Book of Abstracts

Sunday June 16th

  • 17:00 – 18:30 Registration

Monday June 17th

  • 08:30 – 12:00 Registration
  • 09:00 Tutorial Sessions (parallel):
    • Chemometrics for Spectroscopy – Tom Fearn – University College London
    • Process Modelling – Frank Westad – Camo and Norwegian University of Science and Technology
    • -omics – Johan Westerhuis – University of Amsterdam
  • 11:30 Lunch
  • 12:45 Start of Conference
  • 13:00 Session 1: Chemometrics for process modelling/control/monitoring. Chair: Harald Martens
  • 13:00 – 14:00 Invited speaker: Frans van den Berg – University of Copenhagen: “Process chemometrics for dynamic systems”
    • Discussant: Frank Westad – Camo and Norwegian University of Science and Technology
    • 14:00 – 14:20 Contributed paper
      • Geert H. van Kollenburg – Understanding chemical production processes through PLS path modelling
  • 14:20 – 15:00 Coffee
  • 15:00 Session 1 continues
    • 15:00 – 15:40 Contributed papers
      • 15:00 – 15:20 Noemí Marta Fuentes-García – PARAMO: Enhanced Data Pre-processing in Batch Multivariate Statistical Process Control
      • 15:20 – 15:40 Ewa Szymańska – Embracing seasonal variation in milk composition in feed-forward control of cheese production process
  • 15:40 Session 2: Spectroscopy. Chair: Alberto Ferrer
    • 15:40 – 16:20 Contributed papers
      • 15:40 – 16:00 Ali Gahkani – t-SNE for Visualization of Spectroscopic Data
      • 16:00 – 16:20 Shuxia Guo – Towards a Fast and Automatic Analysis of Fluorescence Lifetime Imaging Microscopy (FLIM) Data
  • 16:20 – 16:40 Coffee
  • 16:40 Session 2 continues
    • 16:40 – 18:00 Contributed papers
      • 16:40 – 17:00 Carl Emil Eskildsen – Correcting Inner Filter Effects in Fluorescence Measurements
      • 17:00 – 17:20 Marta Bevilacqua – Front Face fluorescence and PARAFAC for fine interpretation of protein modification: how far can we go?
      • 17:20 – 17:40 Andreas Baum – The potential of FTIR and PARAFAC–PCA analysis for quantification and subsequent comparison of enzyme activities originating from different origins
      • 17:40 – 18:00 Nils Kristian Afseth – Hierarchical modeling in high-resolution spectroscopy – prediction of average molecular weights of protein hydrolysates using FTIR
  • 19:00 Dinner

Tuesday June 18th

  • 09:00 Session 3: Chemometrics in the -omics area. Chair: Lennart Eriksson
    • 09:00 – 10:00 Invited speaker: Edoardo Saccenti – University of Wageningen: “My first 15 years: learned lessons on critical steps in chemometrics applications in omics and systems biology”
      • Discussant: Ingrid Måge – Nofima
  • 10:00 – 10:30 Coffee
  • 10:30 Session 3 continues
    • 10:30 – 11:30 Invited speaker: Jeroen Jansen – Radboud University Nijmegen: “How to critically compare methods for resolving biomedical mixtures”
      • Discussant: Rasmus Bro – University of Copenhagen
  • 11:30 – 13:30 Lunch and posters
  • 13:30-14:10 Herman Wold Medal Ceremony
  • 14:10 Session 4: Deep learning, machine learning and chemometrics. Chair: Federico Marini
    • 14:10 – 15:10 Invited speaker: Ole Christian Lingjærde – University of Oslo: “Deep learning: past, present and future”
      • Discussant: Evrim Acar – Simula Centre Oslo
    • 15:10 – 16:10 Contributed papers
      • 15:10 – 15:30 Rickard Sjögren – Deep Learning – isn’t it time for Chemometrics to embrace it?
      • 15:30 – 15:50 Ulf Geir Indahl – The scikit-learn Data Science “pipeline approach” to Machine- (and Deep) Learning
      • 15:50 – 16:10 Geert J. Postma – Deep learning for spectroscopic data analysis: an evaluation
  • 16:10 – 16:30 Coffee
  • 16:30 Session 5: Chemometrics in action. Chair: Jens Petter Wold
    • 16:30 – 17:50 Contributed papers
      • 16:30 – 16:50 Johan Trygg – Perspective on the application of multivariate technologies in biopharmaceutical manufacturing
      • 16:50 – 17:10 Gerjen H. Tinnevelt – A novel unbiased method links variability of co-expression between multiple proteins on single cells to a clinical phenotype
      • 17:10 – 17:30 Lars Munck – Natural Computing expressed in irreducible barley spectra reveal the functional composition in diagnostic fingerprints without compression
      • 17:30 – 17:50 Giorgio Tomasi – Optim2DCOW: an algorithm for automated 2D Correlation Optimized Warping for GC × GC – MS data
  • 19:00 Dinner

