Antimicrobial Resistance (AMR) is a rapidly escalating global health crisis. While genomic sequencing enables rapid prediction of resistance phenotypes, current computational methods have limitations. Standard machine learning models treat the genome as an unordered collection of features, ignoring the sequential context of Single Nucleotide Polymorphisms (SNPs). State-of-the-art sequence models like Transformers are often too data-hungry and computationally expensive for the moderately-sized datasets that are typical in this domain. To address these challenges, we propose AMR-EnsembleNet, an ensemble framework that synergistically combines sequence-based and feature-based learning. We developed a lightweight, custom 1D Convolutional Neural Network (CNN) to efficiently learn predictive sequence motifs from high-dimensional SNP data. This sequence-aware model was ensembled with an XGBoost model, a powerful gradient boosting system adept at capturing complex, non-local feature interactions. We trained and evaluated our framework on a benchmark dataset of 809 E. coli strains, predicting resistance across four antibiotics with varying class imbalance. Our 1D CNN-XGBoost ensemble consistently achieved top-tier performance across all the antibiotics, reaching a Matthews Correlation Coefficient (MCC) of 0.926 for Ciprofloxacin (CIP) and the highest Macro F1-score of 0.691 for the challenging Gentamicin (GEN) AMR prediction. We also show that our model consistently focuses on SNPs within well-known AMR genes like fusA and parC, confirming it learns the correct genetic signals for resistance. Our work demonstrates that fusing a sequence-aware 1D CNN with a feature-based XGBoost model creates a powerful ensemble, overcoming the limitations of using either an order-agnostic or a standalone sequence model.

The advent of digital streaming platforms have recently revolutionized the landscape of music industry, with the ensuing digitalization providing structured data collections that open new research avenues for investigating popularity dynamics and mainstream success. The present work explored which determinants hold the strongest predictive influence for a track's inclusion in the Billboard Hot 100 charts, including streaming popularity, measurable audio signal attributes, and probabilistic indicators of human listening. The analysis revealed that popularity was by far the most decisive predictor of Billboard Hot 100 inclusion, with considerable contribution from instrumentalness, valence, duration and speechiness. Logistic Regression achieved 90.0% accuracy, with very high recall for charting singles (0.986) but lower recall for non-charting ones (0.813), yielding balanced F1-scores around 0.90. Random Forest slightly improved performance to 90.4% accuracy, maintaining near-perfect precision for non-charting singles (0.990) and high recall for charting ones (0.992), with F1-scores up to 0.91. Gradient Boosting (XGBoost) reached 90.3% accuracy, delivering a more balanced trade-off by improving recall for non-charting singles (0.837) while sustaining high recall for charting ones (0.969), resulting in F1-scores comparable to the other models.

Background: Fatigue detection through physiological signals has gained growing relevance across safety-critical domains such as transportation, healthcare, and human performance monitoring. While many studies focus on individual modalities (e.g., EEG or ECG), limited attention has been given to investigating statistical relationships between signal pairs as a means to enhance classification robustness. This study aims to explore how inter-signal statistical features correlation, cross-correlation, and covariance across multiple physiological signals can support fatigue state prediction. Methodology: Using the DROZY dataset, we extracted pairwise statistical features from four physiological signals: ECG, EMG, EOG, and EEG. Fifteen distinct signal combinations were evaluated, covering uni-modal to multi-modal configurations. Feature extraction emphasized statistical relationships between signals rather than raw amplitude characteristics. The extracted features were fed into four supervised machine learning classifiers: Decision Tree (DT), Random Forest (RF), Logistic Regression (LR), and XGBoost (XGB). Performance was assessed using accuracy, precision, recall, and area under the curve (AUC). Additionally, SHAP (SHapley Additive exPlanations) values were computed to evaluate feature importance and interpret model behavior. Results: Among all classifiers and signal combinations, XGBoost applied to the EMG| EEG combination achieved the highest classification performance, with an accuracy of 0.888 and an AUC of 0.975. SHAP-based ranking revealed that the correlation between ECG and EOG-H was the most influential feature across models. Feature interaction plots indicated non-linear relationships between statistical measures and fatigue levels. The multi-signal approach consistently outperformed single-signal models, with combinations involving EEG and EMG contributing most significantly to predictive power.

