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arXiv 2023年

作者： Chen, Ziqi Min, Martin Renqiang Guo, Hongyu Cheng, Chao Clancy, Trevor Ning, Xia Computer Science and Engineering The Ohio State University ColumbusOH43210 United States Machine Learning Department NEC Labs PrincetonNJ08540 United States Digital Technologies Research Centre National Research Council Canada ON Canada Department of Medicine Baylor College of Medicine HoustonTX77030 United States NEC Oncolmmunity AS Oslo Cancer Cluster Innovation Park Ullernchausséen 64 Oslo0379 Norway Biomedical Informatics The Ohio State University ColumbusOH43210 United States Translational Data Analytics Institute The Ohio State University ColumbusOH43210 United States

T cells monitor the health status of cells by identifying foreign peptides displayed on their surface. T-cell receptors (TCRs), which are protein complexes found on the surface of T cells, are able to bind to these peptides. This process is known as TCR recognition and constitutes a key step for immune response. Optimizing TCR sequences for TCR recognition represents a fundamental step towards the development of personalized treatments to trigger immune responses killing cancerous or virus-infected cells. In this paper, we formulated the search for these optimized TCRs as a reinforcement learning (RL) problem, and presented a framework TCRPPO with a mutation policy using proximal policy optimization. TCRPPO mutates TCRs into effective ones that can recognize given peptides. TCRPPO leverages a reward function that combines the likelihoods of mutated sequences being valid TCRs measured by a new scoring function based on deep autoencoders, with the probabilities of mutated sequences recognizing peptides from a peptide-TCR interaction predictor. We compared TCRPPO with multiple baseline methods and demonstrated that TCRPPO significantly outperforms all the baseline methods to generate positive binding and valid TCRs. These results demonstrate the potential of TCRPPO for both precision immunotherapy and peptide-recognizing TCR motif discovery. © 2023, CC BY.

关键词： Reinforcement learning

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Hierarchical Bayesian approach for adaptive integration of Bragg peaks in time-of-flight neutron scattering data

arXiv

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arXiv 2024年

作者： Reshniak, Viktor Wang, Xiaoping Zhang, Guannan Liu, Siyan Yin, Junqi Data Analysis and Machine Learning Group Oak Ridge National Laboratory 1 Bethel Valley Rd Oak RidgeTN37830 United States Single Crystal Diffraction Oak Ridge National Laboratory 1 Bethel Valley Rd Oak RidgeTN37830 United States Computational Earth Sciences Group Oak Ridge National Laboratory 1 Bethel Valley Rd Oak RidgeTN37830 United States Analytics and AI Methods at Scale Oak Ridge National Laboratory 1 Bethel Valley Rd Oak RidgeTN37830 United States

The Spallation Neutron Source (SNS) at Oak Ridge National Laboratory (ORNL) operates in the event mode. Time-of-flight (TOF) information about each detected neutron is collected separately and saved as a descriptive entry in a database enabling unprecedented accuracy of the collected experimental data. Nevertheless, the common data processing pipeline still involves the binning of data to perform analysis and feature extraction. For weak reflections, improper binning leads to sparse histograms with low signal-to-noise ratios, rendering them uninformative. In this study, we propose the Bayesian approach for the identification of Bragg peaks in TOF diffraction data. The method is capable of adaptively handling the varying sampling rates found in different regions of the reciprocal space. Unlike histogram fitting methods, our approach focuses on estimating the true neutron flux function. We accomplish this by employing a profile fitting algorithm based on the event-level likelihood, along with a multiresolution histogram-level prior. By using this approach, we ensure that there is no loss of information due to data reduction in strong reflections and that the search space is appropriately restricted for weak reflections. To demonstrate the effectiveness of our proposed model, we apply it to real experimental data collected at the TOPAZ single crystal diffractometer at SNS. Copyright © 2024, The Authors. All rights reserved.

