Towards High-dimensional Data Analysis in Air Quality Research
Analysis of chemical constituents from mass spectrometry of aerosols involves non‐negative matrix factorization, an approximation of high‐dimensional data in lower‐dimensional space. The associated optimization problem is non‐convex, resulting in crude approximation errors that are not accessible to...
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| Published in | Computer graphics forum Vol. 32; no. 3pt1; pp. 101 - 110 |
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| Main Authors | , , , , , , , |
| Format | Journal Article |
| Language | English |
| Published |
Oxford, UK
Blackwell Publishing Ltd
01.06.2013
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| Subjects | |
| Online Access | Get full text |
| ISSN | 0167-7055 1467-8659 |
| DOI | 10.1111/cgf.12097 |
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| Abstract | Analysis of chemical constituents from mass spectrometry of aerosols involves non‐negative matrix factorization, an approximation of high‐dimensional data in lower‐dimensional space. The associated optimization problem is non‐convex, resulting in crude approximation errors that are not accessible to scientists. To address this shortcoming, we introduce a new methodology for user‐guided error‐aware data factorization that entails an assessment of the amount of information contributed by each dimension of the approximation, an effective combination of visualization techniques to highlight, filter, and analyze error features, as well as a novel means to interactively refine factorizations. A case study and the domain‐expert feedback provided by the collaborating atmospheric scientists illustrate that our method effectively communicates errors of such numerical optimization results and facilitates the computation of high‐quality data factorizations in a simple and intuitive manner. |
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| AbstractList | Analysis of chemical constituents from mass spectrometry of aerosols involves non‐negative matrix factorization, an approximation of high‐dimensional data in lower‐dimensional space. The associated optimization problem is non‐convex, resulting in crude approximation errors that are not accessible to scientists. To address this shortcoming, we introduce a new methodology for user‐guided error‐aware data factorization that entails an assessment of the amount of information contributed by each dimension of the approximation, an effective combination of visualization techniques to highlight, filter, and analyze error features, as well as a novel means to interactively refine factorizations. A case study and the domain‐expert feedback provided by the collaborating atmospheric scientists illustrate that our method effectively communicates errors of such numerical optimization results and facilitates the computation of high‐quality data factorizations in a simple and intuitive manner. Analysis of chemical constituents from mass spectrometry of aerosols involves non-negative matrix factorization, an approximation of high-dimensional data in lower-dimensional space. The associated optimization problem is non-convex, resulting in crude approximation errors that are not accessible to scientists. To address this shortcoming, we introduce a new methodology for user-guided error-aware data factorization that entails an assessment of the amount of information contributed by each dimension of the approximation, an effective combination of visualization techniques to highlight, filter, and analyze error features, as well as a novel means to interactively refine factorizations. A case study and the domain-expert feedback provided by the collaborating atmospheric scientists illustrate that our method effectively communicates errors of such numerical optimization results and facilitates the computation of high-quality data factorizations in a simple and intuitive manner [PUBLICATION ABSTRACT]. |
| Author | Hoepel, F. Engel, D. Wexler, A. Hamann, B. Garth, C. Hummel, M. Bein, K. Hagen, H. |
