Monday June 17th

  • 08:30 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 and registration
  • 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
      • M. Fuentes-García – PARAMO: Enhanced Data Pre-processing in Batch Multivariate Statistical Process Control
      • Ewa Szymańska – Embracing seasonal variation in milk composition in feed-forward control of cheese production process
  • 15:40 Session 2: Spectroscopy
    • 15:40 – 16:20 Contributed papers
      • Ali Gahkani – t-SNE for Visualization of Spectroscopic Data
      • 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
      • Carl Emil Eskildsen – Correcting Inner Filter Effects in Fluorescence Measurements
      • Marta Bevilacqua – Front Face fluorescence and PARAFAC for fine interpretation of protein modification: how far can we og?
      • Nils Kristian Afseth – Hierarchical modeling in high-resolution spectroscopy – prediction of average molecular weights of protein hydrolysates using FTIR
      • M Nashir Uddin – Rapid Determination Method of Dissolving Pulp properties by Spectroscopic Data and Chemometrics
  • 19:00 Dinner

Tuesday June 18th

  • 09:00 Session 3: Chemometrics in the -omics area
    • 09:00 – 10:00 Invited speaker: Edoardo Saccenti – University of Wageningen: “My first 15 years: a historically informed overview of 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 – 14:00 Lunch and posters
  • 14:00 Session 4: Deep learning, machine learning and chemometrics
    • 14:00 – 15:00 Invited speaker: Ole Christian Lingjærde – University of Oslo: “Deep learning: past, present and future”
      • Discussant: Evrim Acar – Simula Centre Oslo
    • 15:00 – 16:00 Contributed papers
      • Rickard Sjögren – Deep Learning – isn’t it time for Chemometrics to embrace it?
      • Ulf G. Indahl – The scikit-learn Data Science “pipeline approach” to Machine- (and Deep) Learning
      • G.J. Postma – Deep learning for spectroscopic data analysis: an evaluation
  • 16:00 – 16:20 Coffee
  • 16:20 Session 5: Chemometrics in action
    • 16:20 – 18:00 Contributed papers
      • Gerjen H. Tinnevelt – A novel unbiased method links variability of co-expression between multiple proteins on single cells to a clinical phenotype
      • Lars Munck – Natural Computing expressed in irreducible barley spectra reveal the functional composition in diagnostic fingerprints without compression
      • Giorgio Tomasi – Optim2DCOW: an algorithm for automated 2D Correlation Optimized Warping for GC × GC – MS data
      • Federico Marini – A general SIMCA framework for single- and multi-block data
  • 19:00 Dinner

Wednesday June 19th

  • 09:00 Session 6: PhD Projects
    • 09:00 – 10:30 Contributed papers
  • 10:30 – 11:00 Coffee and posters
  • 11:00 Session 7: Path modelling, graphical modelling and causality
    • 11:00 – 12:00 Invited speaker: Rosaria Romano – University of Calabria, Italy: “Path modeling with multi-block regression method SO-PLS”
      • Discussant: Johan Trygg – Umeå University, Sweden
  • 12:00 Session 8: Method development
    • 12:00 – 13:00 Contributed papers
      • J. Camacho – Cross-Product Penalized Component Analysis: A new tool for Exploratory Data Analysis
      • Lennart Eriksson – Multiblock Orthogonal Component Analysis (MOCA) – A Novel Tool for Data Integration
      • 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
      • Kristian Hovde Liland – Fast “shortcut calculations” for cross validating Partial Least Squares prediction models
      • 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
      • Ryan Gosselin – A Novel Dynamic-PLS Algorithm for Meaningful and Robust Models
      • 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
    • 09:00 – 10:40 Contributed papers
      • Harald Martens – Big Data Cybernetics: Chemometrics and hybrid modelling for control theory
      • Johan Trygg – Perspective on the application of multivariate technologies in biopharmaceutical manufacturing
      • Chun Kiang Chua – Recent Development of Band-Target Entropy Minimization Algorithm for Hyphenated Techniques
      • Ingunn Berget – Sequential Clusterwise Rotations (SCR); a tool for clustering three-way data
      • Joan Borràs-Ferrís – Defining multivariate raw materials specifications via PLS model inversion
  • 10:40 – 11:10 Coffee
  • 11:10 Session 9 continues
    • 11:10 – 12:30 Contributed papers
      • Anita Rácz – QSAR behind the curtains: best practices by multi-level comparisons
      • J.M. González-Martinez – Energy Dispersive X-Ray Hyperspectral Imaging for Homogeneity Studies of Catalyst Extrudates
      • Andreas Baum – The potential of FTIR and PARAFAC–PCA analysis for quantification and subsequent comparison of enzyme activities originating from different origins
      • Åsmund Rinnan – Interpretation of PLS models on data from Near Infrared Spectroscopy
  • 12:30 – 12:45 End of Conference
  • 13:00 – 14:00 Lunch
  • 14:00 Bus transfer to Oslo Airport Gardermoen

Posters (Tuesday and Wednesday)

Lennart Eriksson – An OPLS®-based Multivariate Solver

Marian Kraus – Fast standoff investigation of chemical and biological samples using laser induced fluorescence signals, machine learning and an interactive interface

Andrei Barcaru – Chasing the interesting in the data with the Supervised Projection Pursuit

Ramin Nikzad-Langerodi – Domain Regularization in Partial Least Squares Regression: New Solutions for Old Problems

Dillen Augustijn – N-way Data Analysis of Protein Fluorescence in Formulation Screening

Varmuza K. – One-class classification for the recognition of relevant measurements – applied to mass spectra from cometary and meteoritic particles

Magnus Fransson – Applying Convolutional Neural Networks to Vibrational Spectroscopy Data

Rola Houhou – PCA – LDA in functional and discrete framework applied to Raman spectra

Alba González Cebrián – Dealing with outliers and missing data in PCA model building

Camacho – Comparison of Sparse Principal Component Analysis for Data Interpretation

Robert van Vorstenbosch – The Detection of Colorectal Cancer using Exhaled Breath

Carl Emil Eskildsen – The cage of covariance: A consequence of regressing high dimensional response variables onto a lower dimensional subspace of explanatory variables

Tim Offermans – Improving process control of a dairy processing plant using a soft-sensor on parallel production data streams

Morten Arendt Rasmussen – One-Button Chemometrics

Agnese Brangule – Use of innovative FTIR spectroscopy sampling methods and chemometrics for authentication and differentiation of herbals

Johan Trygg – Data Fusion in metabolomics

Johan Trygg – Design of Experiments for data generation and data processing in ‘omics studies (genomics – metabolomics)

Johan Trygg – Multivariate patent analysis

Carlo G. Bertinetto – Effects of long distance walking analyzed by multidimentional flow cytometry analysis of neutrophils

Dávid Bajusz – Similarity metrics for binary data structures in cheminformatics, metabolomics and other fields

Cristian Quiroz-Moreno – RGC×GC: an R package for comprehensive two-dimensional gas chromatography data analysis

Manokaran V – Rapid identification of reaction systems using spectroscopic measurements and micro-reactors

Jacob Kræmer Hansen – Novel NIR analysis of Heterogeneous Powder

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