Decision Trees

Distributional random forests replace mean-based CART splitting with criteria that compare the full conditional response distribution in candidate children. We implement and systematically study a family of such criteria inside a single honest-forest implementation: isotropic random-Fourier-feature maximum mean discrepancy (MMD), an anisotropic diagonal-bandwidth variant, an adaptive per-split frequency-selection variant, and a non-kernel sliced-Wasserstein criterion, together with post-hoc kernel-mean shrinkage of the forest weights. Using paired-seed comparisons across synthetic quantile mechanisms, real univariate benchmarks, a California-housing subsample curve, and multivariate synthetic and real responses, we characterize where each extension pays. Three findings recur. First, among distributional criteria ordinary isotropic MMD is already close to best in class: the anisotropic, adaptive-frequency, and sliced-Wasserstein extensions, and post-hoc shrinkage, do not systematically improve on it. Second, on scalar tabular regression mean-based CART splitting remains the robust default and wins many cells. Third, multivariate responses are the regime where distributional splitting clearly earns its keep, most sharply on a pure-dependence copula where the energy score separates the criteria even though marginal CRPS does not. The evidence supports a simple allocation story: distributional splitting helps only when non-location structure is both present and estimable; otherwise it dilutes split-selection power away from the mean. All criteria, the honest forest, and the paired-comparison harness are implemented in the open-source \texttt{drforest} library, whose Rust-backed split search makes broad criterion sweeps inexpensive.

In this paper, we propose a method for predicting bone volume fraction (BVF) and fracture position by constructing a random forest model based on multichannel S-parameters. A nine-antenna microwave scanning system is designed and fabricated to acquire the multichannel S-parameter data. Bone-mimicking phantoms are developed, and corresponding experiments are conducted to validate the effectiveness of the proposed approach. Both synthetic and experimental results demonstrate the validity of the method.

Multiclass classification is a fundamental problem across a wide range of domains. It is still challenging due to possession of high inter-class similarity, class imbalance datasets, and variability in data distributions. Rule-based classifiers such as XGBoost often achieve stronger performance on structured features, but they are limited in capturing smooth functional relationships among variables. Similarly, neural network models can represent complex nonlinear interactions but frequently suffer from overfitting and generalization issues. To address these limitations, we propose LFS-FRAME, a Leakage-Free Stacked ensemble framework that integrates functional learning using Kolmogorov-Arnold Networks (KAN) and rule-based learning via XGBoost for robust multiclass classification. The proposed framework constructs unbiased meta-features by employing a strict out-of-fold stacking strategy to ensure complete isolation between training and validation data hence preventing performance leakage. By learning over probabilistic outputs from heterogeneous base learners, the meta-classifier effectively exploits both global functional patterns and sharp decision boundaries present in the complex data. Experimental evaluations on multi-class datasets demonstrate that LFS-FRAME improves performance metrics, and overall accuracy is 89.85% in identifying major families and 81.74% in identifying sub-families relative to strong single-model baselines. These results highlight the effectiveness of leakage-free functional and rule-based stacking for reliable and generalizable multiclass classification.

Longitudinal studies often collect data at sparse, irregular, and unequally spaced time points. Such heterogeneity is often driven by subject-specific covariates, yet existing methods have been restricted to a scalar endpoint value, completely neglecting the underlying response trajectories. We propose a novel Longitudinal Random Forest (LRF) framework that leverages tree-based ensemble machine learning with adaptive node-wise longitudinal trajectory estimation. The LRF framework makes five methodological contributions. it captures each subject's individual response trajectory while simultaneously accommodating within-node correlation, between-node heterogeneity, and nonlinear and interactive covariate effects. It introduces a novel trajectory-based splitting criterion that maximizes trajectory separation while incorporating a size-weighted penalty; it provides two variants, Principal Analysis by Conditional Expectation (LRF-PACE) and adaptive linear mixed-effects models (LRF-adaptiveLMM), which employ nonparametric and semiparametric node-wise smoothers, respectively, while learning covariate effects in a data-driven manner. It provides a comprehensive interpretation of covariates using both the classical trajectory-based permutation variable importance measure (PVIM) and a newly proposed finite-way interaction frequency count, and it not only predicts entire trajectories for new subjects but also forecasts future trajectories for existing subjects. Extensive simulation studies demonstrate that LRF achieves superior performance over several competing methods, even under severe sparsity. The practical significance of the LRF framework lies in its ability to address five important clinical questions.

Ordinal Classification (OC) deals with classification tasks where the classes follow a natural order. Despite the progress in OC, many existing approaches fail to fully leverage the ordinal information, treating the problem as nominal classification and thereby losing performance potential. In this work, ADABORD, an AdaBoost framework specifically designed for ordinal classification problems, is introduced. The ordinal nature of the classes is incorporated into two key components of the well-known AdaBoost algorithm: 1) the base estimator, where decision trees with the ordinal Gini splitting criterion are proposed; 2) the error function used to update sample weights at each stage and the weights of the classifier in the final ensemble model, given by the absolute ranked probability score, a measure that accounts for both the ordering and the distance between classes. ADABORD is extensively compared against seven state-of-the-art methods on the TOC-UCO repository, the largest benchmark collection for OC to date. The experimental results, supported by statistical analysis, show that ADABORD significantly outperforms competing methods, particularly on datasets with five or more classes, where the ordinal structure becomes more pronounced. Source code, along with all experimental protocols, is publicly available to ensure reproducibility and facilitate future research in OC.

