Stars and their associated planets originate from the same cloud of gas and dust, making a star's elemental composition a valuable indicator for indirectly studying planetary compositions. While the connection between a star's iron (Fe) abundance and the presence of giant exoplanets is established (e.g. Gonzalez 1997; Fischer & Valenti 2005), the relationship with small planets remains unclear. The elements Mg, Si, and Fe are important in forming small planets. Employing machine learning algorithms like XGBoost, trained on the abundances (e.g., the Hypatia Catalog, Hinkel et al. 2014) of known exoplanet-hosting stars (NASA Exoplanet Archive), allows us to determine significant "features" (abundances or molar ratios) that may indicate the presence of small planets. We test on three groups of exoplanets: (a) all small, R$_{P}$ $<$ 3.5 $R_{\oplus}$, (b) sub-Neptunes, 2.0 $R_{\oplus}$ $<$ R$_{P}$ $<$ 3.5 $R_{\oplus}$, and (c) super-Earths, 1.0 $R_{\oplus}$ $<$ R$_{P}$ $<$ 2.0 $R_{\oplus}$ -- each subdivided into 7 ensembles to test different combinations of features. We created a list of stars with $\geq90\%$ probability of hosting small planets across all ensembles and experiments ("overlap stars"). We found abundance trends for stars hosting small planets, possibly indicating star-planet chemical interplay during formation. We also found that Na and V are key features regardless of planetary radii. We expect our results to underscore the importance of elements in exoplanet formation and machine learning's role in target selection for future NASA missions: e.g., the James Webb Space Telescope (JWST), Nancy Grace Roman Space Telescope (NGRST), Habitable Worlds Observatory (HWO) -- all of which are aimed at small planet detection.

Maximizing fusion performance in tokamaks relies on high energy confinement, often achieved through distinct operating regimes. The automated labeling of these confinement states is crucial to enable large-scale analyses or for real-time control applications. While this task becomes difficult to automate near state transitions or in marginal scenarios, much success has been achieved with data-driven models. However, these methods generally provide predictions as point estimates, and cannot adequately deal with missing and/or broken input signals. To enable wide-range applicability, we develop methods for confinement state classification with uncertainty quantification and model robustness. We focus on off-line analysis for TCV discharges, distinguishing L-mode, H-mode, and an in-between dithering phase (D). We propose ensembling data-driven methods on two axes: model formulations and feature sets. The former considers a dynamic formulation based on a recurrent Fourier Neural Operator-architecture and a static formulation based on gradient-boosted decision trees. These models are trained using multiple feature groupings categorized by diagnostic system or physical quantity. A dataset of 302 TCV discharges is fully labeled, and will be publicly released. We evaluate our method quantitatively using Cohen's kappa coefficient for predictive performance and the Expected Calibration Error for the uncertainty calibration. Furthermore, we discuss performance using a variety of common and alternative scenarios, the performance of individual components, out-of-distribution performance, cases of broken or missing signals, and evaluate conditionally-averaged behavior around different state transitions. Overall, the proposed method can distinguish L, D and H-mode with high performance, can cope with missing or broken signals, and provides meaningful uncertainty estimates.

Machine learning (ML) has been playing important roles in drug discovery in the past years by providing (pre-)screening tools for prioritising chemical compounds to pass through wet lab experiments. One of the main ML tasks in drug discovery is to build quantitative structure-activity relationship (QSAR) models, associating the molecular structure of chemical compounds with an activity or property. These properties -- including absorption, distribution, metabolism, excretion and toxicity (ADMET) -- are essential to model compound behaviour, activity and interactions in the organism. Although several methods exist, the majority of them do not provide an appropriate model's personalisation, yielding to bias and lack of generalisation to new data since the chemical space usually shifts from application to application. This fact leads to low predictive performance when completely new data is being tested by the model. The area of Automated Machine Learning (AutoML) emerged aiming to solve this issue, outputting tailored ML algorithms to the data at hand. Although an important task, AutoML has not been practically used to assist cheminformatics and computational chemistry researchers often, with just a few works related to the field. To address these challenges, this work introduces Auto-ADMET, an interpretable evolutionary-based AutoML method for chemical ADMET property prediction. Auto-ADMET employs a Grammar-based Genetic Programming (GGP) method with a Bayesian Network Model to achieve comparable or better predictive performance against three alternative methods -- standard GGP method, pkCSM and XGBOOST model -- on 12 benchmark chemical ADMET property prediction datasets. The use of a Bayesian Network model on Auto-ADMET's evolutionary process assisted in both shaping the search procedure and interpreting the causes of its AutoML performance.

