This study evaluates the applicability of Kolmogorov-Arnold Networks (KAN) in fraud detection, finding that their effectiveness is context-dependent. We propose a quick decision rule using Principal Component Analysis (PCA) to assess the suitability of KAN: if data can be effectively separated in two dimensions using splines, KAN may outperform traditional models; otherwise, other methods could be more appropriate. We also introduce a heuristic approach to hyperparameter tuning, significantly reducing computational costs. These findings suggest that while KAN has potential, its use should be guided by data-specific assessments.

Graph homomorphism counts, first explored by Lov\'asz in 1967, have recently garnered interest as a powerful tool in graph-based machine learning. Grohe (PODS 2020) proposed the theoretical foundations for using homomorphism counts in machine learning on graph level as well as node level tasks. By their very nature, these capture local structural information, which enables the creation of robust structural embeddings. While a first approach for graph level tasks has been made by Nguyen and Maehara (ICML 2020), we experimentally show the effectiveness of homomorphism count based node embeddings. Enriched with node labels, node weights, and edge weights, these offer an interpretable representation of graph data, allowing for enhanced explainability of machine learning models. We propose a theoretical framework for isomorphism-invariant homomorphism count based embeddings which lend themselves to a wide variety of downstream tasks. Our approach capitalises on the efficient computability of graph homomorphism counts for bounded treewidth graph classes, rendering it a practical solution for real-world applications. We demonstrate their expressivity through experiments on benchmark datasets. Although our results do not match the accuracy of state-of-the-art neural architectures, they are comparable to other advanced graph learning models. Remarkably, our approach demarcates itself by ensuring explainability for each individual feature. By integrating interpretable machine learning algorithms like SVMs or Random Forests, we establish a seamless, end-to-end explainable pipeline. Our study contributes to the advancement of graph-based techniques that offer both performance and interpretability.

In manufacturing, rework refers to an optional step of a production process which aims to eliminate errors or remedy products that do not meet the desired quality standards. Reworking a production lot involves repeating a previous production stage with adjustments to ensure that the final product meets the required specifications. While offering the chance to improve the yield and thus increase the revenue of a production lot, a rework step also incurs additional costs. Additionally, the rework of parts that already meet the target specifications may damage them and decrease the yield. In this paper, we apply double/debiased machine learning (DML) to estimate the conditional treatment effect of a rework step during the color conversion process in opto-electronic semiconductor manufacturing on the final product yield. We utilize the implementation DoubleML to develop policies for the rework of components and estimate their value empirically. From our causal machine learning analysis we derive implications for the coating of monochromatic LEDs with conversion layers.

We propose a methodology to predict the cardiac epicardial and mediastinal fat volumes in computed tomography images using regression algorithms. The obtained results indicate that it is feasible to predict these fats with a high degree of correlation, thus alleviating the requirement for manual or automatic segmentation of both fat volumes. Instead, segmenting just one of them suffices, while the volume of the other may be predicted fairly precisely. The correlation coefficient obtained by the Rotation Forest algorithm using MLP Regressor for predicting the mediastinal fat based on the epicardial fat was 0.9876, with a relative absolute error of 14.4% and a root relative squared error of 15.7%. The best correlation coefficient obtained in the prediction of the epicardial fat based on the mediastinal was 0.9683 with a relative absolute error of 19.6% and a relative squared error of 24.9%. Moreover, we analysed the feasibility of using linear regressors, which provide an intuitive interpretation of the underlying approximations. In this case, the obtained correlation coefficient was 0.9534 for predicting the mediastinal fat based on the epicardial, with a relative absolute error of 31.6% and a root relative squared error of 30.1%. On the prediction of the epicardial fat based on the mediastinal fat, the correlation coefficient was 0.8531, with a relative absolute error of 50.43% and a root relative squared error of 52.06%. In summary, it is possible to speed up general medical analyses and some segmentation and quantification methods that are currently employed in the state-of-the-art by using this prediction approach, which consequently reduces costs and therefore enables preventive treatments that may lead to a reduction of health problems.

We consider conducting inference on the output of the Classification and Regression Tree (CART) [Breiman et al., 1984] algorithm. A naive approach to inference that does not account for the fact that the tree was estimated from the data will not achieve standard guarantees, such as Type 1 error rate control and nominal coverage. Thus, we propose a selective inference framework for conducting inference on a fitted CART tree. In a nutshell, we condition on the fact that the tree was estimated from the data. We propose a test for the difference in the mean response between a pair of terminal nodes that controls the selective Type 1 error rate, and a confidence interval for the mean response within a single terminal node that attains the nominal selective coverage. Efficient algorithms for computing the necessary conditioning sets are provided. We apply these methods in simulation and to a dataset involving the association between portion control interventions and caloric intake.

The classification of imbalanced data has presented a significant challenge for most well-known classification algorithms that were often designed for data with relatively balanced class distributions. Nevertheless skewed class distribution is a common feature in real world problems. It is especially prevalent in certain application domains with great need for machine learning and better predictive analysis such as disease diagnosis, fraud detection, bankruptcy prediction, and suspect identification. In this paper, we propose a novel tree-based algorithm based on the area under the precision-recall curve (AUPRC) for variable selection in the classification context. Our algorithm, named as the "Precision-Recall Curve classification tree", or simply the "PRC classification tree" modifies two crucial stages in tree building. The first stage is to maximize the area under the precision-recall curve in node variable selection. The second stage is to maximize the harmonic mean of recall and precision (F-measure) for threshold selection. We found the proposed PRC classification tree, and its subsequent extension, the PRC random forest, work well especially for class-imbalanced data sets. We have demonstrated that our methods outperform their classic counterparts, the usual CART and random forest for both synthetic and real data. Furthermore, the ROC classification tree proposed by our group previously has shown good performance in imbalanced data. The combination of them, the PRC-ROC tree, also shows great promise in identifying the minority class.

Filter or screening methods are often used as a preprocessing step for reducing the number of variables used by a learning algorithm in obtaining a classification or regression model. While there are many such filter methods, there is a need for an objective evaluation of these methods. Such an evaluation is needed to compare them with each other and also to answer whether they are at all useful, or a learning algorithm could do a better job without them. For this purpose, many popular screening methods are partnered in this paper with three regression learners and five classification learners and evaluated on ten real datasets to obtain accuracy criteria such as R-square and area under the ROC curve (AUC). The obtained results are compared through curve plots and comparison tables in order to find out whether screening methods help improve the performance of learning algorithms and how they fare with each other. Our findings revealed that the screening methods were only useful in one regression and three classification datasets out of the ten datasets evaluated.

The paper focuses on finding the m best solutions to combinatorial optimization problems using best-first or depth-first branch and bound search. Specifically, we present a new algorithm m-A*, extending the well-known A* to the m-best task, and for the first time prove that all its desirable properties, including soundness, completeness and optimal efficiency, are maintained. Since best-first algorithms require extensive memory, we also extend the memory-efficient depth-first branch and bound to the m-best task. We adapt both algorithms to optimization tasks over graphical models (e.g., Weighted CSP and MPE in Bayesian networks), provide complexity analysis and an empirical evaluation. Our experiments confirm theory that the best-first approach is largely superior when memory is available, but depth-first branch and bound is more robust. We also show that our algorithms are competitive with related schemes recently developed for the m-best task.