Fraud detection systems must scale with rising transaction volume while remaining explainable and reviewable. We study a layered pipeline on the PaySim dataset that combines a gradient-boosted classifier, graph-derived structural features, an autoencoder-based anomaly signal, TreeSHAP explanations, and a bounded LLM investigation agent applied to cases the classifier scores uncertainly. Before any model comparison, we identify and remove a simulator-specific balance shortcut that would otherwise inflate baseline performance. After this correction, neither the graph features nor the anomaly signal improves Average Precision on the full test set. Both, however, rank fraud better within the subset of cases receiving intermediate baseline scores. In a controlled experiment with injected multi-account fraud rings, engineered structural features recover all injected test transactions, while the tabular baseline misses roughly a quarter of them. The investigation agent underperforms direct thresholding of the classifier it relies on, reaching 65.0% accuracy against 71.7% on a balanced 60-case sample, despite having access to model explanations, graph context, and retrieved reference cases. Of the eight decisions the agent changed, six replaced correct classifier outputs with errors, and it produced a coherent written rationale in each case. An exploratory disagreement-based escalation rule flagged two of these agent errors for human review without flagging any correct decision. We conclude that each component of a layered fraud system contributes only under specific conditions, and that a plausible rationale from an investigation agent is not evidence of a better decision.

Polycystic Ovarian Syndrome (PCOS) is a widespread hormone problem for women of childbearing age. Women with PCOS may not ovulate; they might have high levels of androgens and have many small cysts on the ovaries. It can cause missed or irregular menstrual periods, excess hair growth, acne, infertility, and weight gain. Machine Learning (ML) can effectively diagnose this disease at an earlier stage as tons of medical data are available now. Traditional approaches to detect PCOS encompass a combination of clinical evaluation, medical history assessment, physical examination, and laboratory tests. These approaches aim to identify the characteristic symptoms and hormonal imbalances associated with PCOS. Physical examination requires good resources and costs time and money. In recent times, data-driven techniques have substantially advanced disease prediction within the medical field. We aim to utilize ML approaches, incorporating unique feature selection algorithms, to predict PCOS. This paper introduces a data-driven approach to PCOS diagnosis, combining Feature Engineering and ML. Several feature selection approaches have been considered to select sets of features for training the ML model, including CatBoost, Extreme Gradient Boosting (XGBoost), Light Gradient Boosting Machine (LGBM), AdaBoost, Random Forest (RF). Results demonstrate that AdaBoost, with ten features selected by RF Feature Importance and Highest Correlation (HC), provides the highest test accuracy.

Explainable AI (XAI) for time series has seen significant algorithmic growth, but its utility in providing measurable performance gains for downstream tasks remains under-explored. This paper bridges this gap by introducing drXAI, a novel methodology that repurposes XAI attribution methods for effective data reduction in Time Series Classification (TSC). The core challenge in modern TSC is scalability; state-of-the-art models, such as Transformers, exhibit quadratic complexity relative to sequence length and linear complexity relative to the number of channels. This renders them computationally prohibitive for massive datasets. drXAI addresses this by using a fast, GPU-accelerated classifier (Hydra) to generate local attributions. We aggregate these into global feature importance scores and employ an automated elbow-cut heuristic to select the most salient features without requiring manual thresholds. We evaluate our approach on both synthetic and real-world univariate and multivariate datasets. On synthetic benchmarks, drXAI successfully recovers ground-truth features where traditional baselines fail. On real-world data, drXAI achieves between 80% and 90% data reduction while maintaining classification accuracy comparable to models trained on the full dataset. Most importantly, we show that drXAI allows resource-intensive models like ConvTran to scale to datasets that were previously inaccessible due to memory constraints. Our results show the benefits of using XAI not just for interpretability, but as a robust tool for feature selection and scalability in time series analysis. All our code and data are openly available.

Decision trees generate interpretable if--then rules, yet they contain irrelevant conditions (IRCs). These IRCs arise from the structural mechanism of tree splitting and persist even in modern optimal sparse tree induction algorithms. Existing IRC deletion methods overlook this structural mechanism; therefore, they either preserve the original tree too loosely to remain reliable, or too strictly to achieve meaningful simplification. This study provides theoretical foundations for reliable IRC deletion by establishing theorems and propositions related to the underlying IRC mechanism. The key finding is that a binary split shifts class proportions in opposite directions relative to the parent. Specifically, an increase in the class-1 proportion along one branch necessitates an increase in the class-0 proportion along its sibling, thereby generating a C1-link and a C0-link. Based on this structural fact, we propose a structural IRC deletion framework. Relative to each leaf, links that increase the leaf-class proportion are matched, whereas links that increase the proportion of the opposite leaf-class are mismatched. These mismatched links are flagged as structurally suspicious IRC candidates. Rather than deleting them outright, the framework rigorously diagnoses their relevance by assessing prediction reliability. It selectively deletes conditions that are structurally and empirically irrelevant, while strictly protecting those whose deletion would reduce the rule's reliability. Experimental results confirm that the proposed framework achieves substantial rule simplification without sacrificing the reliability of the original tree.

Boosting is one of the most successful learning techniques for standard classification and regression tasks. Its extension to multi-output prediction problems has found an increasing number of applications in recent years. Among them is the prediction of entire conditional distributions rather than single functionals, which can often be framed as a multi-output regression problem, for example multiple quantile regression. Addressing such problems with classical implementations of boosting is computationally challenging, because usually one base model is trained for each target at every iteration. More efficient variants of boosting have been proposed to speed up training, but they tend to be tied to specific loss functions and classes of base learners, usually decision trees. In this work, we study a modification of the gradient boosting algorithm, which we call parallel gradient boosting, designed to circumvent all these limitations. The core idea is to use a common descent direction for all training observations. By doing so, only one base model is needed at each iteration, regardless of the number of targets, which allows for considerable performance gains. We establish sufficient conditions for the convergence of the algorithm, whose practical use is introduced via the multiple quantile regression setting. We show that in such a setting, it provides predictions of similar quality to state-of-the-art boosting libraries such as XGBoost, while being faster by several orders of magnitude. Then, we evaluate the properties of the resulting conditional distribution estimator, which is shown empirically to outperform other nonparametric and semiparametric estimators, especially in high-dimensional settings and in the presence of mixed and/or missing covariates.