This study introduces a specialized pipeline designed to classify the concentration state of an individual student during online learning sessions by training a custom-tailored machine learning model. Detailed protocols for acquiring and preprocessing EEG data are outlined, along with the extraction of fifty statistical features from five EEG signal bands: alpha, beta, theta, delta, and gamma. Following feature extraction, a thorough feature selection process was conducted to optimize the data inputs for a personalized analysis. The study also explores the benefits of hyperparameter fine-tuning to enhance the classification accuracy of the student's concentration state. EEG signals were captured from the student using a Muse headband (Gen 2), equipped with five electrodes (TP9, AF7, AF8, TP10, and a reference electrode NZ), during engagement with educational content on computer-based e-learning platforms. Employing a random forest model customized to the student's data, we achieved remarkable classification performance, with test accuracies of 97.6% in the computer-based learning setting and 98% in the virtual reality setting. These results underscore the effectiveness of our approach in delivering personalized insights into student concentration during online educational activities.

This paper proposes a financial fraud detection system based on improved Random Forest (RF) and Gradient Boosting Machine (GBM). Specifically, the system introduces a novel model architecture called GBM-SSRF (Gradient Boosting Machine with Simplified and Strengthened Random Forest), which cleverly combines the powerful optimization capabilities of the gradient boosting machine (GBM) with improved randomization. The computational efficiency and feature extraction capabilities of the Simplified and Strengthened Random Forest (SSRF) forest significantly improve the performance of financial fraud detection. Although the traditional random forest model has good classification capabilities, it has high computational complexity when faced with large-scale data and has certain limitations in feature selection. As a commonly used ensemble learning method, the GBM model has significant advantages in optimizing performance and handling nonlinear problems. However, GBM takes a long time to train and is prone to overfitting problems when data samples are unbalanced. In response to these limitations, this paper optimizes the random forest based on the structure, reducing the computational complexity and improving the feature selection ability through the structural simplification and enhancement of the random forest. In addition, the optimized random forest is embedded into the GBM framework, and the model can maintain efficiency and stability with the help of GBM's gradient optimization capability. Experiments show that the GBM-SSRF model not only has good performance, but also has good robustness and generalization capabilities, providing an efficient and reliable solution for financial fraud detection.

This paper introduces OGBoost, a scikit-learn-compatible Python package for ordinal regression using gradient boosting. Ordinal variables (e.g., rating scales, quality assessments) lie between nominal and continuous data, necessitating specialized methods that reflect their inherent ordering. Built on a coordinate-descent approach for optimization and the latent-variable framework for ordinal regression, OGBoost performs joint optimization of a latent continuous regression function (functional gradient descent) and a threshold vector that converts the latent continuous value into discrete class probabilities (classical gradient descent). In addition to the stanadard methods for scikit-learn classifiers, the GradientBoostingOrdinal class implements a "decision_function" that returns the (scalar) value of the latent function for each observation, which can be used as a high-resolution alternative to class labels for comparing and ranking observations. The class has the option to use cross-validation for early stopping rather than a single holdout validation set, a more robust approach for small and/or imbalanced datasets. Furthermore, users can select base learners with different underlying algorithms and/or hyperparameters for use throughout the boosting iterations, resulting in a `heterogeneous' ensemble approach that can be used as a more efficient alternative to hyperparameter tuning (e.g. via grid search). We illustrate the capabilities of OGBoost through examples, using the wine quality dataset from the UCI respository. The package is available on PyPI and can be installed via "pip install ogboost".