In this work, we develop machine learning (ML) based strategies to predict resources (costs) required for massively parallel chemistry computations, such as coupled-cluster methods, to guide application users before they commit to running expensive experiments on a supercomputer. By predicting application execution time, we determine the optimal runtime parameter values such as number of nodes and tile sizes. Two key questions of interest to users are addressed. The first is the shortest-time question, where the user is interested in knowing the parameter configurations (number of nodes and tile sizes) to achieve the shortest execution time for a given problem size and a target supercomputer. The second is the cheapest-run question in which the user is interested in minimizing resource usage, i.e., finding the number of nodes and tile size that minimizes the number of node-hours for a given problem size. We evaluate a rich family of ML models and strategies, developed based on the collections of runtime parameter values for the CCSD (Coupled Cluster with Singles and Doubles) application executed on the Department of Energy (DOE) Frontier and Aurora supercomputers. Our experiments show that when predicting the total execution time of a CCSD iteration, a Gradient Boosting (GB) ML model achieves a Mean Absolute Percentage Error (MAPE) of 0.023 and 0.073 for Aurora and Frontier, respectively. In the case where it is expensive to run experiments just to collect data points, we show that active learning can achieve a MAPE of about 0.2 with just around 450 experiments collected from Aurora and Frontier.

Account Takeover (ATO) fraud poses a significant challenge in consumer banking, requiring high recall under strict latency while minimizing friction for legitimate users. Production systems typically rely on tabular gradient-boosted decision trees (e.g., XGBoost) that score sessions independently, overlooking the relational and temporal structure of online activity that characterizes coordinated attacks and "fraud rings." We introduce ATLAS (Account Takeover Learning Across Spatio-Temporal Directed Graph), a framework that reformulates ATO detection as spatio-temporal node classification on a time-respecting directed session graph. ATLAS links entities via shared identifiers (account, device, IP) and regulates connectivity with time-window and recency constraints, enabling causal, time-respecting message passing and latency-aware label propagation that uses only labels available at scoring time, non-anticipative and leakage-free. We operationalize ATLAS with inductive GraphSAGE variants trained via neighbor sampling, at scale on a sessions graph with more than 100M nodes and around 1B edges. On a high-risk digital product at Capital One, ATLAS delivers 6.38 percent AUC improvement and more than 50 percent reduction in customer friction, improving fraud capture while reducing user friction.

This study examines credit default prediction by comparing three techniques, namely SMOTE, SMOTE-Tomek, and ADASYN, that are commonly used to address the class imbalance problem in credit default situations. Recognizing that credit default datasets are typically skewed, with defaulters comprising a much smaller proportion than non-defaulters, we began our analysis by evaluating machine learning (ML) models on the imbalanced data without any resampling to establish baseline performance. These baseline results provide a reference point for understanding the impact of subsequent balancing methods. In addition to traditional classifiers such as Naive Bayes and K-Nearest Neighbors (KNN), our study also explores the suitability of advanced ensemble boosting algorithms, including Extreme Gradient Boosting (XGBoost), AdaBoost, Gradient Boosting Machines (GBM), and Light GBM for credit default prediction using Boruta feature selection and DBSCAN-based outlier detection, both before and after resampling. A real-world credit default data set sourced from the University of Cleveland ML Repository was used to build ML classifiers, and their performances were tested. The criteria chosen to measure model performance are the area under the receiver operating characteristic curve (ROC-AUC), area under the precision-recall curve (PR-AUC), G-mean, and F1-scores. The results from this empirical study indicate that the Boruta+DBSCAN+SMOTE-Tomek+GBM classifier outperformed the other ML models (F1-score: 82.56%, G-mean: 82.98%, ROC-AUC: 90.90%, PR-AUC: 91.85%) in a credit default context. The findings establish a foundation for future progress in creating more resilient and adaptive credit default systems, which will be essential as credit-based transactions continue to rise worldwide.

We present a wall-to - wall map of dominant tree species in Swedish forests accompanied by pixel - level uncertainty estimates. The tree species classification is based on spatiotemporal metrics derived from Sentinel-1 and Sentinel - 2 satellite data, combined with field observations from the Swedish National Forest Inventory and auxiliary data on geomorphometry and canopy height. We apply an extreme gradient boosting model with Bayesian optimization to relate field observations to satellite-derived features and generate the final species map. Classification uncertainty is quantified using Shannon's entropy of the predicted class probabilities, which provide a spatially explicit measure of model confidence. The final model achieved an overall accuracy of 85% (F1 score = 0.82, Matthews correlation coefficient = 0.81), and mapped species distributions showed strong agreement with official forest statistics (r = 0.96). V ariable importance analysis revealed that the most influential predictors were optical bands from Sentinel - 2, particularly those acquired in spring and summer. This study provides scalable, interpretable, and policy-relevant method for tree species mapping with integrated uncertainty that are well-suited to meet emerging legislative and environmental goals.