Global fits in high energy physics and cosmology often face the challenge of exploring high-dimensional parameter spaces with computationally expensive or topologically complex likelihood functions. In this work, we present a Machine Learning framework designed to emulate complex, often non-Gaussian likelihood landscapes using gradient-boosted regression trees (XGBoost). We discuss the advantages of the Machine Learning approach in terms of computational efficiency and the resolution of confidence regions, particularly in scenarios with complex correlations or "curved" degeneracies. We validate this methodology by applying it to a recent analysis on flavour anomalies in semileptonic $B$ meson decays and discussing the adaptability of this framework to other phenomenological systems, such as axion-like particles or cosmology global fits. Finally, we utilise SHAP (Shapley Additive exPlanations) values to provide a transparent analysis of feature importance, ensuring that the Machine Learning predictions remain physically interpretable and consistent with the underlying physics.

Neural networks increasingly guide decisions in high-stakes domains such as medical diagnosis, credit approval, and energy bidding. Audit in these settings requires case-level evidence: which training cases support an action and what outcomes they carried. Case-based decision theory (CBDT) formalizes this reasoning by aggregating outcome support from remembered cases. We show that an OLS action readout fitted on a fixed neural representation admits an exact case-based decomposition. Each action score is a weighted sum of training-case returns, with coefficients determined by empirical Gram geometry. We identify a sufficient regime for CBDT similarity semantics; outside it, the coefficients should generally be treated as signed Gram-geometric influence. The decomposition yields audit signals that trace scores to training cases, measure action coherence, and identify weak support. Across synthetic CBDT, PJM, Adult Income, and Default Credit tasks, the method recovers case-level preference structure and achieves the highest mean Top-30 consistency among compared attribution baselines, while remaining competitive on support reconstruction. The audit requires only fitting an OLS top-layer probe, without retraining the representation or accessing the original optimization trajectory; probe fidelity is measured by score reconstruction.

Tree crowns are a challenging target for resilient AI because they are not static objects: their spectral response, internal texture, translucency, and apparent boundaries change substantially across the growing season. We develop PhenoEmbed, a self-supervised crown-centric temporal embedding model trained with contrastive and masked reconstruction objectives on HeideBench, an 18-date UAV multispectral time-series benchmark for forest crown phenology in D{ö}lauer Heide. The model treats seasonal crown dynamics as phenological appearance change driven by leaf emergence, canopy closure, senescence, and leaf-off conditions. Segmented tree crown polygons are retained as object anchors to extract aligned crown-centered crops through time, allowing one 256-dimensional vector summarizing seasonal crown appearance to be learned per tree. On 5,885 crop-safe crowns, the exported embeddings show structured low-dimensional organization, with the first two principal components explaining 25.1% of variance and nearest-neighbor retrieval producing a median top-1 cosine similarity of 0.946. Compared with handcrafted temporal features and a learned mean-pooling baseline, PhenoEmbed yields substantially more compact nearest-neighbor structure, while ablations show that the contrastive loss, masked reconstruction loss, and explicit seasonal time features each affect the structure of the learned embedding space. These results support PhenoEmbed as a reusable forest crown representation learner and motivate future downstream tests of whether such features improve tree-level models under seasonal change.

Flexible machine-learning methods can be sensitive to hidden confounding: they may learn associations induced by unobserved confounders rather than stable signals. Spectral deconfounding mitigates this problem by shrinking high-variance directions of the covariate matrix that, under dense confounding, carry latent confounder information. Existing work has largely focused on linear models. We develop a nonlinear spectral deconfounding framework for gradient boosting. Our approach replaces the ordinary squared-error loss by a spectral loss, which alters the boosting dynamics by slowing down learning in confounding-aligned directions. We show that deconfounding is not achieved by the spectral loss alone, but by the interaction between spectral shrinkage and regularization, especially in terms of early stopping. Moreover, we provide a mixed-model interpretation that connects LAVA-type shrinkage to random-effects adjustment and yields an empirical-Bayes procedure for tuning the spectral loss. We also extend the method to general likelihoods and nonlinear confounding using Laplace approximations and kernel random effects. Across synthetic and real-world experiments, spectrally deconfounded boosting improves estimation of the target function under hidden confounding and is substantially more scalable than existing nonlinear spectral deconfounding baselines.

Accurate poverty mapping using satellite imagery is often hindered by (i) noisy and sparse survey-derived supervision, (ii) image quality issues such as cloud cover and image corruption, and (iii) lack of explicit spatial structure in image-only models. Building on the KidSat framework, we develop an enhanced pipeline that improves predictive accuracy via refined data preprocessing, systematic image quality assessment, and mathematically defined geographic encoding. First, we refine the fine-tuning target matrix by resolving high-cardinality sparsity and reducing one-hot dimensionality from 103 to 51 via DHS re-aggregation. Second, we introduce a simple two-stage quality-screening procedure to filter heavily clouded or corrupted observations. Third, we fuse DINOv2 visual embeddings with Spherical Harmonics (SH) location features. Across extensive experiments, these changes reduce MAE from 0.2167 to 0.1759, corresponding to an 18.83% relative reduction on the cluster-level severe-deprivation proportion scale. When extended from 16 to 33 African countries, the best-performing configuration achieves an overall MAE of 0.1658. We find that SH features consistently improve performance over the image-only backbone, whereas higher-capacity coordinate Multi Layer Perception augmentation (SH+SIREN) can underperform without carefully designed objectives. Finally, gradient-boosted tree heads (XGBoost/LightGBM) most effectively exploit nonlinear interactions in the fused visual-geographic representation. These findings provide a scalable and principled recipe for improving satellite-based socioeconomic predictions using only publicly accessible data.

