arXiv subjects

Tuomas Sihvonen

Publications and source records attributed to Tuomas Sihvonen.

8 recordsLinked to original sources

arXiv2026

A multi-level preprocessing and modelling framework for spectral imaging of microplastics

Spectral imaging provides chemically specific and spatially resolved analysis of microplastics, but its routine application is hindered by large data volumes, acquisition artefacts, spectral variability, and misidentification of polymers due to alike spectra. This study proposes a multi-level preprocessing and modelling framework for FT-IR spectral imaging of microplastics that integrates image-level, tile-level, and spectral-level corrections with scalable identification strategies. Image-level variation associated with changing acquisition conditions was done with latent variable selection, while a background-based tile correction reduced illumination-related artefacts. Spectral preprocessing combined baseline correction, smoothing, derivative calculation, normalization, and wavelength selection, and only particle spectra were retained for further analysis to improve computational efficiency. For scalable identification, clustering was applied to particle spectra and spectral library matching was performed on cluster centroids instead of individual pixels. Among twelve evaluated matching strategies, a sign-invariant derivative-based cosine similarity method achieved perfect classification accuracy for polystyrene (PS), polyethylene terephthalate (PET), polyethylene (PE), and polypropylene (PP). The clustering-based workflow also produced more spatially coherent particle maps than direct software-based matching while substantially reducing processing time. The framework was evaluated for supervised classification-based MP indentification. These results show that multi-level correction combined with cluster-centroid spectral matching improves the robustness, efficiency, and interpretability of spectral-imaging-based microplastic identification.

cs.CE↗

arXiv2026

Probabilistic multivariate statistical process control via kernel parameter uncertainty propagation

Kernel-based multivariate statistical process control (K-MSPC) extends classical monitoring to nonlinear industrial processes. Its performance depends critically on kernel parameters such as lengthscales and variance terms. In current practice these parameters are typically selected by heuristics or deterministic optimisation, and then treated as fixed, despite being inferred from finite and noisy data. This can lead to overconfident control limits and unstable alarm behaviour when the kernel choice is uncertain. This work proposes a probabilistic K-MSPC framework that quantifies and propagates kernel parameter uncertainty to the monitoring statistics. The approach follows a two-stage workflow: (i) deterministic kernel calibration using supervised or unsupervised models, and (ii) Bayesian inference of kernel parameters via Markov chain Monte Carlo. Posterior samples are propagated through kernel Principal Component Analysis to produce probabilistic $T^2$ and squarred prediction error control charts, together with uncertainty-aware contribution plots. The framework is evaluated on the Tennessee Eastman Process benchmark. Results show that posterior-mean monitoring often improves fault detection compared to deterministic prior-mean charts for the squared exponential kernel, while credible bands remain narrow in-control and widen under faults, reflecting amplified epistemic uncertainty in abnormal regimes. The automatic relevance determination kernel reduces posterior uncertainty and yields performance close to the deterministic baseline, whereas unsupervised calibration produces wider posterior bands but still robust fault detection.

stat.AP↗

arXiv2025

Uncertainty calibration for latent-variable regression models

Uncertainty quantification is essential for scientific analysis, as it allows for the evaluation and interpretation of variability and reliability in complex systems and datasets. In their original form, multivariate statistical regression models (partial least-squares regression, PLS, principal component regression, PCR) along with their kernelized versions (kernel partial least-squares regression, K-PLS, kernel principal component regression, K-PCR), do not incorporate uncertainty quantification as part of their output. In this study, we propose a method inspired by conformal inference to estimate and calibrate the uncertainty of multivariate statistical models. The result of this method is a point prediction accompanied by prediction intervals that depend on the input data. We tested the proposed method on both traditional and kernelized versions of PLS and PCR. The method is demonstrated using synthetic data, as well as laboratory near-infrared (NIR) and airborne hyperspectral regression models for estimating functional plant traits. The model was able to successfully identify the uncertain regions in the simulated data and match the magnitude of the uncertainty. In real-case scenarios, the optimised model was not overconfident nor underconfident when estimating from test data: for example, for a 95% prediction interval, 95% of the true observations were inside the prediction interval.

stat.ME↗

arXiv2025

Optimising Kernel-based Multivariate Statistical Process Control

Multivariate Statistical Process Control (MSPC) is a framework for monitoring and diagnosing complex processes by analysing the relationships between multiple process variables simultaneously. Kernel MSPC extends the methodology by leveraging kernel functions to capture non-linear relationships between the data, enhancing the process monitoring capabilities. However, optimising the kernel MSPC parameters, such as the kernel type and kernel parameters, is often done in literature in time-consuming and non-procedural manners such as cross-validation or grid search. In the present paper, we propose optimising the kernel MSPC parameters with Kernel Flows (KF), a recent kernel learning methodology introduced for Gaussian Process Regression (GPR). Apart from the optimisation technique, the novelty of the study resides also in the utilisation of kernel combinations for learning the optimal kernel type, and introduces individual kernel parameters for each variable. The proposed methodology is evaluated with multiple cases from the benchmark Tennessee Eastman Process. The faults are detected for all evaluated cases, including the ones not detected in the original study.

