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Drugs with SMILES Similar to Coxibs

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Drugs with SMILES Similar to Coxibs

IEEE Symposium on Bioinformatics and Bioengineering (BIBE)

作者： George Kallergis Stelios Sfakianakis Michael Zervakis Marios Spanakis Digital Image and Signal Processing Laboratory School of Electrical and Computer Engineering Technical University of Crete Polytechnioupolis Chania Greece Computational Biomedicine Laboratory Institute of Computer Science Foundation for Research & Technology Hellas (FORTH) Heracklion Greece

Coxibs are a group of drugs with selective inhibition against cyclooxygenase-2 (COX-2) enzymes with increased interest from scientific community due to their side effects and potential other pharmacological mechanisms. The aim of this work is to utilize the chemical characteristics of coxibs in order to identify compounds with similar chemical structure. The approach is based on the assessment of the Simplified Molecular-Input Line-Entry System (SMILES) as adequate molecular structure representations for the identification of drug similarities. The similarity measurements are based on molecular fingerprints that were extracted from coxibs and the Maximum Consecutive Subsequence (MCS) algorithm. An ensemble of methods based on majority voting, weighting and equal weighting on the algorithms was further applied. Majority voting returned 200 similar compounds whereas weighting and equal weighting returned 53 and 27 compounds respectively. Interestingly, despite the independence of the methods, all three identified 20 common compounds. The identification of drugs with potential chemical similarity with coxibs, as revealed from similarity measurements of fingerprints and MCS scores could provide new insights for potential biological targets for coxibs or drugs that could interact with COX-2 or other biological targets of coxibs.

关键词： Drugs Fingerprint recognition Compounds Chemicals Biological information theory Inhibitors Digital images

Fusarium Wilt Inspection for Phalaenopsis Using Uniform Interval Hyperspectral Band Selection Techniques

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Fusarium Wilt Inspection for Phalaenopsis Using Uniform Inte...

IEEE International Symposium on Geoscience and Remote Sensing (IGARSS)

作者： Bo-Han Chen Yen-Chieh Ouyang Mang Ou-Yang Horng-Yuh Guo Tsang-Sen Liu Hsian-Min Chen Chao-Cheng Wu Chia-Hsien Wen Chgein-I Chang Min-Shao Shih National Chung Hsing University Taichung Taiwan National Chiao-Tung University Hsinchu City Taiwan Taiwan Agriculture Research Institute Nan-Tou Taiwan Center for Quantitative Imaging in Medicine Taichung Veterans General Hospital Taichung Taiwan National Taipei University of Technology Taipei Taiwan Providence University Taichung Taiwan Remote Sensing Signal and Image Processing Laboratory University of Maryland Baltimore County Baltimore MD USA

ISBN: (数字)9781728163741

ISBN: (纸本)9781728163758

In this paper, we propose a method to inspect the quality of Phalaenopsis by using hyperspectral imaging techniques. Phalaenopsis is easy to get infected with Fusarium wilt. We use the k-means clustering method to find out that the reflection spectrum of Phalaenopsis stem changes. The methods of the Spectral Angle Mapper (SAM) and Constrained Energy Minimization (CEM) are then used to find the area of the infected area. The Harsanyi, Farrand and Chang (HFC) methods and virtual dimensions (VD) are used to estimate the amount of spectrum required for band selection (BS). Band priority (BP) is used to calculate the priority of each band, and band de-correlation (BD) will remove band data with high correlation with each other. Then use the support vector machine (SVM) to detect Phalaenopsis wilt. The detection accuracy of VNIR and SWIR is 0.81 and 0.86, respectively, with band selection.

关键词： Hyperspectral imaging Support vector machines Hybrid fiber coaxial cables Feature extraction Diseases Correlation signal to noise ratio

A Robust Ensemble Algorithm for Ischemic Stroke Lesion Segmentation: Generalizability and Clinical Utility Beyond the ISLES Challenge

