Past events
Read more about our past events below.
Talk by Kai Puolamäki: Explainable and robust AI for the VILMA virtual laboratory

Monday, January 16, 2023
14:00-15:00
Place of Seminar: Kumpula, Exactum D122 (in person) & Zoom (Meeting ID: 640 5738 7231 ; Passcode: 825217)

Associate Professor Kai Puolamäki will give a talk in the Machine Learning Coffee Seminar of the Finnish Center for Artificial Intelligence (FCAI).

Abstract: I will provide an overview of our new Virtual Laboratory for Molecular Level Atmospheric Transformations (VILMA) Centre of Excellence and discuss why explainable AI (XAI) and quantifying uncertainties is essential for us. As an example of our ongoing work, I will describe SLISEMAP, a supervised manifold visualisation method, a technique for XAI developed by us that finds local explanations for all data items. SLISEMAP produces (typically) two-dimensional global visualisation of the black box model such that data items with similar local explanations will be embedded nearby.
CECAM workshop Hvittorp 29.-30.9.2022

 

 

Researchers of Centre of Excellence: The Virtual Laboratory for Molecular Level Atmospheric Transformations gathered in Hvittorp, Kirkkonummi for the first joint workshop of the Centre of Excellence to discuss current and future research collaboration. We thank CECAM-FI for supporting the workshop.

Thursday, 29.9.2022

09:00 Hotel is open

11:30-12:00 Workshop opening

12:00-13:00 Lunch

13:00-14:40

  • 1. Theo Kurtén: “Chemical complexity – and simplifying features – of atmospheric (aut)oxidation” 
  • 2. Rashid Valiev: “Machine learning of intersystem crossing rates for radical clusters”
  • 3. Matti Rissanen: "Building database for machine learning mass spectrometry & semi-empirical oxidation model construction"
  • 4. Shawon Barua & Prasenjit Seal: "H-shift reactions in hexanal and several acylperoxy radicals: from theory predictions to laboratory determination"
  • 5. Kari Lehtinen: “Overview of activities of the team”

14:40-15:00 Coffee Break

15:00-16:40

  • 6. Ville Haapasilta: “From an academic scientist to an industrial scientist.”
  • 7. Arkke Eskola: “Overview of Research in the Reaction Kinetics Laboratory: Ongoing and Potential Cooperation”
  • 8. Jari Peltola: “Time-resolved broadband cavity-enhanced absorption spectrometer for direct reaction kinetic studies of stable Criegee Intermediates”
  • 9. Patrick Rinke: "First steps in machine learning for atmospheric science"
  • 10. Kunal Ghosh: "Assessing the potential of active learning for curating and exploring molecular datasets"

17:00-17:45 Dinner

18:00-19:30

  • 11. Bernhard Reischl: “Transforming computational aerosol physics through machine learning approaches”
  • 12. Vitus Besel: "Curation of big data for atmospheric science”
  • 13. Runlong Cai: "The proper view of cluster free energy in nucleation theories : Survival probability of atmospheric new particles: closure between theory and measurements from 1.4 to 100 nm"
  • PI-session, preparing for SAB meeting

19.30 Evening snacks served

20:00-23:00 Sauna

  • 20–21 male sauna
  • 21–22 female sauna
  • 22–23 mixed sauna

Friday, 30.9.2022

08:00-09:00 Breakfast

09:00-10:40

  • 14. Juha Kangasluoma: "Aerosol bipolar charging, online thermal desorption measurement of particle phase composition, isomers of semivolatile VOCs"
  • 15. Nina Sarnela: “Current status of CI-APi-TOF calibrations”
  • 16.  Jiali Shen: “Importance of quantitative data in field studies and recent results from Br-CIMS calibrations”
  • 17. Kai Puolamäki: "Machine learning building blocks the virtual laboratory"

10:40-11:00 Morning Coffee

11:00-12:00

  • 18. Anton Björklund: "SLISEMAP: supervised dimensionality reduction through local explanations"
  • 19. Mitchell Alton: “Towards accurately deconvoluting FIGAERO thermograms: Current progress and roadblocks”

12:00-13:00 Lunch Break, Group picture outside

13:00-14:00 Hike or transport to Hvitträsk museum

14:00-15:00 Guided tour at Hvitträsk museum

15:00-16:00 Hike or transport back to hotel

16:00 Official end of workshop

Theo Kurten
Rashid Valiev
Lauri Franzon
Galib Hasan
Vili Salo
Thomas Golin Almeida
Christopher Daub
Patrick Rinke
Kunal Ghosh
Hilda Sandström
Arkke Eskola
Jari Peltola
Timo Pekkanen
Matti Rissanen
Shawon Barua
Prasenjit Seal
Mitchell Alton
Aki Nissinen
Juha Kangasluoma
Runlong Cai
Ella Häkkinen
Kai Puolamäki
Anton Björklund
Līva Freimane
Nina Sarnela
Jiali Shen
Kari Lehtinen
Hanna Vehkamäki
Bernhard Reischl
Stephen Ingram
Vitus Besel
Ivo Neefjes
Nanna Myllys
Laura Kippola
Nino Runeberg, CSC
Ville Haapasilta, Siili