270078 Advanced Chemometrics

Details
Responsible DepartmentDepartment of Food Science

Earliest Possible YearMSc. 1 year to MSc. 2 year
DurationOne block
 
Credits7.5 (ECTS)
 
Level of CourseMSc
 
ExaminationFinal Examination

written examination and oral examination


All aids allowed

Description of Examination: The students will hand in a written group report in due time before the oral examination. At the individual oral examination the students will be examined in the report as well as the examination requirements.

Weight: Oral examination in project report and in the examination requirements 100%



7-point scale, internal examiner
 
Organisation of TeachingLectures (25%), exercises (25%), colloquia (5%), project work (45%)
 
Block PlacementBlock 2
Week Structure: A
 
Language of InstructionEnglish
 
Optional Prerequisites270006 Exploratory Data Analysis / Chemometrics
 
Restrictions50
 
Course Content
Basic chemometric methods like PCA and PLS are useful tools in data analysis but in many data analytical problems more advanced methods are necessary to solve the problems.

The methods studied in this course will be selected from these main topics: Data preprocessing methods, variable selection methods, clustering and classification techniques, calibration transfer methods, non-linear regression and multi-way methods.

Computer exercises on real data using commercial software are an integrated part of the course.

It is expected that the student have competences corresponding to the course Exploratory Data Analysis / Chemometrics.
 
Teaching and learning Methods
The students will be introduced to the theory through lectures and seminars. The students will work in groups on a data analytical problem using the taught algorithms and software to analyse the problem. The students can bring their own data analytical problems to work on; this requires that the course teachers consider the data as suitable to illustrate the taught methods. The results are presented in a written report which is orally defended at the end of the course.
 
Learning Outcome
The course introduces advanced chemometric methods and their use on different kinds of multivariate data of relevance for research and development.

After completing the course the student should be able to:

Knowledge:
Summarize basic chemometric methods
Describe advanced chemometric methods for multivariate (clustering, classification and regression) and multi-way data analysis
Describe advanced techniques for data pre-preprocessing
Describe advanced methods for variable selection

Skills:
Apply theory on real life data analytical cases
Apply commercial software for data analysis
Report in writing a full data analysis of a given problem including all aspects presented under Knowledge.

Competences:
Discuss advantages and drawback of advanced methods
Present reading material for a group of peers
 
Course Literature
See course web-site.

Scientific papers, book chapters and course notes.
 
Course Coordinator
Rasmus Bro, rb@life.ku.dk, Department of Food Science/Quality and Technology, Phone: 353-33296
Franciscus Winfried J van der Berg, fb@life.ku.dk, Department of Food Science/Quality and Technology, Phone: 353-33545
 
Study Board
Study Committee LSN
 
Work Load
lectures21
theoretical exercises30
Colloquia21
project work70
Excursions8
preparation48
examination8

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