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arXiv 2024年

作者： de la Rosa, Ezequiel Reyes, Mauricio Liew, Sook-Lei Hutton, Alexandre Wiest, Roland Kaesmacher, Johannes Hanning, Uta Hakim, Arsany Zubal, Richard Valenzuela, Waldo Robben, David Sima, Diana M. Anania, Vincenzo Brys, Arne Meakin, James A. Mickan, Anne Broocks, Gabriel Heitkamp, Christian Gao, Shengbo Liang, Kongming Zhang, Ziji Siddiquee, Md Mahfuzur Rahman Myronenko, Andriy Ashtari, Pooya Van Huffel, Sabine Jeong, Hyun-Su Yoon, Chi-Ho Kim, Chulhong Huo, Jiayu Ourselin, Sebastien Sparks, Rachel Clèrigues, Albert Oliver, Arnau Lladó, Xavier Chalcroft, Liam Pappas, Ioannis Bertels, Jeroen Heylen, Ewout Moreau, Juliette Hatami, Nima Frindel, Carole Qayyum, Abdul Mazher, Moona Puig, Domenec Lin, Shao-Chieh Juan, Chun-Jung Hu, Tianxi Boone, Lyndon Goubran, Maged Liu, Yi-Jui Wegener, Susanne Kofler, Florian Ezhov, Ivan Shit, Suprosanna Hernandez Petzsche, Moritz R. Menze, Bjoern Kirschke, Jan S. Wiestler, Benedikt Department of Quantitative Biomedicine University of Zurich Zurich Switzerland Department of Informatics Technical University Munich Germany Icometrix Leuven Belgium ARTORG Center for Biomedical Research University of Bern Bern Switzerland Department of Radiation Oncology University Hospital Bern University of Bern Switzerland University of Bern Bern Switzerland Chan Division of Occupational Science and Occupational Therapy University of Southern California Los AngelesCA United States Stevens Neuroimaging and Informatics Institute Department of Neurology Keck School of Medicine University of Southern California United States University Institute of Diagnostic and Interventional Neuroradiology Inselspital Bern Switzerland University Institute of Diagnostic and Interventional Neuroradiology University Hospital Bern Inselspital University of Bern Bern Switzerland Department of Diagnostic and Interventional neuroradiology University Medical Center Hamburg-Eppendorf Hamburg Germany Department of Medical Imaging Radboud University Medical Center Institute for Health Sciences Nijmegen Netherlands Deepwise AI Lab Beijing China Beijing University of Posts and Telecommunications Bejing China School of Computing and Augmented Intelligence Arizona State University TempeAZ United States NVIDIA Santa ClaraCA United States STADIUS Center for Dynamical Systems Signal Processing and Data Analytics KU Leuven Leuven Belgium Pohang Korea Republic of School of Biomedical Engineering & Imaging Sciences King’s College London United Kingdom Institute of Computer Vision and Robotics University of Girona Spain Wellcome Centre for Human Neuroimaging University College London London United Kingdom Laboratory of Neuro Imaging Stevens Institute for Neuroimaging and Informatics Keck School of Medicine University of Southern California Los Angeles United States KU Leuven Leuven Belgium CREATIS Université Lyon1 CNRS UMR5220 INSERM U1206 INSA-Lyon Villeurbanne696

Diffusion-weighted MRI (DWI) is essential for stroke diagnosis, treatment decisions, and prognosis. However, image and disease variability hinder the development of generalizable AI algorithms with clinical value. We address this gap by presenting a novel ensemble algorithm derived from the 2022 Ischemic Stroke Lesion Segmentation (ISLES) challenge. ISLES’22 provided 400 patient scans with ischemic stroke from various medical centers, facilitating the development of a wide range of cutting-edge segmentation algorithms by the research community. By assessing them against a hidden test set, we identified strengths, weaknesses, and potential biases. Through collaboration with leading teams, we combined top-performing algorithms into an ensemble model that overcomes the limitations of individual solutions. Our ensemble model combines the individual algorithms’ strengths and achieved superior ischemic lesion detection and segmentation accuracy (median Dice score: 0.82, median lesion-wise F1 score: 0.86) on our internal test set compared to individual algorithms. This accuracy generalized well across diverse image and disease variables. Furthermore, the model excelled in extracting clinical biomarkers like lesion types and affected vascular territories. Notably, in a Turing-like test, neuroradiologists consistently preferred the algorithm’s segmentations over manual expert efforts, highlighting increased comprehensiveness and precision. Validation using a real-world external dataset (N=1686) confirmed the model’s generalizability (median Dice score: 0.82, median lesion-wise F1 score: 0.86). The algorithm’s outputs also demonstrated strong correlations with clinical scores (admission NIHSS and 90-day mRS) on par with or exceeding expert-derived results, underlining its clinical relevance. This study offers two key findings. First, we present an ensemble algorithm that detects and segments ischemic stroke lesions on DWI across diverse scenarios on par with expert (neuro)rad

