This is a Task Force of Intelligent Systems Applications Technical Committee of the IEEE Computational Intelligence Society

 Purpose and Scope

The purpose of the Task Force on Computational Intelligence for Chemometrics and Chemical Sensing is to promote the research, development, education and understanding of computational intelligence methods in application areas requiring the collection, processing and interpretation of measurement data from chemical sensors and analytical instruments.

Rationale

Chemometrics and Chemical Sensing deal with the application of various computational techniques to chemical measurement problems. Chemical analysis and measurement are among the most challenging problems today in measurement science. The number of chemical species of environmental, industrial and clinical interest is huge. There is a large variety of spectroscopic techniques (mass spectroscopy, optical spectroscopy (infrared, optical, UV, NDIR, Raman….), ion mobility spectroscopy, etc.), each with its own characteristics. Additionally, chemical instruments fitted with chemical sensor arrays or biosensors are also of increasing scientific and technical interest. Chemometrics uses today a mix of statistical and computational intelligence techniques (neural networks, evolutionary algorithms, machine learning…).

Existing Publications

 Scientific results are mainly published in Chemometrics and Intelligent Laboratory Systems, Analytica Chimica Acta, Sensors & Actuators B-Chemical, Journal of Chemometrics,  Applied Spectroscopy and in various other journals dealing with specific techniques or application domains such as Journal of Chromatography (A and B) or Food Chemistry. No IEEE journal publication appears to be very active in this domain, although occasionally some related papers appear in IEEE Transactions on Signal Processing, IEEE Transactions on Biomedical Engineering or IEEE Sensors Journal. A leading conference is Chemometrics in Analytical Chemistry, which every two years draws several hundred researchers working on the analysis of –omics data (proteomics, metabollomics), statistical multivariate signal processing, computational intelligence methods, robust statistical methods, industrial, environmental and clinical applications. On the IEEE side, contributions on chemometrics also appear scattered among diverse conferences such as Intelligent Control and Automation, Image and Signal Processing, IEEE Sensors, etc.

Technical Community

The technical community includes mostly engineers working in the process industry (petrochemical, paper, pharmaceutical), food industry, but also environmental monitoring, chemical exposure safety (toxic chemicals) and Security applications (detection of explosives, narcotics and illicit substances). There is also an important community of statisticians and computer scientists working on chemometrics software development for industrial users and analytical laboratories.  The technical community also includes engineers working on multivariate process control, including fault detection, identification and diagnosis. In the last few years there has been a rapid increase in the application of chemometrics techniques to metabolomics and proteomics, in particular to the analysis of mass spectroscopy and nuclear magnetic resonance data.

Chemometrics and Smart Chemical Sensorsing appears to be dominated by analytical chemists and chemical engineers, with limited presence of electrical engineers and computer scientists, except those who are involved in multidisciplinary research at the interface between measurement science, instrumentation, signal processing, and computational intelligence.

Activities

The objectives of this task force are to increase the visibility of computational intelligence techniques in areas related to chemical measurement, and to organize a community of researchers who currently are too dispersed.  For this purpose, we propose to organize special sessions for CIS-sponsored conferences, participate in paper reviewing and selection, and identify keynote speakers and potential book authors. Technical excellence and engineering relevance will be the main criteria for this task force.

Computational Intelligence Applications and Techniques

• Analysis of –omics data: Variable/feature selection, identification of biomarkers by evolutionary algorithms, analysis of data in high dimensional species, clustering, knowledge discovery.
• Signal preprocessing and data processing: Peak alignment, baseline correction, filtering, non-linearity compensation, model validation under small sample conditions, uncertainty estimators, drift correction, outlier detection, robust methods, missing data
• Inclusion of prior knowledge: Bayesian methods, model optimization with constraints, hard-modeling techniques
• Industrial applications: process analytical technologies, multivariate process control, experimental design, calibration transfer, recalibration procedures.
• Dimensionality reduction: Principal components analysis, Partial Least Squares-Discriminant Analysis PLS-DA, Fisher discriminant analysis, independent component analysis, non-negative matrix factorization, manifold tchniques
• Predictive methods: Multi-way methods, partial least squares, support vector machines, classification and regression trees (CART), random forests, neural networks, statistical classifiers.
• Computational Intelligence in Embedded Platforms: Integration of Computational Solutions in Field Programmable Gate Arrays (FPGA), Microcontroller, Digital Signal Processors and Embedded PCs.

