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.

Reconstruction and segmentation from sparse sequential X-ray measurements of wood logs

In industrial applications it is common to scan objects on a moving conveyor belt. If slice-wise 2D computed tomography (CT) measurements of the moving object are obtained we call it a sequential scanning geometry. In this case, each slice on its own does not carry sufficient information to reconstruct a useful tomographic image. Thus, here we propose the use of a Dimension reduced Kalman Filter to accumulate information between slices and allow for sufficiently accurate reconstructions for further assessment of the object. Additionally, we propose to use an unsupervised clustering approach known as Density Peak Advanced, to perform a segmentation and spot density anomalies in the internal structure of the reconstructed objects. We evaluate the method in a proof of concept study for the application of wood log scanning for the industrial sawing process, where the goal is to spot anomalies within the wood log to allow for optimal sawing patterns. Reconstruction and segmentation quality is evaluated from experimental measurement data for various scenarios of severely undersampled X-measurements. Results show clearly that an improvement of reconstruction quality can be obtained by employing the Dimension reduced Kalman Filter allowing to robustly obtain the segmented logs.

Resolving Overlapping Convex Objects in Silhouette Images by Concavity Analysis and Gaussian Process

Segmentation of overlapping convex objects has various applications, for example, in nanoparticles and cell imaging. Often the segmentation method has to rely purely on edges between the background and foreground making the analyzed images essentially silhouette images. Therefore, to segment the objects, the method needs to be able to resolve the overlaps between multiple objects by utilizing prior information about the shape of the objects. This paper introduces a novel method for segmentation of clustered partially overlapping convex objects in silhouette images. The proposed method involves three main steps: pre-processing, contour evidence extraction, and contour estimation. Contour evidence extraction starts by recovering contour segments from a binarized image by detecting concave points. After this, the contour segments which belong to the same objects are grouped. The grouping is formulated as a combinatorial optimization problem and solved using the branch and bound algorithm. Finally, the full contours of the objects are estimated by a Gaussian process regression method. The experiments on a challenging dataset consisting of nanoparticles demonstrate that the proposed method outperforms three current state-of-art approaches in overlapping convex objects segmentation. The method relies only on edge information and can be applied to any segmentation problems where the objects are partially overlapping and have a convex shape.