关键词： Diffraction

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A scalable pipeline to create synthetic datasets from functional-structural plant models for deep learning (vol 6, diad022, 2024)

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IN SILICO PLANTS 2024年第1期6卷

作者： Baker, Dirk Norbert Bauer, Felix Maximilian Giraud, Mona Schnepf, Andrea Goebbert, Jens Henrik Scharr, Hanno Hvannberg, Ebba Thora Riedel, Morris School of Engineering and Natural Sciences Sæmundargata 2 102 Reykjavík Iceland Jülich Supercomputing Centre Forschungszentrum Jülich GmbH Wilhelm-Johnen-Straße 52428 Jülich Germany Institute of Bio- and Geosciences 3 (Agrosphere) Forschungszentrum Jülich GmbH Wilhelm-Johnen-Straße 52428 Jülich Germany Institute for Advanced Simulation 8 (Data Analytics and Machine Learning) Forschungszentrum Jülich GmbH Wilhelm-Johnen-Straße 52428 Jülich Germany

In plant science, it is an established method to obtain structural parameters of crops using image analysis. In recent years, deep learning techniques have improved the underlying processes significantly. However, since data acquisition is time and resource consuming, reliable training data are currently limited. To overcome this bottleneck, synthetic data are a promising option for not only enabling a higher order of correctness by offering more training data but also for validation of results. However, the creation of synthetic data is complex and requires extensive knowledge in Computer Graphics, Visualization and High-Performance Computing. We address this by introducingSynavis, a framework that allows users to train networks on real-time generated data. We created a pipeline that integrates realistic plant structures, simulated by the functional–structural plant model framework CPlantBox, into the game engine Unreal Engine. For this purpose, we needed to extend CPlantBox by introducing a new leaf geometrization that results in realistic leafs. All parameterized geometries of the plant are directly provided by the plant model. In the Unreal Engine, it is possible to alter the environment. WebRTC enables the streaming of the final image composition, which, in turn, can then be directly used to train deep neural networks to increase parameter robustness, for further plant trait detection and validation of original parameters. We enable user-friendly ready-to-use pipelines, providing virtual plant experiment and field visualizations, a python-binding library to access synthetic data and a ready-to-run example to train models.

关键词： Computer vision deep learning FSPM HPC synthetic data visualization

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Big data: Prospects and Challenges

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Vikalpa 2015年第1期40卷 74 - 96页

作者： Janakiraman Moorthy Rangin Lahiri Neelanjan Biswas Dipyaman Sanyal Jayanthi Ranjan Krishnadas Nanath Pulak Ghosh (Coordinator) Director and Professor of Marketing at the Institute of Management Technology Dubai. Earlier he was Professor of Marketing at the IIM Calcutta and IIM Lucknow. He received his PhD from IIM Ahmedabad. His recent research papers were published in the leading scholarly ournals such as Marketing Science British Food Journal Journal of Information Technology Case and Application Research Journal of Database Marketing & Customer Strategy Management. He has wide experience in the banking and investment industry. He was earlier the Global Research and Project Director of the Institute for Customer Relationship Management Atlanta USA. He was the Convener of the prestigious CAT Exam 2011. e-mail: Practice Director leading Atos India's CRM practice while supporting Strategic Business Development for North American Market. With an experience of more than 15 years Rangin has worked extensively as a Business Consultant in Information Technology (Sales Automation Marketing & Service Management area) Customer Data Management and CRM Analytics. e-mail: Business Consultant at Atos with extensive experience in Business Analysis Risk Management Analytics Business Development Presales Solution Ideation on Enterprise Data Management Enterprise Reference Data and Master Data Management area. e-mail: founder and CEO of dono consulting a boutique quantitative analytics and investment research firm. He has worked for leading financial firms in New York and India including Dow Jones Blackstone Sorin Capital (VP Quantitative Modeling) and Thomson Reuters (Head of Real Estate Analytics). A CFA charter holder and Commonwealth Scholar Deep has an MS (Applied Economics) from University of Texas Dallas and an MA (Economics) from Jadavpur University e-mail: Professor in the Information Systems Group of the Institute of Management Technology Ghaziabad. Her PhD is in the field of data mining from Jamia Millia Islamia Central University India. She has published five edited books. She is serving on the editorial b

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Correction to: Development and clinical validation of inertial sensor-based gait-clustering methods in Parkinson's disease

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Journal of neuroengineering and rehabilitation 2019年第1期16卷 98页