cs.CE↗

arXiv2024

Kernel-based retrieval models for hyperspectral image data optimized with Kernel Flows

Kernel-based statistical methods are efficient, but their performance depends heavily on the selection of kernel parameters. In literature, the optimization studies on kernel-based chemometric methods is limited and often reduced to grid searching. Previously, the authors introduced Kernel Flows (KF) to learn kernel parameters for Kernel Partial Least-Squares (K-PLS) regression. KF is easy to implement and helps minimize overfitting. In cases of high collinearity between spectra and biogeophysical quantities in spectroscopy, simpler methods like Principal Component Regression (PCR) may be more suitable. In this study, we propose a new KF-type approach to optimize Kernel Principal Component Regression (K-PCR) and test it alongside KF-PLS. Both methods are benchmarked against non-linear regression techniques using two hyperspectral remote sensing datasets.

cs.LG↗

arXiv2024

Statistical Batch-Based Bearing Fault Detection

In the domain of rotating machinery, bearings are vulnerable to different mechanical faults, including ball, inner, and outer race faults. Various techniques can be used in condition-based monitoring, from classical signal analysis to deep learning methods. Based on the complex working conditions of rotary machines, multivariate statistical process control charts such as Hotelling's $T^2$ and Squared Prediction Error are useful for providing early warnings. However, these methods are rarely applied to condition monitoring of rotating machinery due to the univariate nature of the datasets. In the present paper, we propose a multivariate statistical process control-based fault detection method that utilizes multivariate data composed of Fourier transform features extracted for fixed-time batches. Our approach makes use of the multidimensional nature of Fourier transform characteristics, which record more detailed information about the machine's status, in an effort to enhance early defect detection and diagnosis. Experiments with varying vibration measurement locations (Fan End, Drive End), fault types (ball, inner, and outer race faults), and motor loads (0-3 horsepower) are used to validate the suggested approach. The outcomes illustrate our method's effectiveness in fault detection and point to possible broader uses in industrial maintenance.

stat.ML↗

arXiv2024

Varroa destructor detection on honey bees using hyperspectral imagery

Hyperspectral (HS) imagery in agriculture is becoming increasingly common. These images have the advantage of higher spectral resolution. Advanced spectral processing techniques are required to unlock the information potential in these HS images. The present paper introduces a method rooted in multivariate statistics designed to detect parasitic Varroa destructor mites on the body of western honey bee Apis mellifera, enabling easier and continuous monitoring of the bee hives. The methodology explores unsupervised (K-means++) and recently developed supervised (Kernel Flows - Partial Least-Squares, KF-PLS) methods for parasitic identification. Additionally, in light of the emergence of custom-band multispectral cameras, the present research outlines a strategy for identifying the specific wavelengths necessary for effective bee-mite separation, suitable for implementation in a custom-band camera. Illustrated with a real-case dataset, our findings demonstrate that as few as four spectral bands are sufficient for accurate parasite identification.

cs.CV↗

arXiv2023

KF-PLS: Optimizing Kernel Partial Least-Squares (K-PLS) with Kernel Flows

Partial Least-Squares (PLS) Regression is a widely used tool in chemometrics for performing multivariate regression. PLS is a bi-linear method that has a limited capacity of modelling non-linear relations between the predictor variables and the response. Kernel PLS (K-PLS) has been introduced for modelling non-linear predictor-response relations. In K-PLS, the input data is mapped via a kernel function to a Reproducing Kernel Hilbert space (RKH), where the dependencies between the response and the input matrix are assumed to be linear. K-PLS is performed in the RKH space between the kernel matrix and the dependent variable. Most available studies use fixed kernel parameters. Only a few studies have been conducted on optimizing the kernel parameters for K-PLS. In this article, we propose a methodology for the kernel function optimization based on Kernel Flows (KF), a technique developed for Gaussian process regression (GPR). The results are illustrated with four case studies. The case studies represent both numerical examples and real data used in classification and regression tasks. K-PLS optimized with KF, called KF-PLS in this study, is shown to yield good results in all illustrated scenarios. The paper presents cross-validation studies and hyperparameter analysis of the KF methodology when applied to K-PLS.

stat.ME↗