Wednesday June 19th

  • 09:00 Session 6: PhD Projects. Chair: Ingrid Måge
    • 09:00 – 10:30 Contributed papers
      • 09:00 – 09:15 Elise A. Kho – Characterization of Haemonchus contortus infections in sheep faeces by infrared spectroscopy
      • 09:15 – 09:30 Raju Rimal – Simulation of multi-response linear model data and comparison of prediction methods
      • 09:30 – 09:45 André van den Doel – Is river water out of control?
      • 09:45 – 10:00 Silje S. Fuglerud – Aqueous glucose sensing by fiber-based near-infrared spectroscopy
      • 10:00 – 10:15 George Stavropoulos – Data fusion strategies to improve prediction accuracy in Crohn’s Disease
      • 10:15 – 10:30 Anne Bech Risum – Multiway modelling of five-way protein fluorescence data; challenges and new approaches
  • 10:30 – 11:00 Coffee and posters
  • 11:00 Session 7: Path modelling, graphical modelling and causality. Chair: Jeroen Jansen
    • 11:00 – 12:00 Invited speaker: Rosaria Romano – University of Calabria, Italy: “Path modeling with multi-block regression method SO-PLS”
      • Discussant: Olivier Cloarec – Sartorius-Stedim, Sweden
  • 12:00 Session 8: Method Development. Chair: Age Smilde
    • 12:00 – 13:00 Contributed papers
      • 12:00 – 12:20 José Camacho – Cross-Product Penalized Component Analysis: A new tool for Exploratory Data Analysis
      • 12:20 – 12:40 Lennart Eriksson – Multiblock Orthogonal Component Analysis (MOCA) – A Novel Tool for Data Integration
      • 12:40 – 13:00 Lars Erik Solberg – Consensus and distinct subspaces for blocks of distances
  • 13:00-14:30 Lunch and posters
  • 14:30 Session 8 continues
    • 14:30 – 15:50 Contributed papers
      • 14:30 – 14:50 Kristian Hovde Liland – Fast “shortcut calculations” for cross validating Partial Least Squares prediction models
      • 14:50 – 15:10 Raffaele Vitale – A novel procedure for the simultaneous optimisation of the complexity and significance level of SIMCA models in the presence of strong class overlap
      • 15:10 – 15:30 Ryan Gosselin – A Novel Dynamic-PLS Algorithm for Meaningful and Robust Models
      • 15:30 – 15:50 Erik Andries – Calibration Updating Using Unlabeled Secondary Samples
  • 17:00 Social activity and Conference dinner