作者： An Nguyen Nils Roth Nooshin Haji Ghassemi Julius Hannink Thomas Seel Jochen Klucken Heiko Gassner Bjoern M Eskofier Machine Learning and Data Analytics Lab Department of Computer Science Friedrich-Alexander-University Erlangen-Nürnberg (FAU) Carl-Thiersch-Straße 2b 91052 Erlangen Germany. an.nguyen@fau.de. Machine Learning and Data Analytics Lab Department of Computer Science Friedrich-Alexander-University Erlangen-Nürnberg (FAU) Carl-Thiersch-Straße 2b 91052 Erlangen Germany. Control Systems Group Department of Electrical Engineering and Computer Science Technische Universität Berlin (TUB) Einsteinufer 17 10587 Berlin Germany. Department of Molecular Neurology University Hospital Erlangen Friedrich-Alexander University Erlangen-Nürnberg (FAU) Schwabachanlage 6 91054 Erlangen Germany.

The original article [1] contained an error whereby Fig. 6 contained a minor shading glitch affecting its presentation. This has now been corrected.

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Uncertainty Quantification in machine learning for Engineering Design and Health Prognostics: A Tutorial

arXiv

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arXiv 2023年

作者： Nemani, Venkat Biggio, Luca Huan, Xun Hu, Zhen Fink, Olga Tran, Anh Wang, Yan Zhang, Xiaoge Hu, Chao Department of Mechanical Engineering Iowa State University AmesIA50011 United States Data Analytics Lab ETH Zürich Switzerland Department of Mechanical Engineering University of Michigan Ann ArborMI48109 United States Department of Industrial and Manufacturing Systems Engineering University of Michigan-Dearborn DearbornMI48128 United States Intelligent Maintenance and Operations Systems EPFL Lausanne12309 Switzerland Scientific Machine Learning Sandia National Laboratories AlbuquerqueNM87123 United States George W. Woodruff School of Mechanical Engineering Georgia Institute of Technology AtlantaGA30332 United States Department of Industrial and Systems Engineering The Hong Kong Polytechnic University Kowloon Hong Kong New Territories Hong Kong Department of Mechanical Engineering University of Connecticut StorrsCT06269 United States

On top of machine learning (ML) models, uncertainty quantification (UQ) functions as an essential layer of safety assurance that could lead to more principled decision making by enabling sound risk assessment and management. The safety and reliability improvement of ML models empowered by UQ has the potential to significantly facilitate the broad adoption of ML solutions in high-stakes decision settings, such as healthcare, manufacturing, and aviation, to name a few. In this tutorial, we aim to provide a holistic lens on emerging UQ methods for ML models with a particular focus on neural networks and the applications of these UQ methods in tackling engineering design as well as prognostics and health management problems. Toward this goal, we start with a comprehensive classification of uncertainty types, sources, and causes pertaining to UQ of ML models. Next, we provide a tutorial-style description of several state-of-the-art UQ methods: Gaussian process regression, Bayesian neural network, neural network ensemble, and deterministic UQ methods focusing on spectral-normalized neural Gaussian process. Established upon the mathematical formulations, we subsequently examine the soundness of these UQ methods quantitatively and qualitatively (by a toy regression example) to examine their strengths and shortcomings from different dimensions. Then, we review quantitative metrics commonly used to assess the quality of predictive uncertainty in classification and regression problems. Afterward, we discuss the increasingly important role of UQ of ML models in solving challenging problems in engineering design and health prognostics. Two case studies with source codes available on GitHub are used to demonstrate these UQ methods and compare their performance in the life prediction of lithium-ion batteries at the early stage (case study 1) and the remaining useful life prediction of turbofan engines (case study 2). © 2023, CC BY.