关键词： Diagnosis

Measurement of liquid flow rate among the annular flow in vertical tee junction

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arXiv 2020年

作者： Huang, Shuo Fu, Tianyu Zhang, Guanmin Sun, Yu Laboratory of Signal and Image Processing School of Biological Sciences and Medical Engineering Southeast University Nanjing210096 China International Laboratory for Children's Medical Imaging Research School of Biological Sciences and Medical Engineering Southeast University Nanjing210096 China School of Energy and Power Engineering Shandong University Jinan250061 China Institute of Cancer and Genomic Science University of Birmingham BirminghamB15 2TT United Kingdom

Since the liquid flow rate of the annular flow is closely related to the heat exchange efficiency, it has great significance to measure the liquid flow rate of the annular flow in vertical tee junction. In order to acquire the liquid flow rate of the annular flow in vertical tee junction, a measurement method has been designed, which implements the digital subtraction method to measure the thickness of the liquid film under the visible light and to apply the image feature matching algorithm to obtain the liquid velocity field. Moreover, the accuracy of the liquid film velocity field as well as the spatial and temporal stability of the mass flow rate is tested by proposed algorithms in this study. Experimental results show that the measurement error of our method is approximately 5% in the lower section of the main pipe and the branch pipe, and lower than 15% in the upper section of the main pipe. Therefore, this method has a high accuracy in comparison with other measurement approaches. Our method can be applied to measure and analyse the shape and property of the annular flow in the vertical tee junction. Copyright © 2020, The Authors. All rights reserved.

关键词： Liquid films

A Data Structure-Based Approximate Belief Propagation Decoder for Polar Codes

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A Data Structure-Based Approximate Belief Propagation Decode...

IEEE Workshop on signal processing Systems (SIPS)

作者： Menghui Xu Weikang Qian Zaichen Zhang Xiaohu You Chuan Zhang Lab of Efficient Architectures for Digital-communication and Signal-processing (LEADS) University of Michigan-Shanghai Jiao Tong University Joint Institute Shanghai Jiao Tong University Shanghai China National Mobile Communications Research Laboratory Southeast University Nanjing China

ISBN: (数字)9781728119274

ISBN: (纸本)9781728119281

Polar code, as the first code that can probably achieve the capacity of B-DMCs, has received great attention. Belief propagation (BP) decoding algorithm, a paralleled de-coding approach for polar codes, suffers from high hardware complexity. In this paper, we devoted ourselves to proposing a data structure-based approximate BP decoder for polar code. Multiple simulations have been done. The simulation results show that by reforming the data structure of the received channel message and introducing the approximate computing schemes, significant hardware reduction has been made compared to its conventional counterpart. The hardware architecture and corresponding implementation results are also given in this paper.

关键词： Decoding Hardware Iterative decoding Belief propagation Approximate computing Data structures

Novel explanation of the Active Galactic Nuclei. The Power Source of Quasars as a result of vacuum polarization by the gravitational singularities on the distributional BHs horizon

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Journal of Physics: Conference Series 2021年第1期1730卷

作者： Jaykov Foukzon Elena R Men'kova Alexander A Potapov Department of mathematics Israel Institute of Technology Haifa 3200003 Israel All-Russian Research Institute for Optical and Physical Measurements Moscow 119361 Russia Kotelnikov Institute of Radioengineering and Electronics of the Russian Academy of Sciences Moscow 125009 Russia JNU-IREE Joint Laboratory of Fractal Method and Signal Processing Department of Electronic Engineering College of Information Science and Technology Jinan University Guangzhou People's Republic of China

In this paper we argue that the current paradigm for AGN and quasars is essentially incomplete and a rivision is needed. Remind that the current paradigm for AGN and quasars is that their radio emission is explained by synchrotron radiation from relativistic electrons that are Doppler boosted through bulk motion. In this model, the intrinsic brightness temperatures cannot exceed 1011 to 1012 K. Typical Doppler boosting is expected to be able to raise this temperature by a factor of 10. The observed brightness temperature of the most compact structures in BL Lac, constrained by baselines longer than 5.3G, must indeed exceed 2 × 1013K and can reach as high as ˜ 3 × 1014K. This is difficult to reconcile with current incoherent synchrotron emission models from relativistic electrons, requiring alternative models such as emission from relativistic protons. However the proton, as we know, is 1836 times heavier than an electron and absolutely huge energy is required to accelerated it to sublight speed. These alternative models such as emission from relativistic protons can be suported by semiclassical gravity effect finds its roots in the singular behavior of quantum fields on curved distributional space- times presented by rotating gravitational singularities.