Thursday June 20th

  • 09:00 Session 9: Chemometrics in action. Chair: Barry Wise
    • 09:00 – 10:20 Contributed papers
      • 09:00 – 09:20 Harald Martens – Big Data Cybernetics: Chemometrics and hybrid modelling for control theory
      • 09:20 – 09:40 Federico Marini – A general SIMCA framework for single- and multi-block data
      • 09:40 – 10:00 Chun Kiang Chua – Recent Development of Band-Target Entropy Minimization Algorithm for Hyphenated Techniques
      • 10:00 – 10:20 Ingunn Berget – Sequential Clusterwise Rotations (SCR); a tool for clustering three-way data
  • 10:20 – 11:00 Coffee
  • 11:00 Session 9 continues
    • 11:00 – 12:00 Contributed papers
      • 11:00 – 11:20 Joan Borràs-Ferrís – Defining multivariate raw materials specifications via PLS model inversion
      • 11:20 – 11:40 Anita Rácz – QSAR behind the curtains: best practices by multi-level comparisons
      • 11:40 – 12:00 Jose M. González-Martinez – Energy Dispersive X-Ray Hyperspectral Imaging for Homogeneity Studies of Catalyst Extrudates
  • 12:00 – 12:20 End of Conference
  • 13:00 – 14:00 Lunch
  • 14:00 Bus transfer to Oslo Airport Gardermoen

Posters (Tuesday and Wednesday)

  1. Lennart Eriksson – An OPLS®-based Multivariate Solver
  2. Marian Kraus – Fast standoff investigation of chemical and biological samples using laser induced fluorescence signals, machine learning and an interactive Interface
  3. Andrei Barcaru – Chasing the interesting in the data with the Supervised Projection Pursuit
  4. Ramin Nikzad-Langerodi – Domain Regularization in Partial Least Squares Regression: New Solutions for Old Problems
  5. Dillen Augustijn – N-way Data Analysis of Protein Fluorescence in Formulation Screening
  6. Kurt Varmuza – One-class classification for the recognition of relevant measurements – applied to mass spectra from cometary and meteoritic particles
  7. Magnus Fransson – Applying Convolutional Neural Networks to Vibrational Spectroscopy Data
  8. Rola Houhou – PCA – LDA in functional and discrete framework applied to Raman spectra
  9. Alba González Cebrián – Dealing with outliers and missing data in PCA model building
  10. José Camacho – Comparison of Sparse Principal Component Analysis for Data Interpretation
  11. Robert van Vorstenbosch – The Detection of Colorectal Cancer using Exhaled Breath
  12. Carl Emil Eskildsen – The cage of covariance: A consequence of regressing high dimensional response variables onto a lower dimensional subspace of explanatory variables
  13. Tim Offermans – Improving process control of a dairy processing plant using a soft-sensor on parallel production data streams
  14. Morten Arendt Rasmussen – One-Button Chemometrics
  15. Agnese Brangule – Use of innovative FTIR spectroscopy sampling methods and chemometrics for authentication and differentiation of herbals
  16. Johan Trygg – Data Fusion in metabolomics
  17. Johan Trygg – Design of Experiments for data generation and data processing in ‘omics studies (genomics – metabolomics)
  18. Johan Trygg – Multivariate patent analysis
  19. Carlo G. Bertinetto – Effects of long distance walking analyzed by multidimentional flow cytometry analysis of neutrophils
  20. Dávid Bajusz – Similarity metrics for binary data structures in cheminformatics, metabolomics and other Fields
  21. Veeramani Manokaran – Rapid identification of reaction systems using spectroscopic measurements and micro-reactors
  22. Jacob Kræmer Hansen – Novel NIR analysis of Heterogeneous Powder
  23. Mona Stefanakis – Infrared spectroscopy and multivariate data analysis for the labelfree early stage diagnosis and demarcation of head and neck cancer in a mouse model
  24. Roel Bouman – Process pls: A new path modeling algorithm for high dimensional and multicollinear data
  25. Gavin Rhys Lloyd – Getting more from the PLS model: application to metabolomics
  26. Gavin Rhys Lloyd – Statistics in R Using Class Templates (StRUCT)
  27. Mercedes Bertotto – Detection of High Fructose Corn Syrup in Honey by Fourier Transform Infrared Spectroscopy and Chemometrics
  28. Sumana Narayana – Mid-infrared spectroscopy and multivariate analysis to characterize Lactobacillus acidophilus fermentation processes
  29. Ellen Færgestad Mosleth – Gene expression in petroleum workers exposed to sub-ppm benzene Levels
  30. Barry M. Wise – A Comparison of ANNs, SVMs, and XGBoost in Challenging Classification Problems
  31. Mats Josefson – Experiments with complex numbered multivariate data analysis