We present path_boost, a Python package for interpretable supervised learning on graph-structured input data. The package implements PathBoost, a gradient boosting algorithm that automatically discovers predictive labeled paths within graphs during the learning process. Unlike graph neural networks, which are generally difficult to interpret, PathBoost produces an additive prediction model over path-based features that explicitly reveals which substructures drive predictions. To avoid an exhaustive enumeration of all possible paths, the algorithm iteratively selects and extends paths during learning based on their predictive power, using boosting to combine weak learners into a strong ensemble. The package supports both regression and binary classification. Key features include compatibility with scikit-learn workflows, support for custom base learners and selectors, automatic starting node selection, parallel training across anchor nodes, and built-in variable importance computation. We demonstrate PathBoost on molecular property prediction of transition metal compounds, where atoms serve as nodes and bonds as edges, and further benchmark PathBoost against an established graph neural network and a graph kernel method across six molecular datasets. The package is available on PyPI and GitHub under an open-source license.

Explainability remains a key issue in reinforcement learning (RL). Distilling an interpretable policy from an agent trained in a complex environment is particularly challenging when the action space is continuous. We introduce ORCAID, a novel method for extracting interpretable rule-based policies from RL agents operating in mixed continuous-discrete environments with continuous action spaces. Our main contribution is an efficient oblique decision tree training algorithm that partitions the state space by hyperplanes and fits local linear models. The key idea lies in a three-stage split search: efficient random initialization, local refinement, and backward elimination. Finally, adjacent leaves are merged to yield a concise set of interpretable rules describing a given deep RL policy. We evaluate ORCAID across multiple RL environments, demonstrating that the extracted rule-based policies maintain strong performance with a low number of parameters and can even be used to improve the performance of the original deep RL policy.

The XAI community has studied a wide range of queries and scores for explaining predictions of ML models. From a data management perspective, this proliferation of explanation notions calls for declarative query languages in which such notions can be specified, combined, and analyzed uniformly. In this paper, we develop such a framework for Boolean models. We first revisit FOIL, an interpretability query language for black-box models, and show that it has two fundamental limitations: it cannot express central optimality-based explanation queries, and its evaluation problem over decision trees is hard for every level of the polynomial hierarchy. We then introduce ExplAIner, a query language based on FOIL with an extended vocabulary and a layered structure. We show that ExplAIner can express a broad family of explanation notions, including abductive, contrastive, feature-based, and distance-based queries. We also prove that the evaluation problem for each query in ExplAIner belongs to the Boolean hierarchy over every class of Boolean models for which some basic predicates can be evaluated in polynomial time. In particular, that property holds for deterministic and decomposable Boolean circuits. Finally, we introduce Opt-FOIL, an optimization-oriented fragment of ExplAIner for computing explanations that are minimal with respect to strict partial orders, and prove that its evaluation problem is in $\mathrm{FP}^{\mathrm{NP}}$ under the same tractability assumptions. These complexity results have a direct algorithmic consequence: a fixed ExplAIner query can be evaluated with a fixed number of calls to a SAT solver, while a notion of explanation specified in Opt-FOIL can be computed with a polynomial number of such calls. This is particularly relevant in formal XAI, where SAT solvers have been successfully used to compute explanations for several classes of ML models.

Conventional modeling approaches for LiDAR-based above-ground biomass (AGB) estimation rely on discrete plot-level inventory aggregates. This methodology introduces boundary-effect uncertainties that may severely degrade model performance within small field plots. To solve this limitation, we evaluate a Horizontal Biomass Distribution (HBD) reference mapped continuously from Quantitative Structure Models (QSMs). We trained a sparse 3D U-Net on simulated broadleaved forest structures using three AGB reference types: a standard forest inventory (FI) plot-level aggregate, an edge-effect-free QSM plot-level aggregate, and a continuous HBD mapping. Evaluating training plot sizes scaling from 100 to 2500 $m^2$ , QSM-based models systematically outperformed FI approaches at small plot sizes. Specifically, for 100 $m^2$ plots, the HBD reference reduced the relative root mean square error (RRMSE) by 16.84 $\pm$ 4.37 % and increased $R^2$ by 0.22 $\pm$ 0.05 against the FI baseline. By replacing plot level aggregates with HBDs as AGB reference, this methodology corrects for edge-effects and shows that using an HBD-based reference enhances model performance for small plot sizes.

Conventional traction control architectures intervene only after the adhesion limit of a tire has already been breached. This paper investigates whether Rolling Split Conformal Prediction , monitoring the volatility of non-conformity residuals from a per-driver Random Forest model of expected slip behavior , can serve as a statistically grounded pre-incident warning signal, ahead of gross traction loss. Unlike an earlier internal draft of this work, the evaluation reported here corrects a confound in the slip proxy (vehicle speed is included as an explicit model feature, not left implicit in the target's denominator), uses every racing lap for each driver rather than only the fastest lap, and is scored against real, timestamped incident labels extracted from FIA Race Control Messages and track-limits lap deletions rather than narrated post-hoc. The result is negative: across 19 drivers and 55,563 test-phase telemetry samples, the rolling-volatility detector achieves a mean precision of essentially 0.0 and mean recall of 0.0 against 14 ground-truth incidents, while flagging on average 15.3% of all samples as anomalous , too high a false-alarm rate for any early-warning use. A static 95th-percentile threshold baseline performs no better in any way that would justify the added complexity of the conformal-volatility formulation. Residual autocorrelation diagnostics show the split-conformal exchangeability assumption is violated for every driver (Ljung-Box p < 0.001, n = 19/19), which is one plausible driver of the high false-alarm rate. We report this as a methodologically rigorous negative finding, diagnose its likely causes, and outline what a genuinely predictive version of this approach would require.

Ensuring model reliability in Explainable AI requires a global assessment of the hypothesis space. We propose a formal framework for the exhaustive analysis of optimal and near-optimal decision trees, called Algebraic Decision Tree Counting (ADTC). Inspired by Algebraic Model Counting (AMC) in knowledge representation, ADTC reformulates diverse analytical tasks, such as optimization, counting, and sampling, into a unified sum-of-products computation over a semiring $R$. While the hypothesis space of decision trees is doubly exponential with respect to the maximum depth $Δ$, our dynamic programming algorithm achieves $O^*(n^{O(Δ)})$ time complexity in the number of features $n$, where $O^*$ suppresses polynomial factors. To handle complex constraints consisting of multiple tree metrics, we introduce model behavior tensors that aggregate semiring values via convolution products over a tensor semiring. This algebraic approach efficiently constructs a model profile that captures the global landscape and trade-offs between criteria such as accuracy, size, and fairness. We demonstrate the utility of our software, emtrees, on real-world datasets, illustrating how ADTC facilitates evidence-based model selection in sensitive domains.