关键词：

NTIRE 2021 Challenge on image Deblurring

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arXiv 2021年

作者： Nah, Seungjun Son, Sanghyun Lee, Suyoung Timofte, Radu Lee, Kyoung Mu Chen, Liangyu Zhang, Jie Lu, Xin Chu, Xiaojie Chen, Chengpeng Xiong, Zhiwei Xu, Ruikang Xiao, Zeyu Huang, Jie Zhang, Yueyi Xi, Si Wei, Jia Bai, Haoran Cheng, Songsheng Wei, Hao Sun, Long Tang, Jinhui Pan, Jinshan Lee, Donghyeon Lee, Chulhee Kim, Taesung Wang, Xiaobing Zhang, Dafeng Pan, Zhihong Lin, Tianwei Wu, Wenhao He, Dongliang Li, Baopu Li, Boyun Xi, Teng Zhang, Gang Liu, Jingtuo Han, Junyu Ding, Errui Tao, Guangpin Chu, Wenqing Cao, Yun Luo, Donghao Tai, Ying Lu, Tong Wang, Chengjie Li, Jilin Huang, Feiyue Chen, Hanting Chen, Shuaijun Guo, Tianyu Wang, Yunhe Zamir, Syed Waqas Arora, Aditya Khan, Salman Hayat, Munawar Khan, Fahad Shahbaz Shao, Ling Zuo, Yushen Ou, Yimin Chai, Yuanjun Shi, Lei Liu, Shuai Lei, Lei Feng, Chaoyu Zeng, Kai Yao, Yuying Liu, Xinran Zhang, Zhizhou Huang, Huacheng Zhang, Yunchen Jiang, Mingchao Zou, Wenbin Miao, Si Kim, Yangwoo Sun, Yuejin Deng, Senyou Ren, Wenqi Cao, Xiaochun Wang, Tao Suin, Maitreya Rajagopalan, A.N. Duong, Vinh Van Nguyen, Thuc Huu Yim, Jonghoon Jeon, Byeungwoo Li, Ru Xie, Junwei Han, Jong-Wook Choi, Jun-Ho Kim, Jun-Hyuk Lee, Jong-Seok Zhang, Jiaxin Peng, Fan Svitov, David Pakulich, Dmitry Kim, Jaeyeob Jeong, Jechang Department of ECE ASRI SNU Korea Republic of Computer Vision Lab ETH Zurich Switzerland University of Science and Technology of China China Megvii China Fudan University China Peking University China Netease Games AI Lab Nanjing University of Science and Technology China Guilin University of Electronic Technology China Samsung Electronics Co. Ltd Sunmoon University Asan Korea Republic of Samsung Research China Beijing China Baidu Research United States Department of Computer Vision Technology Baidu Inc China Fudan University China Megvii China Nanjing University China Tencent Noah's Ark Lab Huawei Technologies Co. Ltd Inception Institute of Artificial Intelligence Tsinghua University Beijing China North China University of Technology China Xiaomi South China University of Technology China Lab of Image Science and Technology Southeast University China China Design Group Co. Ltd China JOYY AI GROUP Fujian Normal University China Shanghai Advanced Research Institute Chinese Academy of Sciences China Institute of Information Engineering Chinese Academy of Sciences China Huawei Noah's Ark Lab Indian Institute of Technology Madras India Department of ECE Sungkyunkwan University Korea Republic of Fuzhou University China Imperial Vision Co. Ltd School of Integrated Technology Yonsei University Korea Republic of Expasoft LLC Institute of Automation and Electrometry The SB RAS Image Communication & Signal Processing Laboratory Hanyang University Korea Republic of

