We consider the following problem in computational geometry: given, in the d-dimensional real space, a set of points marked as positive and a set of points marked as negative, such that the convex hull of the positive set does not intersect the negative set, find K hyperplanes that separate, if possible, all the positive points from the negative ones. That is, we search for a convex polyhedron with at most K faces, containing all the positive points and no negative point. The problem is known in the literature for pure convex polyhedral approximation; our interest stems from its possible applications in constraint learning, where points are feasible or infeasible solutions of a Mixed Integer Program, and the K hyperplanes are linear constraints to be found. We cast the problem as an optimization one, minimizing the number of negative points inside the convex polyhedron, whenever exact separation cannot be achieved. We introduce models inspired by support vector machines and we design two mathematical programming formulations with binary variables. We exploit Dantzig-Wolfe decomposition to obtain extended formulations, and we devise column generation algorithms with ad-hoc pricing routines. We compare computing time and separation error values obtained by all our approaches on synthetic datasets, with number of points from hundreds up to a few thousands, showing our approaches to perform better than existing ones from the literature. Furthermore, we observe that key computational differences arise, depending on whether the budget K is sufficient to completely separate the positive points from the negative ones or not. On 8-dimensional instances (and over), existing convex hull algorithms become computational inapplicable, while our algorithms allow to identify good convex hull approximations in minutes of computation.

Computational preference elicitation methods are tools used to learn people's preferences quantitatively in a given context. Recent works on preference elicitation advocate for active learning as an efficient method to iteratively construct queries (framed as comparisons between context-specific cases) that are likely to be most informative about an agent's underlying preferences. In this work, we argue that the use of active learning for moral preference elicitation relies on certain assumptions about the underlying moral preferences, which can be violated in practice. Specifically, we highlight the following common assumptions (a) preferences are stable over time and not sensitive to the sequence of presented queries, (b) the appropriate hypothesis class is chosen to model moral preferences, and (c) noise in the agent's responses is limited. While these assumptions can be appropriate for preference elicitation in certain domains, prior research on moral psychology suggests they may not be valid for moral judgments. Through a synthetic simulation of preferences that violate the above assumptions, we observe that active learning can have similar or worse performance than a basic random query selection method in certain settings. Yet, simulation results also demonstrate that active learning can still be viable if the degree of instability or noise is relatively small and when the agent's preferences can be approximately represented with the hypothesis class used for learning. Our study highlights the nuances associated with effective moral preference elicitation in practice and advocates for the cautious use of active learning as a methodology to learn moral preferences.

Background: The reproducibility of machine-learning models in prostate cancer detection across different MRI vendors remains a significant challenge. Methods: This study investigates Support Vector Machines (SVM) and Random Forest (RF) models trained on radiomic features extracted from T2-weighted MRI images using Pyradiomics and MRCradiomics libraries. Feature selection was performed using the maximum relevance minimum redundancy (MRMR) technique. We aimed to enhance clinical decision support through multimodal learning and feature fusion. Results: Our SVM model, utilizing combined features from Pyradiomics and MRCradiomics, achieved an AUC of 0.74 on the Multi-Improd dataset (Siemens scanner) but decreased to 0.60 on the Philips test set. The RF model showed similar trends, with notable robustness for models using Pyradiomics features alone (AUC of 0.78 on Philips). Conclusions: These findings demonstrate the potential of multimodal feature integration to improve the robustness and generalizability of machine-learning models for clinical decision support in prostate cancer detection. This study marks a significant step towards developing reliable AI-driven diagnostic tools that maintain efficacy across various imaging platforms. Keywords: Machine Learning Inter-Vendor Reproducibility Radiomics Prostate Cancer Diagnostic tools Model Reproducibility 1 Introduction Thinking about the transformative era of medical diagnostics with the integration of machine learning (ML) into cancer detection opens up a new oil reserve of possibilities.