Conditional inference trees (CIT) and conditional inference forests (CIF) reduce split-selection bias by testing features before choosing split thresholds, but repeated permutation tests and threshold searches can make these methods computationally expensive. We study CIT and CIF as top-$k$ feature-ranking methods for downstream prediction using real-data benchmarks, runtime ablations, and synthetic feature-recovery experiments. At a fixed node, if the features and permutation budget do not depend on the node responses, Bonferroni-corrected $+1$ Monte Carlo permutation $p$-values control nodewise rejection under the complete permutation null. CIF ranks 4th among 17 classification methods on 22 datasets and 3rd among 18 regression methods on 8 datasets. With Bonferroni correction held fixed, the CIF runtime ablations indicate that adaptive stopping and the number of thresholds searched have the largest measured effect on runtime: turning off adaptive stopping and using exact threshold search increase fitting time by 4.0--8.4$\times$ and 1.9--10.8$\times$, respectively, while downstream score changes are at most 0.011. Sparse high-$p$ simulations indicate that forest feature sampling can leave informative features out of many split decisions. Overall, the results support CIF as a top-$k$ feature-ranking method in the evaluated downstream prediction benchmarks.

A total of seven categorical encoding methods were tested on the IEEE-CIS fraud benchmark dataset (590,540 records, 3.5% positives, 8 high-cardinality columns). The encoders were evaluated using a stratified 5-fold cross-validation (CV) with three repetitions. Five of the encoders had identical frozen LightGBM learners in the downstream phase, allowing for controlled comparisons of their performance to each other. CatBoost and TabNet were included as comparisons across paradigms using different learners. The entity embeddings produced the highest AUC-ROC (0.9612), with a statistically significant tie with that of CatBoost (0.9602) and statistically superior to tier group encoding (0.9548), whereas target encoding was only 0.0023 worse than tier group encoding and the auditor-friendly tier boundaries were maintained. Off-the-shelf TabNet did not outperform tree-based pipelines and collapsed under data scarcity. On AUC-PR, CatBoost leads (0.822 vs. 0.793); no encoder dominated both metrics. Per-column analysis confirmed the embedding advantage arises from joint multi-column representation.

Background. Labeled data for security classification is scarce. Semi-supervised learning (SSL) propagates labels from a small labeled pool to larger unlabeled pools. Yet security applications often use SSL as a black box: default parameters, a fixed classifier, and no handling of pseudo-label-induced class imbalance. Aims. Recent work reports sizeable gains from optimizing SSL pipelines via joint search, AutoML, or per-component tuning. These gains are hard to attribute: they may reflect useful SSL-classifier interactions, or mostly from simply tuning the downstream classifier. We disentangle these effects for binary tabular security data with classical SSL and tree-based classifiers. Method. We build SemiScope as an analysis instrument, not a deployment recommendation. It uses Bayesian Optimization to jointly tune SSL settings, confidence filtering, oversampling, and the classifier. The key control, Tuned-Clf, fixes SSL to defaults but gets the same 100-trial classifier budget and validation-set threshold tuning as SemiScope. At 10% labels, we compare them with paired TOST using a +/-1.0 g-measure smallest effect of interest. Results. SemiScope beats every default SSL baseline on all five datasets, improving over the strongest by 0.7-12.7 points. Under the equal-budget control, Tuned-Clf is statistically equivalent to the full pipeline on 4 of 5 datasets; Phishing is inconclusive. Classifier HPO alone recovers a median 86% of SemiScope's gain over Default Self-Training (ST) + Random Forest (RF). Conclusions. The reusable contribution is the decomposition protocol. A simpler recipe suffices: use Self-Training, tune the classifier with Bayesian Optimization, and tune the decision threshold on validation data. It reaches within 1 g-measure of Supervised RF at 20-30% labels on four datasets and 40% on Drebin, at the same or lower label rate than Default ST + RF on every dataset.

Forest attributes are essential for national-scale resource monitoring. Airborne LiDAR metrics are among the auxiliary variables most strongly correlated with forest attributes used in National Forest Inventory (NFI) estimates. However, producing wall-to-wall predictions remains challenging when LiDAR data are acquired under heterogeneous conditions. As national LiDAR programs expand across Europe, variability in sensors, flight parameters, seasons, and scan angles limits the robustness of existing models, which are often calibrated for local conditions. We present FLORA (Forest LiDAR Octree Regression with Auxiliary Data), a deep learning framework that predicts six forest attributes: dominant height, total volume, deciduous volume, coniferous volume, basal area, and stem density from heterogeneous LiDAR point clouds. FLORA combines an octree-based backbone with ecological and spatiotemporal auxiliary variables through a late-fusion gating mechanism. Models are trained and evaluated on 32,052 National Forest Inventory plots across mainland France using data from the French LiDAR HD program. A single model trained on both leaf-on and leaf-off acquisitions outperforms season-specific models and improves cross-season robustness. Auxiliary variables provide modest overall gains but contribute more strongly to species-specific volume prediction. FLORA achieves an rRMSE of about 12.3% (R2 = 0.88) for dominant height and 39% (R2 = 0.74) for total volume, providing a robust baseline for large-scale forest attribute estimation from heterogeneous national LiDAR programs.