The North Slope of Alaska is dominated by small waterbodies that provide critical ecosystem services for local population and wildlife. Detailed information on the depth of the waterbodies is scarce due to the challenges with collecting such information. In this work we have trained a machine learning (Random Forest Regressor) model to predict depth from multispectral Landsat data in waterbodies across the North Slope of Alaska. The greatest challenge is the scarcity of in situ data, which is expensive and difficult to obtain, to train the model. We overcame this challenge by using modeled depth predictions from a prior study as synthetic training data to provide a more diverse training data pool for the Random Forest. The final Random Forest model was more robust than models trained directly on the in situ data and when applied to 208 Landsat 8 scenes from 2016 to 2018 yielded a map with an overall $r^{2}$ value of 0.76 on validation. The final map has been made available through the Oak Ridge National Laboratory Distribute Active Archive Center (ORNL-DAAC). This map represents a first of its kind regional assessment of waterbody depth with per pixel estimates of depth for the entire North Slope of Alaska.

Random forests are widely used in regression. However, the decision trees used as base learners are poor approximators of linear relationships. To address this limitation we propose RaFFLE (Random Forest Featuring Linear Extensions), a novel framework that integrates the recently developed PILOT trees (Piecewise Linear Organic Trees) as base learners within a random forest ensemble. PILOT trees combine the computational efficiency of traditional decision trees with the flexibility of linear model trees. To ensure sufficient diversity of the individual trees, we introduce an adjustable regularization parameter and use node-level feature sampling. These modifications improve the accuracy of the forest. We establish theoretical guarantees for the consistency of RaFFLE under weak conditions, and its faster convergence when the data are generated by a linear model. Empirical evaluations on 136 regression datasets demonstrate that RaFFLE outperforms the classical CART and random forest methods, the regularized linear methods Lasso and Ridge, and the state-of-the-art XGBoost algorithm, across both linear and nonlinear datasets. By balancing predictive accuracy and computational efficiency, RaFFLE proves to be a versatile tool for tackling a wide variety of regression problems.

With the expansion of data availability, machine learning (ML) has achieved remarkable breakthroughs in both academia and industry. However, imbalanced data distributions are prevalent in various types of raw data and severely hinder the performance of ML by biasing the decision-making processes. To deepen the understanding of imbalanced data and facilitate the related research and applications, this survey systematically analyzing various real-world data formats and concludes existing researches for different data formats into four distinct categories: data re-balancing, feature representation, training strategy, and ensemble learning. This structured analysis help researchers comprehensively understand the pervasive nature of imbalance across diverse data format, thereby paving a clearer path toward achieving specific research goals. we provide an overview of relevant open-source libraries, spotlight current challenges, and offer novel insights aimed at fostering future advancements in this critical area of study.

Transfers in professional football (soccer) are risky investments because of the large transfer fees and high risks involved. Although data-driven models can be used to improve transfer decisions, existing models focus on describing players' historical progress, leaving their future performance unknown. Moreover, recent developments have called for the use of explainable models combined with uncertainty quantification of predictions. This paper assesses explainable machine learning models based on predictive accuracy and uncertainty quantification methods for the prediction of the future development in quality and transfer value of professional football players. Using a historical data set of data-driven indicators describing player quality and the transfer value of a football player, the models are trained to forecast player quality and player value one year ahead. These two prediction problems demonstrate the efficacy of tree-based models, particularly random forest and XGBoost, in making accurate predictions. In general, the random forest model is found to be the most suitable model because it provides accurate predictions as well as an uncertainty quantification method that naturally arises from the bagging procedure of the random forest model. Additionally, our research shows that the development of player performance contains nonlinear patterns and interactions between variables, and that time series information can provide useful information for the modeling of player performance metrics. Our research provides models to help football clubs make more informed, data-driven transfer decisions by forecasting player quality and transfer value.