关键词： machine learning

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Metadata Concepts for Advancing the Use of Digital Health Technologies in Clinical Research

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Digital Biomarkers 2019年第3期3卷 116-132页

作者： Badawy, Reham Hameed, Farhan Bataille, Lauren Little, Max A. Claes, Kasper Saria, Suchi Cedarbaum, Jesse M. Stephenson, Diane Neville, Jon Maetzler, Walter Espay, Alberto J. Bloem, Bastiaan R. Simuni, Tanya Karlin, Daniel R. School of Computer Science University of Birmingham Birmingham United Kingdom Digital Medicine and Pfizer Innovation Research Lab Early Clinical Development Pfizer Inc. CambridgeMA United States College of Computer and Information Science Northeastern University BostonMA United States Analytics Informatics and Business Intelligence Chief Digital Office Pfizer Inc. New YorkNY United States Michael J. Fox Foundation for Parkinson's Research New YorkNY United States Media Lab Massachusetts Institute of Technology CambridgeMA United States UCB Biopharma Brussels Belgium Machine Learning and Healthcare Laboratory Departments of Computer Science Statistics and Health Policy Malone Center for Engineering in Healthcare Armstrong Institute for Patient Safety and Quality Johns Hopkins University BaltimoreMD United States Biogen CambridgeMA United States Critical Path Institute TucsonAZ United States Clinical Data Interchange Standards Consortium AustinTX United States Department of Neurology Christian Albrecht University Kiel Germany James J. and Joan A. Gardner Family Center for Parkinson's Disease and Movement Disorders University of Cincinnati CincinnatiOH United States Department of Neurology Donders Institute for Brain Cognition and Behavior Radboud University Medical Center Nijmegen Netherlands Department of Neurology Gardner Center for Parkinson's Disease and Movement Disorders UC Gardner Neuroscience Institute University of Cincinnati CincinnatiOH United States Tufts University School of Medicine BostonMA United States HealthMode New YorkNY United States School of Engineering and Applied Science Aston University BirminghamB47ET United Kingdom

Digital health technologies (smartphones, smartwatches, and other body-worn sensors) can act as novel tools to aid in the diagnosis and remote objective monitoring of an individual's disease symptoms, both in clinical care and in research. Nonetheless, such digital health technologies have yet to widely demonstrate value in clinical research due to insufficient data interpretability and lack of regulatory acceptance. Metadata, i.e., data that accompany and describe the primary data, can be utilized to better understand the context of the sensor data and can assist in data management, data sharing, and subsequent data analysis. The need for data and metadata standards for digital health technologies has been raised in academic and industry research communities and has also been noted by regulatory authorities. Therefore, to address this unmet need, we here propose a metadata set that reflects regulatory guidelines and that can serve as a conceptual map to (1) inform researchers on the metadata they should collect in digital health studies, aiming to increase the interpretability and exchangeability of their data, and (2) direct standard development organizations on how to extend their existing standards to incorporate digital health technologies. The proposed metadata set is informed by existing standards pertaining to clinical trials and medical devices, in addition to existing schemas that have supported digital health technology studies. We illustrate this specifically in the context of Parkinson's disease, as a model for a wide range of other chronic conditions for which remote monitoring would be useful in both care and science. We invite the scientific and clinical research communities to apply the proposed metadata set to ongoing and planned research. Where the proposed metadata fall short, we ask users to contribute to its ongoing revision so that an adequate degree of consensus can be maintained in a rapidly evolving technology landscape. © 2019 The Author(s

关键词： Metadata

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Accurately predicting anticancer peptide using an ensemble of heterogeneously trained classifiers

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Informatics in Medicine Unlocked 2023年 42卷

作者： Azim, Sayed Mehedi Sabab, Noor Hossain Nuri Noshadi, Iman Alinejad-Rokny, Hamid Sharma, Alok Shatabda, Swakkhar Dehzangi, Iman Center for Computational and Integrative Biology Rutgers University Camden 08102 NJ United States Department of Computer Science and Engineering United International University Plot 2 United City Madani Avenue BaddaDhaka 1212 Bangladesh Department of Bioengineering University of California Riverside 92507 CA United States BioMedical Machine Learning Lab The Graduate School of Biomedical Engineering The University of New South Wales (UNSW Sydney) Sydney NSW 2052 Australia UNSW Data Science Hub UNSW Sydney Sydney NSW 2052 Australia Health Data Analytics Program AI-enabled Processes Research Centre Macquarie University Sydney 2109 Australia Institute for Integrated and Intelligent Systems Griffith University Brisbane Australia Laboratory for Medical Science Mathematics RIKEN Center for Integrative Medical Sciences Yokohama 230-0045 Japan Department of Computer Science Rutgers University Camden 08102 NJ United States

