IV зимний симпозиум по хемометрике 15—18 февраля, 2005, Москва (Черноголовка), Россия
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Современные методы анализа многомерных данных

Report: WSC-4 (Fourth Winter Symposium on Chemometrics)

The fourth regular event in the Drushbametrics (friendship-metrics) program, WSC-4, took place in Chernogolovka, Russia, February 15-18, 2005. Beginning with this conference, these meetings have been renamed "Winter Symposium on Chemometrics" from "Winter School on Chemometrics".The WSC is now primarily a place for presenting new ideas and having fruitful discussions in friendly informal atmosphere. The educational part of the Drushbametrics mission was maintained by providing a school for beginners prior to the symposium. The main goal of Drushbametrics is to provide an opportunity for young scientists to make their first steps in chemometrics, as well as to meet leading scientist in this field.

Chernogolovka is a small town near Moscow that was founded in the 1960s by Nikolay Semenov, a Noble Prize winner and the head of the Institute for Chemical Physics (ICP). Initially established as a campus for a new branch of ICP, Chernogolovka grew into a real "science city" with over 20,000 inhabitants, consolidating a number of institutes for natural sciences, during the next two decades. The ICP subsidiary has become an independent institution, the Institute for Problems of Chemical Physics (IPCP), which hosted WSC-4.

More than 50 scientists from Austria, Belgium, Denmark, England, Spain, USA, and Russia participated in WSC-4. Each session consisted of one lecture and two or more contributed talks. The invited lectures were devoted primarily to the theoretical problems of modeling and their applications in wide scientific and industrial areas. Vladimir Razumov, deputy director of IPCP, gave the opening lecture, "Principal component analysis in photochemistry". Roma Tauler raised some interesting questions concerning relations between hard and soft modeling and gave an introduction to using grey modeling for investigation of chemical processes. Agnar Hoskuldsson lectured on the Heisenberg principle of mathematical modeling. Alexey Pomerantsev illustrated the core principles of Simple Interval Calculation with simple and vivid examples. Kurt Varmuza presented very interesting results of using multivariate methods of exploration and classification from archaeometry and space science. John Kalivas spoke about defining model complexity in different modeling methods. Juan Fernandez Pierna gave an overview for estimation the uncertainty in multivariate calibration. Finally Oleg Karpukhin shared his philosophical reasoning about the past, present, and future of chemometrics and its role in science.

The Elsevier and Wiley publishing companies provided sample issues of "Journal of Chemometrics" and "Chemometrics and Intelligent Laboratory Systems" for participants, which were eagerly received by the younger attendees. Elsevier also provided a special prize for the best oral or poster presentation by a young Russian scientist at WSC-4. The 20th volume of Data Handling in Science and Technology series - "Handbook of Chemometrics and Qualimetrics, Part A" - was presented to Sergei Zhilin from Altai State University, Barnaul, Russia for his talk "Simple Method for Outlier Detection In Fitting Experimental Data Under Interval Error". Agnar Hoskuldsson who presented prize to the winner expressed hopes that this opportunity will help Sergei to enrich new science horizons.

On Thursday attendees had a chance to visit Gagarin's Cosmonaut Training Center in the Star City. This excursion, which began at the Yuri Gagarin monument, the place where cosmonauts get together after returning from space, was very imposing. The unique centrifuge, "MIR" station simulator, and the neutral buoyancy simulator were the most popular areas shown to participants.

"Introduction to multivariate data analysis methods", the school for beginners, was also held at ICPC, 13-14 February. A total of 38 attendees, mainly from Russia and Ukraine, took part in the school. The program included lectures on PCA, PLS and multivariate classification. Attendees also had the opportunity to try out these methods with the UNSCRAMBLER software. Finally, Alexey Pomerantsev gave an overview of multivariate data analysis in different scientific and industrial areas. All attendees received Camo's book "Multivariate Data Analysis in Practice", written by Kim Esbensen in short translation edited by Oxana Ye. Rodionova.

Opinion of the participants:

Roma Tauler, Institute of Chemistry and Environmental Research

"This meeting has been for me a very interesting experience. I could know for the first time a good group of young russian scientists very much interested in the field of chemometrics who will sure contribute significantly to this field in the very near future. Also I enjoyed the organization and the experience of being there in the winter."

Andrey Bogomolov, Russian Chemometrics Society

"The WSC-4 symposium was a noticeable event in the life of my city. Its success was, in many respects, possible due to the energy and efforts of people from the Institute of Problems of Chemical Physics. Also, I would like to note high technical level and excellent facilities provided by the institute during the symposium sessions and preceding two-day chemometrics school. Thank you!"

Artem Sidelnikov, Bashkir State University

"This year I participated in WSC school & symposium for the first time. I would like to note that the symposium gave me a chance to communicate with scientists whose achievements I had studied and used for PhD research. I got a great positive charge of knowledge and confidence, which are highly useful for the investigation of novel scientific approaches.

I want to appreciate the organizing committee Kim Esbensen, Alexey Pomerantsev, Oxana Rodionova, Vladimir Razumov, Sergei Kucheryavski, Andrey Bogomolov, Lev Gribov, Kurt Varmuza. Thank you for the organization of the symposium; actually, your united efforts help to set up the special atmosphere of team-work, collaboration of colleagues from different countries, atmosphere where new ideas appear and all-important scientific communications establish. Undoubtedly your work gains its object. And I would be pleased to assist you in organization of the next WSC meeting."

The next Drushbametrics event, WSC-5, will take place in Samara on the bank of Volga river during February 2005. As usual, the organizers plan a balanced formal and informal scientific program in addition to cultural and social activities.