Motion blur is a common photography artifact in dynamic environments that typically comes jointly with the other types of degradation. This paper reviews the NTIRE 2021 Challenge on image Deblurring. In this challenge report, we describe the challenge specifics and the evaluation results from the 2 competition tracks with the proposed solutions. While both the tracks aim to recover a high-quality clean image from a blurry image, different artifacts are jointly involved. In track 1, the blurry images are in a low resolution while track 2 images are compressed in JPEG format. In each competition, there were 338 and 238 registered participants and in the final testing phase, 18 and 17 teams competed. The winning methods demonstrate the state-of-the-art performance on the image deblurring task with the jointly combined artifacts. © 2021, CC BY-NC-ND.

关键词： image enhancement

Understanding metric-related pitfalls in image analysis validation

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arXiv 2023年

作者： Reinke, Annika Tizabi, Minu D. Baumgartner, Michael Eisenmann, Matthias Heckmann-Nötzel, Doreen Kavur, A. Emre Rädsch, Tim Sudre, Carole H. Acion, Laura Antonelli, Michela Arbel, Tal Bakas, Spyridon Benis, Arriel Blaschko, Matthew B. Buettner, Florian Cardoso, M. Jorge Cheplygina, Veronika Chen, Jianxu Christodoulou, Evangelia Cimini, Beth A. Collins, Gary S. Farahani, Keyvan Ferrer, Luciana Galdran, Adrian van Ginneken, Bram Glocker, Ben Godau, Patrick Haase, Robert Hashimoto, Daniel A. Hoffman, Michael M. Huisman, Merel Isensee, Fabian Jannin, Pierre Kahn, Charles E. Kainmueller, Dagmar Kainz, Bernhard Karargyris, Alexandros Karthikesalingam, Alan Kenngott, Hannes Kleesiek, Jens Kofler, Florian Kooi, Thijs Kopp-Schneider, Annette Kozubek, Michal Kreshuk, Anna Kurc, Tahsin Landman, Bennett A. Litjens, Geert Madani, Amin Maier-Hein, Klaus Martel, Anne L. Mattson, Peter Meijering, Erik Menze, Bjoern Moons, Karel G.M. Müller, Henning Nichyporuk, Brennan Nickel, Felix Petersen, Jens Rafelski, Susanne M. Rajpoot, Nasir Reyes, Mauricio Riegler, Michael A. Rieke, Nicola Saez-Rodriguez, Julio Sánchez, Clara I. Shetty, Shravya Summers, Ronald M. Taha, Abdel A. Tiulpin, Aleksei Tsaftaris, Sotirios A. van Calster, Ben Varoquaux, Gaël Yaniv, Ziv R. Jäger, Paul F. Maier-Hein, Lena Faculty of Mathematics and Computer Science Heidelberg University Heidelberg Germany Heidelberg Division of Intelligent Medical Systems Germany NCT Heidelberg A Partnership Between DKFZ University Medical Center Heidelberg Germany Heidelberg Division of Medical Image Computing Germany Heidelberg Division of Intelligent Medical Systems Germany MRC Unit for Lifelong Health and Ageing UCL Centre for Medical Image Computing Department of Computer Science University College London London United Kingdom School of Biomedical Engineering and Imaging Science King’s College London London United Kingdom Instituto de Cálculo CONICET – Universidad de Buenos Aires Buenos Aires Argentina Centre for Medical Image Computing University College London London United Kingdom McGill University Montreal Canada Division of Computational Pathology Dept of Pathology & Laboratory Medicine Indiana University School of Medicine IU Health Information and Translational Sciences Building Indianapolis United States University of Pennsylvania Richards Medical Research Laboratories FL7 PhiladelphiaPA United States Department of Digital Medical Technologies Holon Institute of Technology Holon Israel European Federation for Medical Informatics Le Mont-sur-Lausanne Switzerland Center for Processing Speech and Images Department of Electrical Engineering KU Leuven Leuven Belgium partner site Frankfurt/Mainz a partnership between DKFZ and UCT Frankfurt Marburg Germany Heidelberg Germany Goethe University Frankfurt Department of Medicine Germany Goethe University Frankfurt Department of Informatics Germany and Frankfurt Cancer Insititute Germany Department of Computer Science IT University of Copenhagen Copenhagen Denmark Leibniz-Institut für Analytische Wissenschaften – ISAS – e.V. Dortmund Germany Imaging Platform Broad Institute of MIT and Harvard CambridgeMA United States Centre for Statistics in Medicine University of Oxford Oxford United Kingdom Center for Biomedical In

