Chemometrics is a well-established sub-discipline within data science typically involving applications in the fields of analytical chemistry, omics and industrial process control. Our goal is to move the chemometrics community one step closer to the Danish Data Science community and we see great potential to do so at the D3A conference. Our workshop concept focuses on participant engaging activities, but also includes an introductory talk, as well as concluding remarks.

We wish to attract participants from across the field of the Danish Data Science community, especially those who are not familiar with the domain of chemometrics in order to make cross- disciplinary impact. We will apply elements of gamification to make sure that participants from other data science disciplines will gain easy access to the presented problems.

Program

Format: Problem-solving game in groups of four (max. 10 groups, 40 participants). Total duration is 90 min.

Introduction (15 min) – Common challenges in spectroscopic data analysis from an industrial perspective.

Interactive session (60 min) – Groups work on a problem in a gamified context. The problem-solving activity consists in classifying a deck of cards, each card containing data measured on a specific set of samples.

1. Problem presentation and evaluation criteria (5 min)
2. Group work (25 min)
3. Evaluation using second deck of cards, validation set (10 min)
4. Group presentation of results and model performance evaluation (15 min)
5. First price (5 min)

Concluding remarks (15 min) – Comments to game and link to industrial applications

Organizers

This session is co-organized by members of the Chemometrics and machine learning group at University of Copenhagen and DSK (Dansk Selskab for Kemometri, the Danish Chemometrics Society).

• Beatriz Quintanilla Casas, Postdoc, KU – DDSA fellow
• Åsmund Rinnan, Associate Professor, KU. Board member of DSK
• Oksana Mykhalevych, Industrial PhD Candidate, KU – CP Kelco
• Morten Arendt Rasmussen, Full professor, KU
• Giorgio Tomasi, Associate Professor, KU
• Andreas Baum, associate professor, DTU. Board member of DSK
• Thomas Skov, Team manager, Novonesis. Board member of DSK

Level

Introductory