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| References_xml | – reference: Wand M. P. , Jones M. C. : Kernel Smoothing , vol. 60 . Chapman & Hall/CRC , 1995 . 6 . – reference: Hurley N. , Rickard S. : Comparing measures of sparsity . IEEE Transactions on Information Theory 55 , 10 ( 2009 ), 4723 - 4741 . 5 . – reference: Stump G. , Lego S. , Yukish M. , Simpson T. W. , Donndelinger J. A. : Visual steering commands for trade space exploration: User-guided sampling with example . Journal of Computing and Information Science in Engineering 9 , 4 ( 2009 ), 044501 . 2 . – reference: Elmqvist N. , Dragicevic P. , Fekete J.-D. : Rolling the dice: Multidimensional visual exploration using scatterplot matrix navigation . IEEE Transactions on Visualization and Computer Graphics 14 ( 2008 ), 1141 - 1148 . 2 . – reference: Ferdosi B. J. , Roerdink J. B. T. M. : Visualizing high-dimensional structures by dimension ordering and filtering using subspace analysis . Comput. Graph. Forum 30 , 3 ( 2011 ), 1121 - 1130 . 2 . – reference: Ward M. O. , Grinstein G. , Keim D. A. : Interactive Data Visualization: Foundations, Techniques, and Application . A. K. Peters, Ltd , 2010 . 2 . – reference: Inselberg A. : Parallel Coordinates . Springer , 2009 . 2 . – reference: Waser J. , Fuchs R. , Ribicic H. , Schindler B. , Blöschl G. , Gröller E. : World lines . IEEE Transactions on Visualization and Computer Graphics 16 , 6 ( 2010 ), 1458 - 1467 . 2 . – reference: Laramee R. S. , Garth C. , Doleisch H. , Schneider J. , Hauser H. , Hagen H. : Visual analysis and exploration of fluid flow in a cooling jacket . In In Proceedings IEEE Visualization 2005 ( 2005 ), pp. 623 - 630 . 2 . – reference: Weber G. , Bremer P.-T. , Pascucci V. : Topological landscapes: A terrain metaphor for scientific data . Visualization and Computer Graphics, IEEE Transactions on 13 , 6 ( Nov.Dec. 2007 ), 1416 - 1423 . 2 . – reference: Zelenyuk A. , Imre D. , Nam E. J. , Han Y. , Mueller K. : Clustersculptor: Software for expert-steered classification of single particle mass spectra . International Journal of Mass Spectrometry 275 , 1-3 ( 2008 ), 1 - 10 . 2 . – reference: Kim E. , Brown S. G. , Hafner H. R. , Hopke P. K. : Characterization of non-methane volatile organic compounds sources in houston during 2001 using positive matrix factorization . Atmospheric Environment 39 , 32 ( 2005 ), 5934 - 5946 . 2 . – reference: Paulovich F. , Eler D. , Poco J. , Botha C. , Minghim R. , Nonato L. : Piece wise laplacian-based projection for interactive data exploration and organization . Computer Graphics Forum 30 , 3 ( 2011 ), 1091 - 1100 . 2 . – reference: Engel D. , Greff K. , Garth C. , Bein K. , Wexler A. S. , Hamann B. , Hagen H. : Visual steering and verification of mass spectrometry data factorization in air quality research . IEEE Trans. Vis. Comput. Graph. 18 , 12 ( 2012 ), 2275 - 2284 . 1, 2 . – reference: Comon P. , Jutten C. : Handbook of Blind Source Separation: Independent Component Analysis and Applications , 1st ed. Academic Press , 2010 . 2 . – reference: Ingram S. , Munzner T. , Olano M. : Glimmer: Multilevel mds on the gpu . IEEE Transactions on Visualization and Computer Graphics 15 , 2 ( 2009 ), 249 - 261 . 2 . – reference: Jänicke H. , Böttinger M. , Scheuermann G. : Brushing of attribute clouds for the visualization of multivariate data . IEEE Transactions on Visualization and Computer Graphics 14 , 6 ( 2008 ), 1459 - 1466 . 2 . – reference: Lipsky E. , Robinson A. : Design and evaluation of a portable dilution sampling system for measuring fine particle emissions from combustion systems . Aerosol Science and Technology 39 , 6 ( 2005 ), 542 - 553 . 8 . – volume: 39 start-page: 542 issue: 6 year: 2005 end-page: 553 article-title: Design and evaluation of a portable dilution sampling system for measuring fine particle emissions from combustion systems publication-title: Aerosol Science and Technology – volume: 9 start-page: 044501 issue: 4 year: 2009 article-title: Visual steering commands for trade space exploration: User‐guided sampling with example publication-title: Journal of Computing and Information Science in Engineering – year: 2009 – volume: 14 start-page: 1141 year: 2008 end-page: 1148 article-title: Rolling the dice: Multidimensional visual exploration using scatterplot matrix navigation publication-title: IEEE Transactions on Visualization and Computer Graphics – volume: 55 start-page: 4723 issue: 10 year: 2009 end-page: 4741 article-title: Comparing measures of sparsity publication-title: IEEE Transactions on Information Theory – volume: 60 year: 1995 – year: 2003 – start-page: 17 year: 2005 end-page: 2 – start-page: 