Validation metrics are key for tracking scientific progress and bridging the current chasm between artificial intelligence (AI) research and its translation into practice. However, increasing evidence shows that particularly in image analysis, metrics are often chosen inadequately. While taking into account the individual strengths, weaknesses, and limitations of validation metrics is a critical prerequisite to making educated choices, the relevant knowledge is currently scattered and poorly accessible to individual researchers. Based on a multi-stage Delphi process conducted by a multidisciplinary expert consortium as well as extensive community feedback, the present work provides the first reliable and comprehensive common point of access to information on pitfalls related to validation metrics in image analysis. While focused on biomedical image analysis, the addressed pitfalls generalize across application domains and are categorized according to a newly created, domain-agnostic taxonomy. The work serves to enhance global comprehension of a key topic in image analysis validation. © 2023, CC BY.

关键词： Computer vision

Benchmarking quality-dependent and cost-sensitive score-level multimodal biometric fusion algorithms

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arXiv 2021年

作者： Poh, Norman Bourlai, Thirimachos Kittler, Josef Allano, Lorene Alonso-Fernandez, Fernando Ambekar, Onkar Baker, John Dorizzi, Bernadette Fatukasi, Omolara Fierrez, Julian Ganster, Harald Ortega-Garcia, Javier Maurer, Donald Salah, Albert Ali Scheidat, Tobias Vielhauer, Claus Centre for Vision Speech and Signal Processing School of Electronics and Physical Sciences University of Surrey Guildford SurreyGU2 7XH United Kingdom Biometrics Center Lane Department of Computer Science and Electrical Engineering College of Engineering and Mineral Resources West Virginia University MorgantownWV26506-6109 United States Institut Telecom Telecom and Management SudParis Evry91011 France Biometric Recognition Group – ATVS Escuela Politecnica Superior Universidad Autonoma de Madrid Madrid28049 Spain Amsterdam1098 XG Netherlands Applied Physics Laboratory Johns Hopkins University LaurelMD20723 United States Electronics and Physics Department Institut Telecom Telecom and Management SudParis Evry91011 France Institute of Digital Image Processing Joanneum Research Graz8010 Austria ISLA-ISIS University of Amsterdam Amsterdam1098 XG Netherlands Department of Informatics and Media Brandenburg University of Applied Sciences Brandenburg an der HavelD-14770 Germany Research Group Multimedia and Security Department of Technical and Business Information Systems Faculty of Computer Science Otto-von-Guericke-University of Magdeburg MagdeburgD-39106 Germany

Automatically verifying the identity of a person by means of biometrics (e.g., face and fingerprint) is an important application in our day-to-day activities such as accessing banking services and security control in airports. To increase the system reliability, several biometric devices are often used. Such a combined system is known as a multimodal biometric system. This paper reports a benchmarking study carried out within the framework of the BioSecure DS2 (Access Control) evaluation campaign organized by the University of Surrey, involving face, fingerprint, and iris biometrics for person authentication, targeting the application of physical access control in a medium-size establishment with some 500 persons. While multimodal biometrics is a well-investigated subject in the literature, there exists no benchmark for a fusion algorithm comparison. Working towards this goal, we designed two sets of experiments: quality-dependent and cost-sensitive evaluation. The quality-dependent evaluation aims at assessing how well fusion algorithms can perform under changing quality of raw biometric images principally due to change of devices. The cost-sensitive evaluation, on the other hand, investigates how well a fusion algorithm can perform given restricted computation and in the presence of software and hardware failures, resulting in errors such as failure-to-acquire and failure-to-match. Since multiple capturing devices are available, a fusion algorithm should be able to handle this nonideal but nevertheless realistic scenario. In both evaluations, each fusion algorithm is provided with scores from each biometric comparison subsystem as well as the quality measures of both the template and the query data. The response to the call of the evaluation campaign proved very encouraging, with the submission of 22 fusion systems. To the best of our knowledge, this campaign is the first attempt to benchmark quality-based multimodal fusion algorithms. In the presence of changing

关键词： Benchmarking