Human-labeled data are widely used as reference annotations in ML, despite known variability across annotators in many expert-driven domains. In addition, expert annotation is slow, inconsistent, and remains a major bottleneck for scaling tasks like tree height bias classification in forestry remote sensing. We propose a multi-agent system (MAS) that orchestrates expert decision trees with Vision-Language Models (VLMs), treating the decision tree as a structural prior while VLMs perform localized semantic perception at individual nodes, with multi-agent voting to mitigate VLM stochasticity. We formalize a Decoupled Declarative Decision (D3) Framework that enables zero-modification generalization across diverse expert-defined decision structures. On a tree bias classification testbed, our framework outperforms supervised ML baselines and reduces the amount of expert labeling effort required. These results suggest that agentic orchestration of VLMs with expert priors can reproduce expert-defined labeling procedures at substantially lower annotation cost while maintaining interpretability.

Recent work has shown that well-optimized individual decision trees can match complex black box models in some settings, primarily in noisy domains. For the remaining settings, however, complex ensembled compositions of trees often achieve higher accuracy at the cost of interpretability, leaving practitioners with difficult modeling decisions along an accuracy-interpretability tradeoff. Ideally, we would like to classify as much of the data as possible with one or a small number of trees, achieving interpretability for most samples while maintaining state-of-the-art accuracy. We introduce Multistage Defer Trees: a sequence of sparse decision trees that each make predictions for most samples, while deferring a small proportion to the next tree in the sequence or, ultimately, to a black box. We demonstrate that we can train this model class to match the performance of complex tree-based ensembles while routing most samples through only one or a small number of sparse decision trees. We discuss a range of techniques for training these models while maintaining simplicity. Our method expands the accuracy--interpretability frontier in settings where single-tree methods remain insufficient, demonstrating that even when complex models are necessary, they need not be fully opaque.

The number of trees is a central computational parameter in Random Forests: increasing it reduces finite-ensemble variability but increases training and prediction cost. Plateau-based tuning adapts this parameter through local comparisons of out-of-bag scores at a geometric triplet of tree counts. After the remaining hyperparameters have stabilized, however, the central triplet point need not converge to a deterministic value; instead, it fluctuates around a stationary regime. This paper develops a stationary-distribution theory for this process. The central ensemble size $B_t$ is modeled as a birth-death Markov chain on a geometric grid, and its stationary distribution is derived through local balance. Under a leading centered folded-normal approximation, equilibrium equations are obtained for the original update rule and a symmetric modified variant, implying that the stationary center $B_*=O(\varepsilon^{-2})$ as $\varepsilon\downarrow 0$. The stationary spread is also characterized. A local Gaussian approximation and a Fokker-Planck interpretation give grid-level variance constants. After conversion to the ensemble-size scale, $σ_{B,*}=O(\varepsilon^{-2})$, while the variance is $O(\varepsilon^{-4})$. The leading relative spread is independent of $\varepsilon$ and controlled by the scale factor and update rule. These results interpret plateau-based Random Forest tuning as a stochastic process rather than a deterministic stopping rule.

Cardiac discharge phenotyping informs post-discharge treatment and follow-up, but real-world records are often incomplete and class-imbalanced, increasing the risk of missed high-risk phenotypes. We propose CW-B, a clinical risk-aligned class-weighted XGBoost pipeline for five-class cardiac discharge phenotyping under real-world class imbalance and missingness. CW-B combines fold-specific class-balanced instance weighting, missingness-indicator augmentation, and classwise error auditing to improve recognition of clinically prioritized phenotypes while preserving interpretable and auditable decision logic. In five-fold stratified cross-validation, CW-B achieves the best Accuracy, Macro-F1, Balanced Accuracy, and Prioritized F1 among tree-based, ensemble, and neural baselines. Overall, CW-B provides a practical and deployment-oriented approach for more reliable cardiac discharge phenotyping in real-world clinical settings.

Resampling methods such as SMOTE and random under/over-sampling are standard tools for class-imbalanced classification, almost always evaluated by minority-class accuracy or F1. Prior work has established that undersampling degrades probability calibration by distorting the training prior [1]. We extend this lens to synthetic oversampling (SMOTE) and provide a practical, evidence-based guide to when calibration damage matters and how to fix it. Across five public datasets (imbalance ratio 1.9-70) and two ensemble models (random forest, gradient boosting), with ten seeds and paired statistics, we find: (1) SMOTE's calibration cost is real but small (ECE +0.009; Cliff's delta = +0.27, small-to-moderate) across the studied imbalance range (IR 1.9-70) and its discrimination gains typically outweigh the calibration penalty; (2) random undersampling is the genuine danger -- its damage grows sharply with imbalance, inflating ECE from 0.008 to 0.395 on a dataset with ratio 70, largely because the resulting training sets are too small to estimate probabilities reliably; (3) a single post-hoc recalibration step (Platt or isotonic) eliminates the damage, reducing ECE by up to 66% at a negligible ranking-power cost (AUC -0.002, Cliff's delta = -0.07); and (4) the analytic prior-shift correction that repairs undersampling does not transfer to SMOTE, because SMOTE distorts the class-conditional density rather than only the prior -- so data-driven recalibration remains necessary. We recommend that imbalanced-learning studies report calibration alongside discrimination, and that practitioners recalibrate after resampling whenever predicted probabilities drive decisions.

Gradient boosting in the form of decision tree ensembles has successfully been applied to a variety of problems using simple objective functions based on log-likelihoods of a single variable. The concept extends naturally to objective functions operating on vectors - for example, multinomial logistic log-likelihood for multi-class classification, where observations have a score for each class - but popular frameworks approach these functions by either updating one value of the input vectors at a time, or by using a diagonal upper bound on the second derivative. This work extends the usual gradient boosting framework to functions of vector inputs and sketches a simple algorithm that can be used efficiently with histogram-based decision trees.

In general, an ensemble classifier is more accurate than a single classifier. In this study, we propose an ensemble classifier called the kernel Fisher discriminant analysis forest (KFDA Forest), which is a tree-based ensemble method that applies KFDA. To promote diversity, bootstrap is used, and variable sets are randomly divided into K subsets. KFDA is performed on each subset to increase classification accuracy. KFDA maximizes the distance between classes while minimizing the distance within classes. KFDA can also be applied to classification problems in a nonlinear data structure using the kernel trick because it can transform the input space into a kernel feature space, commonly named a rotation, rather than performing a dimensionality reduction. Because new feature axes and KFDA projections are parallel, decision trees are used as a base classifier. To compare the proposed method with existing ensemble methods, we apply these to real datasets from the UCI and KEEL repositories.