Accurate recognition of vessel types from Automatic Identification System (AIS) tracks is essential for safety oversight and combating illegal, unreported, and unregulated (IUU) activity. This paper presents a strait-scale, machine-learning pipeline that classifies moving vessels using only AIS data. We analyze eight days of historical AIS from the Danish Maritime Authority covering the Bornholm Strait in the Baltic Sea (January 22-30, 2025). After forward/backward filling voyage records, removing kinematic and geospatial outliers, and segmenting per-MMSI tracks while excluding stationary periods ($\ge 1$ h), we derive 31 trajectory-level features spanning kinematics (e.g., SOG statistics), temporal, geospatial (Haversine distances, spans), and ship-shape attributes computed from AIS A/B/C/D reference points (length, width, aspect ratio, bridge-position ratio). To avoid leakage, we perform grouped train/test splits by MMSI and use stratified 5-fold cross-validation. Across five classes (cargo, tanker, passenger, high-speed craft, fishing; N=1{,}910 trajectories; test=382), tree-based models dominate: a Random Forest with SMOTE attains 92.15% accuracy (macro-precision 94.11%, macro-recall 92.51%, macro-F1 93.27%) on the held-out test set, while a tuned RF reaches one-vs-rest ROC-AUC up to 0.9897. Feature-importance analysis highlights the bridge-position ratio and maximum SOG as the most discriminative signals; principal errors occur between cargo and tanker, reflecting similar transit behavior. We demonstrate operational value by backfilling missing ship types on unseen data and discuss improvements such as DBSCAN based trip segmentation and gradient-boosted ensembles to handle frequent-stop ferries and further lift performance. The results show that lightweight features over AIS trajectories enable real-time vessel type classification in straits.

In this paper, we present a general specification for Functional Effects Models, which use Machine Learning (ML) methodologies to learn individual-specific preference parameters from socio-demographic characteristics, therefore accounting for inter-individual heterogeneity in panel choice data. We identify three specific advantages of the Functional Effects Model over traditional fixed, and random/mixed effects models: (i) by mapping individual-specific effects as a function of socio-demographic variables, we can account for these effects when forecasting choices of previously unobserved individuals (ii) the (approximate) maximum-likelihood estimation of functional effects avoids the incidental parameters problem of the fixed effects model, even when the number of observed choices per individual is small; and (iii) we do not rely on the strong distributional assumptions of the random effects model, which may not match reality. We learn functional intercept and functional slopes with powerful non-linear machine learning regressors for tabular data, namely gradient boosting decision trees and deep neural networks. We validate our proposed methodology on a synthetic experiment and three real-world panel case studies, demonstrating that the Functional Effects Model: (i) can identify the true values of individual-specific effects when the data generation process is known; (ii) outperforms both state-of-the-art ML choice modelling techniques that omit individual heterogeneity in terms of predictive performance, as well as traditional static panel choice models in terms of learning inter-individual heterogeneity. The results indicate that the FI-RUMBoost model, which combines the individual-specific constants of the Functional Effects Model with the complex, non-linear utilities of RUMBoost, performs marginally best on large-scale revealed preference panel data.

Gradient boosting has become a cornerstone of machine learning, enabling base learners such as decision trees to achieve exceptional predictive performance. While existing algorithms primarily handle scalar or Euclidean outputs, increasingly prevalent complex-structured data, such as distributions, networks, and manifold-valued outputs, present challenges for traditional methods. Such non-Euclidean data lack algebraic structures such as addition, subtraction, or scalar multiplication required by standard gradient boosting frameworks. To address these challenges, we introduce Fréchet geodesic boosting (FGBoost), a novel approach tailored for outputs residing in geodesic metric spaces. FGBoost leverages geodesics as proxies for residuals and constructs ensembles in a way that respects the intrinsic geometry of the output space. Through theoretical analysis, extensive simulations, and real-world applications, we demonstrate the strong performance and adaptability of FGBoost, showcasing its potential for modeling complex data.