The use of therapeutic peptides for the treatment of cancer has received tremendous attention in recent years. Anticancer peptides (ACPs) are considered new anticancer drugs which have several advantages over chemistry-based drugs including high specificity, strong tumor penetration capacity, and low toxicity level for normal cells. Due to the rise of experimentally verified bioactive peptides, several in silico approaches became imperative for the investigation of the characteristics of ACPs. In this paper, we proposed a new machine learning tool named iACP-RF that uses a combination of several sequence-based features and an ensemble of three heterogeneously trained Random Forest classifiers to accurately predict anticancer peptides. Experimental results show that our proposed model achieves an accuracy of 75.9% which outperforms other state-of-the-art methods by a significant margin. We also achieve 0.52, 75.6%, and 76.2% in terms of Matthews Correlation Coefficient (MCC), Sensitivity, and Specificity, respectively. iACP-RF as a standalone tool and its source code are publicly available at: https://***/MLBC-lab/iACP-RF. © 2023 The Authors

关键词： Anticancer peptides Ensemble learning Feature extraction Heterogeneous classifiers machine learning Random Forest

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Harnessing multimodal approaches for depression detection using large language models and facial expressions

Npj mental health research

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Npj mental health research 2024年第1期3卷 66页

作者： Misha Sadeghi Robert Richer Bernhard Egger Lena Schindler-Gmelch Lydia Helene Rupp Farnaz Rahimi Matthias Berking Bjoern M Eskofier Machine Learning and Data Analytics Lab (MaD Lab) Department Artificial Intelligence in Biomedical Engineering (AIBE) Friedrich-Alexander-Universität Erlangen-Nürnberg (FAU) Erlangen 91052 Germany. misha.sadeghi@fau.de. Machine Learning and Data Analytics Lab (MaD Lab) Department Artificial Intelligence in Biomedical Engineering (AIBE) Friedrich-Alexander-Universität Erlangen-Nürnberg (FAU) Erlangen 91052 Germany. Chair of Visual Computing (LGDV) Department of Computer Science Friedrich-Alexander-Universität Erlangen-Nürnberg (FAU) Erlangen 91058 Germany. Chair of Clinical Psychology and Psychotherapy (KliPs) Friedrich-Alexander-Universität Erlangen-Nürnberg (FAU) Erlangen 91052 Germany. Translational Digital Health Group Institute of AI for Health Helmholtz Zentrum München - German Research Center for Environmental Health Neuherberg 85764 Germany.

Detecting depression is a critical component of mental health diagnosis, and accurate assessment is essential for effective treatment. This study introduces a novel, fully automated approach to predicting depression severity using the E-DAIC dataset. We employ Large Language Models (LLMs) to extract depression-related indicators from interview transcripts, utilizing the Patient Health Questionnaire-8 (PHQ-8) score to train the prediction model. Additionally, facial data extracted from video frames is integrated with textual data to create a multimodal model for depression severity prediction. We evaluate three approaches: text-based features, facial features, and a combination of both. Our findings show the best results are achieved by enhancing text data with speech quality assessment, with a mean absolute error of 2.85 and root mean square error of 4.02. This study underscores the potential of automated depression detection, showing text-only models as robust and effective while paving the way for multimodal analysis.

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Evaluating the Accuracy and Reliability of Real-World Digital Mobility Outcomes in Older Adults After Hip Fracture: Cross-Sectional Observational Study

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JMIR formative research 2025年 9卷 e67792页

