton University PrincetonNJ08540 United States Department of Experimental Physics Comenius University Mlynská Dolina F2 Bratislava842 48 Slovakia Center for Quantum Information Institute for Interdisciplinary Information Sciences Tsinghua University Beijing100084 China Center for Data Science Peking University Beijing100871 China ByteDance Research Zhonghang Plaza No. 43 North 3rd Ring West Road Haidian District Beijing China College of Chemistry and Molecular Engineering Peking University Beijing100871 China Baidu Inc. Beijing China Key Laboratory of Structural Biology of Zhejiang Province School of Life Sciences Westlake University Zhejiang Hangzhou China Westlake AI Therapeutics Lab Westlake Laboratory of Life Sciences and Biomedicine Zhejiang Hangzhou China Department of Chemistry Princeton University PrincetonNJ08544 United States SISSA Scuola Internazionale Superiore di Studi Avanzati Trieste34136 Italy Laboratory of Computational Science and Modeling Institute of Materials École Polytechnique Fédérale de Lausanne Lausanne1015 Switzerland Department of Physics National University of Defense Technology Hunan Changsha410073 China State Key Lab of Processors Institute of Computing Technology Chinese Academy of Sciences Beijing China University of Chinese Academy of Sciences Beijing China School of Electronics Engineerin

DeePMD-kit is a powerful open-source software package that facilitates molecular dynamics simulations using machine learning potentials (MLP) known as Deep Potential (DP) models. This package, which was released in 2017, has been widely used in the fields of physics, chemistry, biology, and material science for studying atomistic systems. The current version of DeePMD-kit offers numerous advanced features such as DeepPot-SE, attention-based and hybrid descriptors, the ability to fit tensile properties, type embedding, model deviation, Deep Potential - Range Correction (DPRc), Deep Potential Long Range (DPLR), GPU support for customized operators, model compression, non-von Neumann molecular dynamics (NVNMD), and improved usability, including documentation, compiled binary packages, graphical user interfaces (GUI), and application programming interfaces (API). This article presents an overview of the current major version of the DeePMD-kit package, highlighting its features and technical details. Additionally, the article benchmarks the accuracy and efficiency of different models and discusses ongoing developments. © 2023, CC BY-NC-ND.

关键词： Molecular dynamics

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Optimal crowd navigation via spatio-temporal multidimensional collective data analysis

引用

NTT Technical Review 2017年第9期15卷 1-7页

作者： Naya, Futoshi Miyamoto, Masaru Ueda, Naonori Innovative Communication Laboratory NTT Communication Science Laboratories Japan Service Innovation Laboratory NTT Service Evolution Laboratories Japan Machine Learning and Data Science Center NTT Communication Science Laboratories Japan

We introduce technology for predicting the risk of congestion in the near future from real-time observational data of people or automobile flows and for automatically deriving an optimal crowd navigation plan online to avoid that risk. This technology can deal with unforeseen situations by performing simulations based on machine learning. Our aim in establishing this technology is to help construct a safe and secure and more comfortable social infrastructure.

关键词： Navigation

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