Automatic spelling correction stands as a pivotal challenge within the ambit of natural language processing (NLP), demanding nuanced solutions. Traditional spelling correction techniques are typically only capable of detecting and correcting non-word errors, such as typos and misspellings. However, context-sensitive errors, also known as real-word errors, are more challenging to detect because they are valid words that are used incorrectly in a given context. The Persian language, characterized by its rich morphology and complex syntax, presents formidable challenges to automatic spelling correction systems. Furthermore, the limited availability of Persian language resources makes it difficult to train effective spelling correction models. This paper introduces a cutting-edge approach for precise and efficient real-word error correction in Persian text. Our methodology adopts a structured, multi-tiered approach, employing semantic analysis, feature selection, and advanced classifiers to enhance error detection and correction efficacy. The innovative architecture discovers and stores semantic similarities between words and phrases in Persian text. The classifiers accurately identify real-word errors, while the semantic ranking algorithm determines the most probable corrections for real-word errors, taking into account specific spelling correction and context properties such as context, semantic similarity, and edit-distance measures. Evaluations have demonstrated that our proposed method surpasses previous Persian real-word error correction models. Our method achieves an impressive F-measure of 96.6% in the detection phase and an accuracy of 99.1% in the correction phase. These results clearly indicate that our approach is a highly promising solution for automatic real-word error correction in Persian text.

This work presents the use of frequency modulated continuous wave (FMCW) radar technology combined with a machine learning model to differentiate between normal and abnormal breath rates. The proposed system non-contactly collects data using FMCW radar, which depends on breath rates. Various support vector machine kernels are used to classify the observed data into normal and abnormal states. Prolonged experiments show good accuracy in breath rate classification, confirming the model's efficacy. The best accuracy is 95 percent with the smallest number of support vectors in the case of the quadratic polynomial kernel.

In recent years, conventional chemistry techniques have faced significant challenges due to their inherent limitations, struggling to cope with the increasing complexity and volume of data generated in contemporary research endeavors. Computational methodologies represent robust tools in the field of chemistry, offering the capacity to harness potent machine-learning models to yield insightful analytical outcomes. This review delves into the spectrum of computational strategies available for natural product analysis and constructs a research framework for investigating both qualitative and quantitative chemistry problems. Our objective is to present a novel perspective on the symbiosis of machine learning and chemistry, with the potential to catalyze a transformation in the field of natural product analysis.

The accuracy and understandability of bank failure prediction models are crucial. While interpretable models like logistic regression are favored for their explainability, complex models such as random forest, support vector machines, and deep learning offer higher predictive performance but lower explainability. These models, known as black boxes, make it difficult to derive actionable insights. To address this challenge, using counterfactual explanations is suggested. These explanations demonstrate how changes in input variables can alter the model output and suggest ways to mitigate bank failure risk. The key challenge lies in selecting the most effective method for generating useful counterfactuals, which should demonstrate validity, proximity, sparsity, and plausibility. The paper evaluates several counterfactual generation methods: WhatIf, Multi Objective, and Nearest Instance Counterfactual Explanation, and also explores resampling methods like undersampling, oversampling, SMOTE, and the cost sensitive approach to address data imbalance in bank failure prediction in the US. The results indicate that the Nearest Instance Counterfactual Explanation method yields higher quality counterfactual explanations, mainly using the cost sensitive approach. Overall, the Multi Objective Counterfactual and Nearest Instance Counterfactual Explanation methods outperform others regarding validity, proximity, and sparsity metrics, with the cost sensitive approach providing the most desirable counterfactual explanations. These findings highlight the variability in the performance of counterfactual generation methods across different balancing strategies and machine learning models, offering valuable strategies to enhance the utility of black box bank failure prediction models.