作者： Martin A Berge Anisoara Paraschiv-Ionescu Cameron Kirk Arne Küderle Encarna Micó-Amigo Clemens Becker Andrea Cereatti Silvia Del Din Monika Engdal Judith Garcia-Aymerich Karoline B Grønvik Clint Hansen Jeffrey M Hausdorff Jorunn L Helbostad Carl-Philipp Jansen Lars Gunnar Johnsen Jochen Klenk Sarah Koch Walter Maetzler Dimitrios Megaritis Arne Müller Lynn Rochester Lars Schwickert Kristin Taraldsen Beatrix Vereijken Department of Neuromedicine and Movement Science Norwegian University of Science and Technology Trondheim Norway. Laboratory of Movement Analysis and Measurement Ecole Polytechnique Federale de Lausanne Lausanne Switzerland. Translational and Clinical Research Institute Faculty of Medical Sciences Newcastle University Newcastle Upon Tyne United Kingdom. Machine Learning and Data Analytics Lab Department Artificial Intelligence in Biomedical Engineering Friedrich-Alexander-Universität Erlangen-Nürnberg Erlangen Germany. Geriatric Center Medical Faculty Heidelberg Heidelberg University Heidelberg Germany. Department of Geriatrics and Rehabilitation Robert Bosch Hospital Stuttgart Germany. Department of Electronics and Telecommunications Politecnico di Torino Turin Italy. National Institute for Health and Care Research Newcastle Biomedical Research Centre Newcastle University and the Newcastle Upon Tyne Hospitals NHS Foundation Trust Newcastle Upon Tyne United Kingdom. Barcelona Institute for Global Health Barcelona Spain. Department of Medicine and Life Sciences Universitat Pompeu Fabra Barcelona Catalonia Spain. CIBER Epidemiología y Salud Pública Madrid Spain. Department of Neurology University Hospital Schleswig-Holstein and Kiel University Kiel Germany. Center for the Study of Movement Cognition and Mobility Neurological Institute Tel Aviv Medical Center Tel Aviv Israel. Department of Physical Therapy Faculty of Medical & Health Sciences Tel Aviv University Tel Aviv Israel. Sagol School of Neuroscience Tel Aviv University Tel Aviv Israel. Rush Alzheimer's Disease Center Rush University Medical Center Chicago IL United States. Department of Orthopedic Surgery Rush Medical College Rush University Chicago IL United States. Department of Orthopaedic Surgery St. Olav's Hospital Trondheim Norway. Institute of Epidemiology and Medical Biometry Ulm University Ulm Germany. IB University of Health and Social Sciences Study Centre Stuttgart Stuttgart Ger

BACKGROUND:Algorithms estimating real-world digital mobility outcomes (DMOs) are increasingly validated in healthy adults and various disease cohorts. However, their accuracy and reliability in older adults after hip fracture, who often walk slowly for short durations, is underexplored. OBJECTIVE:This study examined DMO accuracy and reliability in a hip fracture cohort considering walking bout (WB) duration, physical function, days since surgery, and walking aid use. METHODS:In total, 19 community-dwelling participants were real-world monitored for 2.5 hours using a lower back wearable device and a reference system combining inertial modules, distance sensors, and pressure insoles. A total of 6 DMO estimates from 164 WBs from 58% (11/19) of the participants (aged 71-90 years; assessed 32-390 days after surgery; Short Physical Performance Battery [SPPB] scores of 3-12; gait speed range 0.39-1.34 m/s) were assessed against the reference system at the WB and participant level. We stratified by WB duration (all WBs, WBs of >10 seconds, WBs of 10-30 seconds, and WBs of >30 seconds) and lower versus higher SPPB scores and observed whether days since surgery and walking aid use affected DMO accuracy and reliability. RESULTS:Across WBs, walking speed and distance ranged from 0.25 to 1.29 m/s and from 1.7 to 436.5 m, respectively. Estimation of walking speed, cadence, stride duration, number of steps, and distance stratified by WB duration showed intraclass correlation coefficients (ICCs) ranging from 0.50 to 0.99 and mean relative errors (MREs) from -6.9% to 12.8%. Stride length estimation showed poor reliability, with ICCs ranging from 0.30 to 0.49 and MREs from 6.1% to 13.2%. Walking speed and distance ICCs in the higher-SPPB score group ranged from 0.85 to 0.99, and MREs ranged from -10.1% to -1.7%. In the lower-SPPB score group, walking speed and distance ICCs ranged from 0.17 to 0.99, and MREs ranged from 13.5% to 32.6%. There was no discernible effect of time since su

关键词： active aging cadence digital mobility assessment distance free living gait walking speed wearable device

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