Task Force Chair

Dr. Santiago Marco,

Medical Signals and Instrumentation, Institute for BioEngineering of Catalonia

Baldiri I Rexach 4-6, Barcelona, SPAIN

Department of Electronics, University of Barcelona

Martí I Franqués 1, 0820-Barcelona

e-mail: smarco@ibecbarcelona.eu, Santiago.marco@ub.edu

http://www.ibecbarcelona.eu/artificial_olfaction

Task Force Vice-Chairs

Dr. Ricardo Gutierrez-Osuna

520A H.R. Bright Building
Department of Computer Science
Texas A&M University
College Station, TX 77843-3112

EMAIL: rgutier[at]cse.tamu.edu

http://research.cs.tamu.edu/prism/ 

 Ing. Saverio de Vito

Ente Nuove Tecnologie, Energia e Ambiente 
Centro Ricerche Portici 
Via Vecchio Macello s.n.c. 
80055 Portici Naples, ITALY 
E-mail : saverio.devito @ portici.enea.it

http://www.afs.enea.it/devito/ 

 Task Force Members

•  Prof. Roma Tauler, CSIC, Barcelona Spain (rtaqam@iiqab.csic.es)
•  Prof. Rasmus Bro, University of Copenhagen, Denmark (rb@life.ku.dk)
•  Prof. Ramon Huerta, UCSD, USA (rhuerta@ucsd.edu)
•  Prof. Julian Gardner, University of Warwick, UK (J.W.Gardner@warwick.ac.uk)
• Dr. Barani Raman, Washington University in St. Louis, USA (barani@seas.wustl.edu)
•  Prof. Corrado di Natale, University of Rome “Tor Vergata”, Italy (dinatale@eln.uniroma2.it)
• Prof. Takamichi Nakamoto, Tokyo University of Technology, Japan (nakamoto@mn.ee.titech.ac.jp)
•  Dr. Achim Lilienthal, Orebro University, Sweden (achim.lilienthal@oru.se)
• Dr. Hiroshi Ishida, Tokyo University of Agriculture and Technology, Japan (h_ishida@cc.tuat.ac.jp)
•  Prof. Hyung-Gi Byun, Kangwon National University, Korea (byun@kangwon.ac.kr)
• Prof. Andreas Schuetze, University of Saaeland, Germany.   (schuetze@lmt.uni-saarland.de)
• Dr. Matteo Falasconi, University of Brescia, Italy, ( falasconi@ing.unibs.it )  
• Dr. Eugenio Martinelli, University of Rome "  Tor Vergata" , Rome, Italy (  martinelli@ing.uniroma2.it)
• Dr. Agustin Gutierrez, University of Barcelona, Spain   (  agutierrez@el.ub.es) 
• Dr. Susan Rose-Pehrsson,  Navy Reseach Lab, USA ( susan.rosepehrsson@nrl.navy.mil) 
• Dr. Jan Mitrovics, JLM Innovation, Tuebingen, Germany (jan.mitrovics@jlm-innovation.de)
• Prof. Eduard Llobet, Universitat Rovira i Virgili, Spain (eduard.llobet@urv.cat)
• Dr. Conrad Bessant, University of Cranfield, UK (  c.bessant@cranfield.ac.uk)
• Dr. Cheryl Surman, General Electric,  USA ( surman@crd.ge.com  )