113 year: Mar. 2010 end-page: 120 – year: 2010 – volume: 39 start-page: 5934 issue: 32 year: 2005 end-page: 5946 article-title: Characterization of non‐methane volatile organic compounds sources in houston during 2001 using positive matrix factorization publication-title: Atmospheric Environment – start-page: 1938 year: 2010 end-page: 1941 – start-page: 51 year: 2009 end-page: 58 – volume: 30 start-page: 1091 issue: 3 year: 2011 end-page: 1100 article-title: Piece wise laplacian‐based projection for interactive data exploration and organization publication-title: Computer Graphics Forum – start-page: 25 year: 2012 end-page: 32 – year: 2008 – start-page: 556 year: 2000 end-page: 562 – volume: 275 start-page: 1 issue: 1–3 year: 2008 end-page: 10 article-title: Clustersculptor: Software for expert‐steered classification of single particle mass spectra publication-title: International Journal of Mass Spectrometry – start-page: 127 year: 2002 end-page: 130 – volume: 16 start-page: 1458 issue: 6 year: 2010 end-page: 1467 article-title: World lines publication-title: IEEE Transactions on Visualization and Computer Graphics – volume: 18 start-page: 2275 issue: 12 year: 2012 end-page: 2284 article-title: Visual steering and verification of mass spectrometry data factorization in air quality research publication-title: IEEE Trans. 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Forum – volume: 15 start-page: 249 issue: 2 year: 2009 end-page: 261 article-title: Glimmer: Multilevel mds on the gpu publication-title: IEEE Transactions on Visualization and Computer Graphics – volume: 2005 start-page: 623 year: 2005 end-page: 630 article-title: Visual analysis and exploration of fluid flow in a cooling jacket publication-title: In Proceedings IEEE Visualization – volume: 14 start-page: 1459 issue: 6 year: 2008 end-page: 1466 article-title: Brushing of attribute clouds for the visualization of multivariate data publication-title: IEEE Transactions on Visualization and Computer Graphics – volume: 13 start-page: 1416 issue: 6 year: Nov.Dec. 2007 end-page: 1423 article-title: Topological landscapes: A terrain metaphor for scientific data publication-title: Visualization and Computer Graphics, IEEE Transactions on – ident: e_1_2_8_21_2 doi: 10.1115/1.3243633 – ident: e_1_2_8_16_2 doi: 10.1080/027868291004850 – ident: e_1_2_8_27_2 – ident: e_1_2_8_12_2 doi: 10.1109/INFOVIS.2005.30 – ident: e_1_2_8_22_2 doi: 10.1109/TVCG.2007.70601 – volume-title: Handbook of Blind Source Separation: Independent Component Analysis and Applications year: 2010 ident: e_1_2_8_3_2 – ident: e_1_2_8_25_2 doi: 10.1007/978-1-4899-4493-1 – ident: e_1_2_8_8_2 doi: 10.1109/TIT.2009.2027527 – ident: e_1_2_8_28_2 doi: 10.1016/j.ijms.2008.04.033 – ident: e_1_2_8_6_2 doi: 10.1111/j.1467-8659.2011.01961.x – volume-title: Interactive Data Visualization: Foundations, Techniques, and Application year: 2010 ident: e_1_2_8_24_2 – ident: e_1_2_8_11_2 doi: 10.1109/TVCG.2008.116 – ident: e_1_2_8_2_2 doi: 10.1109/VAST.2009.5332611 – ident: e_1_2_8_19_2 doi: 10.1111/j.1467-8659.2011.01958.x – volume: 2005 start-page: 623 year: 2005 ident: e_1_2_8_15_2 article-title: Visual analysis and exploration of fluid flow in a cooling jacket publication-title: In Proceedings IEEE Visualization – ident: e_1_2_8_9_2 doi: 10.1109/TVCG.2008.85 – ident: e_1_2_8_26_2 doi: 10.1109/ICASSP.2010.5495308 – ident: e_1_2_8_10_2 doi: 10.1007/978-0-387-68628-8 – ident: e_1_2_8_5_2 doi: 10.1109/TVCG.2012.280 – ident: e_1_2_8_14_2 – ident: e_1_2_8_7_2 – ident: e_1_2_8_13_2 doi: 10.1016/j.atmosenv.2005.06.045 – start-page: 556 volume-title: In NIPS year: 2000 ident: e_1_2_8_17_2 – ident: e_1_2_8_18_2 doi: 10.1109/PACIFICVIS.2010.5429601 – ident: e_1_2_8_4_2 doi: 10.1109/TVCG.2008.153 – ident: e_1_2_8_20_2 doi: 10.1109/PacificVis.2012.6183570 – ident: e_1_2_8_23_2 doi: 10.1109/TVCG.2010.223 |
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| SubjectTerms | Analysis Approximation Assessments Atmospheric aerosols Atmospherics Chemicals Computer graphics Environmental monitoring Error analysis Factorization I.5.5 [Pattern Recognition]: Design Methodology-Feature evaluation and selection Mathematical analysis Optimization Outdoor air quality Scientists Studies |
| Title | Towards High-dimensional Data Analysis in Air Quality Research |
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