Program

Session 1

Chemometrics for process modelling/control/monitoring

Chairman: Åsmund Rinnan

13:10 - 13:50

Chemometrics. Methods and concepts. From one-block to multi-block analysis

Tormod Næs

13:50 - 14:10

From chemical fingerprints to environmental footprints: advancing feed production through near-infrared spectroscopy, Life Cycle Assessment and Chemometrics

Jeroen Jasper Jansen

14:10 - 14:25

A pipeline for predictive modelling using industrial time series data

Ingrid Måge

14:25 - 14:40

Validation of Predictive Models Based on Time-Series Data for Bioprocess Monitoring and Control

Andreas Eriksson

14:40 - 14:55

NIR hyperspectral imaging and chemometrics for hybrid sausage assessment

Victor Gustavo Kelis Cardoso

Session 2

Design of Experiments

Chairman: Lennart Eriksson

15:20 -15:40

Quality by design approach to improve quality and decrease cost of mRNA production

Henrik Widmark

15:40 -15:55

General Effect Modelling (GEM) – a platform for analyses of multivariate data influenced by several qualitative and quantitative factors

Ellen Mosleth

15:55-16:10

GEMANOVA: a multiway approach to DoE

Jokin Ezenarro

16:10 -16:25

Optimizing bottom-up proteomics sample preparation for absolute quantification of 170 plasma proteins in human plasma using a chemometric approach

Kári Arnarson

16:25 -16:45

Robust process design through MODDE

Ásta Rós Sigtryggsdóttir

1-2 min poster pitches for students / by invitation

Chairman: Bergþóra Snorradóttir

Session 3

Advanced data processing

Chairman: Kristian Hovde Liland

09:00-09:30

Aspects and Benefits of Applying Convolutional Neural Networks to Small Data Sets – A Viability Study

Andreas Baum

09:30 - 09:50

All sparse PCA models are wrong, but some are useful

José Camacho

09:50 - 10:05

A rigorous Sparse-PLS workflow using multiple imputation of missing values

Marta Bevilacqua

Session 3

Advanced data processing (continue)

Chairman: Ingrid Måge

10:45 - 10:50

Data Quality: The importance of the ‘before analysis’ domain on data modelling [BLM, ML, AI] - What can chemometricians do?

Kim H. Esbensen

10:50 - 11:05

Enhancing Multiclass Classification with OPLS-HDA 

Pär Jonsson

11:05 -11:25

Alternative definitions of effects in path models with multidimensional blocks

Kristian Hovde Liland

11:25 - 11:40

The Assay of Theseus - Behavioral Dynamics of xC-MS in the Real World

Jim Edwards

11:40 - 11:55

Study on the interpretability of Kernel-based multivariate tools

Zina-Sabrina Duma

Session 4

Deep learning, machine learning and chemometrics

Chairman: Frederico Marini

13:00-13:30

Clinical Applications of Ensemble Machine Learning Methods for Multiplex Mass Spectrometry Interpretation

Stephen R. Master

13:30 -13:45

Identification of plasma proteins for breast cancer diagnosis by integrating targeted proteomics with clinical data

Kristrún Yr Holm

13:45 -14:00

Prediction Uncertainty Quantification in PLS Regression: A Gaussian Process Framework for Observation-Specific Prediction Bias and Prediction Error Variance Estimation

Carl Emil Eskildsen

14:00 - 14:15

IPA under the light: Explainability study (XAI) of Deep CNN for near-infrared spectroscopy

Florent Haffner

14:15 - 14:35

Quantitative BIG DATA and Chemometrics: Green, Safe and Understandable AI for Natural Science and Technology

Harald Martens

Round table discussion - Bringing Chemometrics and Machine learning communities closely together

Session 5

Chemometrics in ”omics” technologies

Chairman: Margrét Thorsteinsdóttir

09:30 -10:00

Chemometrics in untargeted Lipidomics: Applications and cautions

Laura Goracci

10:00 -10:20

Statistical validation of multivariate treatment effects in longitudinal study designs

Guro F. Giskeødegård

10:20 - 10:40

Parallel targeted and untargeted metabolite analysis of mouse plasma samples using a benchtop multi-reflecting time of flight mass spectrometer

Ross Chawner

Session 5

Chemometrics in ”omics” technologies (continue)

Chairman: Pär Jonsson

11:10 -11:30

Coming full circle: an omics practitioner’s perspective on improving mass spectrometry for life sciences research

Matthew Lewis

11:30 -11:45

A Chemometric Framework for Population Metabolic Profiling: Application to a multi-country molecular epidemiology study

Reika Masuda

11:45 -12:00

From misinference to chemical insight: immune cells and cardiovascular disease

Gerjen Tinnevelt

12:00 - 12:15

Development of a high-throughput LC-MS/MS assay for inborn errors of metabolism

Ingvi Karl Jonsson

Session 5

Chemometrics in “omics” technology

Chairman: Stefan Jonsson

13:15 -13:40

Integrative Single- and Multi-Omics Data Analysis using iSODA

Yassene Mohammed

13:45 - 14:00

Mathematical super-resolution in chromatography: enhancing chemical volatile profiling with accelerated GC-MS and tensor decomposition (PARAFAC2)

Beatriz Quintanilla-Casas

14:00 - 14:15

ROI-PARAFAC2 - Deconvoluting only the important LC-HRMS signals

Julius Jessen Terp

14:15 -14:30

Integration of GC–MS and PTR–MS Data: A Holistic Approach to Comprehensive Volatile Analysis in Cheese and Plant-Based Alternatives

Berta Torres Cobos

Session 6

Multivariate curve resolution and calibration

Chairman: Onno de Noord

15:20 -15:40

Can canonical angle measures be useful in MCR analysis?

Klaus Neymeyr

15:40 -15:55

Enhancing Pharmaceutical Manufacturing: pH Monitoring Using Raman Spectroscopy and Multivariate Curve Resolution Methods

Sara Piqueras Solsona

15:55 -16:10

Comparing methods for calibration transfer

Lars Erik Solberg

Session 7

Miscellaneous topics

Chairman: Per Waaben Hansen

16:15 -16:30

MIR and NIR Hyperspectral imaging for food quality control and traceability Enhancing Pharmaceutical

Consuelo Giustizieri

16:30 - 16:45

Explorative analysis of hyperspectral images by Block Term Decomposition

Marina Cocchi

16:45 -17:00

What to NOT do when calculating complex PARAFAC models

Helene Froriep Stengade Halberg

17:00 -17.20

Why Gaussian Processes not used more often in Chemometrics?

Olivier Cloarec