Machine Learning (ML) algorithms, such as k-Nearest Neighbours (kNN) or random forest, eschew the ideal of true data models in favour of predictive performance. However, minimising the MSE or F-score cannot lead to unbiasedness directly, which is important in many situations such as official statistics. We study the conditions of algorithmic ML, other than the existence and knowledge of true data models, which lead to unbiased prediction or classification for a given finite population, including how the training data may be sampled from the population, how a trained prediction algorithm can be tuned to achieve unbiased prediction or classification for that population, and how the performance of out-of-sample prediction or classification can be assessed unbiasedly. The inference is based on the known probability design of samples and training sets, rather than any assumed distributions or models.

Gradient Boosted Decision Trees (GBDT), exemplified by LightGBM, spend a dominant fraction of training time -- typically 65-70% -- constructing per-feature histograms. Existing approaches such as random feature subsampling (feature_fraction) discard features without regard for their predictive utility. We propose EMA-based Feature Screening (EMA-FS), an algorithm-level optimization that maintains an exponential moving average (EMA) of per-feature split gains across boosting iterations and, after a short warmup, restricts histogram construction to the top-K features ranked by historical gain. Unlike random subsampling, EMA-FS is informed: it retains high-gain features while screening out low-gain ones. Operating at the per-tree level, it preserves full compatibility with LightGBM's histogram subtraction trick, requiring no changes to core routines. We evaluate EMA-FS on datasets spanning financial fraud detection, advertising click-through prediction, industrial quality control, and synthetic benchmarks, with feature dimensionalities from 29 to 968. On dense, moderate-to-high-dimensional data it achieves significant speedups: 2.61x on a 500-feature synthetic benchmark and 1.45x on the 432-feature IEEE-CIS Fraud dataset at 30% retention. At 70% retention it improves AUC by 0.11 points while delivering a 1.34x speedup. On extremely sparse data (Bosch, >90% missing) it yields no speedup, as LightGBM's sparse bin optimization already bypasses empty values. We further introduce Stochastic EMA-FS (S-EMA-FS), which replaces deterministic top-K selection with gain-weighted random sampling controlled by a concentration parameter beta, unifying deterministic EMA-FS (beta -> infinity) and random subsampling (beta = 0) in one framework. Both are implemented in ~120 lines of C++ across all six LightGBM tree learners and are fully backward-compatible.

Tabular foundation models (TFMs) achieve strong performance on microbiome abundance data, yet their robustness under realistic distribution shift remains poorly characterized. We introduce a benchmark that evaluates the robustness of TFMs to biologically inspired perturbations across six gut microbiome datasets spanning four disease contexts. In this in-context learning setting, models receive unperturbed support sets as context and are evaluated on perturbed query samples. To isolate robustness beyond "shortcut" features, we preserve the most discriminative taxa and apply three controlled perturbation strategies: (i) removal of high-abundance (uninformative) taxa, (ii) sparsification via increased zero-inflation, and (iii) zero-imputation via spurious non-zero injections. Our results show that protecting discriminative features is insufficient to guarantee stability under support-query shift: across datasets, all perturbations degrade model performance, with zero-imputation consistently the most harmful, indicating that corrupting global feature structure can break generalization even when key taxa are retained. Sparsification disproportionately affects TFMs relative to a classical random forest baseline, suggesting greater sensitivity to zero-inflation-type shifts. The code is publicly available at: https://github.com/UMMISCO/metagenomics-fm/.

In many decision-making scenarios, acquiring information incurs different costs. We consider the problem of constructing a deterministic evaluation strategy that minimizes the expected cost of evaluating a propositional formula under variable costs and a probability distribution over truth assignments. We present a branch-and-bound algorithm with variable-selection heuristics, pruning, and caching. To the best of our knowledge, it is the first practical exact algorithm for this level of generality. Experiments on random instances demonstrate scalability and quantify the efficiency-quality trade-off of a greedy beam-search variant. We additionally evaluate a structured heart-disease diagnosis instance. Finally, we prove that the problem is $\#P$-hard and contained in $\mathrm{PSPACE}$.

Modern finance relies heavily on complex machine learning models to find patterns in the stock market. However, as these AI models get more complicated, they often memorize short-term market noise instead of finding companies with real, lasting value. We designed this research to test if Benjamin Graham's classic value investing rules could act as a mathematical "low-pass filter" to keep these modern models in check. We built three different sets of features - pure Graham rules, modern market factors, and a mix of both - and tested them against highly complex models (XGBoost and AutoGluon) using 20 years of S&P 500 data. By applying a strict buy-and-hold strategy over a four-year test period (March 2022 to March 2026), the results showed that more complex algorithms do not always win. While the AutoGluon model captured high returns (222.68%), it suffered a substantial 39.78% drop because it bought volatile tech stocks right before the market crashed. On the other hand, the pure Graham Random Forest achieved the highest overall return (232.13%) with much less risk (1.38 Calmar Ratio). Furthermore, the Combined Random Forest successfully mixed momentum with Graham's rules, making a 202.91% return while keeping the lowest maximum drop (34.53%) of any model tested. Ultimately, this research proves that Graham's "margin of safety" isn't outdated; it is actually a highly effective way to prevent modern AI from taking on too much risk.