The support vector machine algorithm with a quantum kernel estimator (QSVM-Kernel), as a leading example of a quantum machine learning technique, has undergone significant advancements. Nevertheless, its integration with classical data presents unique challenges. While quantum computers primarily interact with data in quantum states, embedding classical data into quantum states using feature mapping techniques is essential for leveraging quantum algorithms Despite the recognized importance of feature mapping, its specific impact on data classification outcomes remains largely unexplored. This study addresses this gap by comprehensively assessing the effects of various feature mapping methods on classification results, taking medical data analysis as a case study. In this study, the QSVM-Kernel method was applied to classification problems in two different and publicly available medical datasets, namely, the Wisconsin Breast Cancer (original) and The Cancer Genome Atlas (TCGA) Glioma datasets. In the QSVM-Kernel algorithm, quantum kernel matrices obtained from 9 different quantum feature maps were used. Thus, the effects of these quantum feature maps on the classification results of the QSVM-Kernel algorithm were examined in terms of both classifier performance and total execution time. As a result, in the Wisconsin Breast Cancer (original) and TCGA Glioma datasets, when Rx and Ry rotational gates were used, respectively, as feature maps in the QSVM-Kernel algorithm, the best classification performances were achieved both in terms of classification performance and total execution time. The contributions of this study are that (1) it highlights the significant impact of feature mapping techniques on medical data classification outcomes using the QSVM-Kernel algorithm, and (2) it also guides undertaking research for improved QSVM classification performance.

Background: Attention-Deficit/Hyperactivity Disorder (ADHD) is a prevalent neurodevelopmental disorder that significantly impacts various key aspects of life, requiring accurate diagnostic methods. Electroencephalogram (EEG) signals are used in diagnosing ADHD, but proper preprocessing is crucial to avoid noise and artifacts that could lead to unreliable results. Method: This study utilized a public EEG dataset from children diagnosed with ADHD and typically developing (TD) children. Four preprocessing techniques were applied: no preprocessing (Raw), Finite Impulse Response (FIR) filtering, Artifact Subspace Reconstruction (ASR), and Independent Component Analysis (ICA). EEG recordings were segmented, and features were extracted and selected based on statistical significance. Classification was performed using Machine Learning models, as XGBoost, Support Vector Machine, and K-Nearest Neighbors. Results: The absence of preprocessing leads to artificially high classification accuracy due to noise. In contrast, ASR and ICA preprocessing techniques significantly improved the reliability of results. Segmenting EEG recordings revealed that later segments provided better classification accuracy, likely due to the manifestation of ADHD symptoms over time. The most relevant EEG channels were P3, P4, and C3. The top features for classification included Kurtosis, Katz fractal dimension, and power spectral density of Delta, Theta, and Alpha bands. Conclusions: Effective preprocessing is essential in EEG-based ADHD diagnosis to prevent noise-induced biases. This study identifies crucial EEG channels and features, providing a foundation for further research and improving ADHD diagnostic accuracy. Future work should focus on expanding datasets, refining preprocessing methods, and enhancing feature interpretability to improve diagnostic accuracy and model robustness for clinical use.

The successful application of machine learning (ML) in catalyst design relies on high-quality and diverse data to ensure effective generalization to novel compositions, thereby aiding in catalyst discovery. However, due to complex interactions, catalyst design has long relied on trial-and-error, a costly and labor-intensive process leading to scarce data that is heavily biased towards undesired, low-yield catalysts. Despite the rise of ML in this field, most efforts have not focused on dealing with the challenges presented by such experimental data. To address these challenges, we introduce a robust machine learning and explainable AI (XAI) framework to accurately classify the catalytic yield of various compositions and identify the contributions of individual components. This framework combines a series of ML practices designed to handle the scarcity and imbalance of catalyst data. We apply the framework to classify the yield of various catalyst compositions in oxidative methane coupling, and use it to evaluate the performance of a range of ML models: tree-based models, logistic regression, support vector machines, and neural networks. These experiments demonstrate that the methods used in our framework lead to a significant improvement in the performance of all but one of the evaluated models. Additionally, the decision-making process of each ML model is analyzed by identifying the most important features for predicting catalyst performance using XAI methods. Our analysis found that XAI methods, providing class-aware explanations, such as Layer-wise Relevance Propagation, identified key components that contribute specifically to high-yield catalysts. These findings align with chemical intuition and existing literature, reinforcing their validity. We believe that such insights can assist chemists in the development and identification of novel catalysts with superior performance.