Machine learning models exploit spurious correlations, achieving high average accuracy but failing disproportionately on underrepresented subgroups. Existing methods address this by adjusting network parameters, guided either by subgroup annotations or inferred pseudo-group labels. Yet at inference, these methods produce only a class prediction, with no insight into a sample's latent subgroup. We propose neural classification trees (NCT), a framework that achieves robustness by encoding subgroup structure in its tree-shaped architecture. By routing each sample to an "easy" or "hard" node of this tree -- based on prediction correctness -- and reusing these routes as pseudo-labels for the next iteration, NCT disentangles conflicting subgroups, without requiring subgroup supervision. We evaluate NCT on five benchmarks spanning binary and multi-class spurious correlations. Our experiments show that the learned tree topology provides strong interpretability by consistently isolating minority subgroups, which provides a transparent mapping between the model architecture and the data's latent group structure, while yielding competitive robustness with state-of-the-art methods.

Accurate short-term electricity demand forecasting is critical for reliable power system operation, energy market planning, and infrastructure optimization. This paper presents a hybrid framework combining a Transformer encoder for temporal feature extraction with gradient-boosted decision trees (XGBoost) for daily electricity demand forecasting across New England. The framework integrates meteorological observations from six cities spanning all six New England states, calendar and holiday effects, autoregressive demand lags, and COVID-19 epidemiological variables. Hyperparameter optimization uses Optuna with a multivariate Tree-structured Parzen Estimator over 500 trials, with a leakage-free 70/15/15 chronological train-validation-test split. The hybrid model achieves a test RMSE of 8,876 MWh, MAPE of 2.05%, and R-squared of 0.906. A tabular-only XGBoost baseline achieves RMSE of 9,304 MWh, MAPE of 2.21%, and R-squared of 0.896. A Diebold-Mariano test (Harvey-Leybourne-Newbold correction) confirms the 427.7 MWh difference is statistically indistinguishable from noise (DM = -1.126, p = 0.262). An ablation study reveals COVID-19 features improved training accuracy but had asymmetric test effects: removal degraded hybrid RMSE by 3.2% while marginally improving XGBoost-only by 1.2%. A SHAP temporal analysis shows 5 of 8 COVID features rank higher on the post-acute test set than during pandemic-active training, indicating the model over-applies learned pandemic patterns. These findings establish temporal validity decay as a central mechanism: behavioral disruptions drove a strong COVID-demand signal during 2020-2021, but adaptation was complete by mid-2022, leaving epidemiological features as noise amplifying overfitting to stale pandemic patterns.

Camera-trap monitoring in African tropical forests increasingly extends beyond closed-canopy interiors to riverbanks, clearings, and park edges. Among available open tools for African forest camera-trap classification, DeepForestVision is the only one providing a matched offline workflow for both photographs and videos, and previous work showed that it outperformed other available baselines on a comparable benchmark. However, it was designed for closed-canopy, ground-level forest interiors and uses a 35-class prediction space that becomes too coarse when deployments encounter arboreal primates, birds, semi-aquatic taxa, or human-associated confounders such as livestock. We present DeepForestVisionV2, an ecology-driven expansion from 35 to 64 prediction classes (61 animal classes plus human, vehicle, and blank) designed to address three recurrent deployment gradients: vertical stratification, scene openness, and anthropogenic interfaces. DeepForestVisionV2 retains the same offline workflow and is trained on 1,535,010 photographs and 243,354 videos from multi-country African tropical-forest projects. Evaluation combines a cross-country cropped-photo validation set, used to assess robustness across sites and camera-trap settings, with three held-out Uganda video benchmarks spanning the targeted gradients. On the validation set, DeepForestVisionV2 reaches 0.86 accuracy, 0.82 macro-F1, and 0.81 balanced accuracy. On the deployment benchmarks, it preserves or improves baseline accuracy despite its harder classification task, while increasing the number of identified taxa from 22 to 29 in forest-interior videos and from 4 to 9 at riverbanks. In the park-edge use case, it raises accuracy from 0.62 to 0.86 and reduces false alarms from 11 to 0. These results show that DeepForestVisionV2 materially improves field utility while preserving robustness across sites, habitats, and camera-trap settings.

Machine Unlearning (MU) has emerged as an important technique for removing specific data points from trained models without requiring full retraining. However, most existing MU research focuses on deep learning and image data, leaving a gap in the domain of network intrusion detection, which relies heavily on tabular data. This work introduces XGBoost-Forget, an unlearning approach for the XGBoost model, to address this gap. The approach is evaluated on two tabular Network Intrusion (NI) datasets, IoT-23 and GeNIS, using multiple metrics to assess model performance, unlearning efficiency, and forgetting quality. The results show that XGBoost-Forget maintains predictive performance close to the original model while providing significantly faster unlearning, demonstrating its potential for MU in tabular NI settings.

A recent line of work has reframed individual decision trees as linear models on engineered features associated with their splits, opening routes for oracle inequalities and feature-importance reinterpretation, but leaving open the question of what unified geometric object a forest induces when one indexes its feature map by nodes rather than by splits. The present paper studies that object. KPP indexes the feature map by the nodes of the forest, weighted by a path metric that turns each coordinate into a component of a squared-Euclidean path-isometric embedding. KPP unifies four pillars under a single node-indexed representation whose Gram is non-diagonal and carries a metric: prediction, exact additive attribution, deterministic Lipschitz robust radius in the KPP metric, and uniform Rademacher risk bounds for regression and classification under fixed, honest, or cross-fit conditioning. All probabilistic guarantees are conditional on the representation and are stated under three explicit conditioning regimes; the robust-radius guarantee is deterministic in the KPP metric rather than in a norm on the raw input. Conjectured fast-rate refinements for both regression and classification are stated as open problems and are not claimed as theorems.

The problem of localization on a large-scale satellite image given a frame of query ground view point clouds remains challenging. Existing LiDAR-to-image cross-view localization methods struggle in large-scale scenarios due to limited semantic alignment and the modality gap between point clouds and satellite images. This paper introduces the large-scale LiDAR-to-image geo-localization pipeline called GeoISF. GeoISF introduces an instance semantic forest constructed using WordNet, which enhances temporal semantic representation and discriminative power by integrating semantic trees from multiple frames. By leveraging environmental semantic representation as a shared medium, GeoISF effectively bridges the modality gap and improves semantic matching accuracy. Extensive experiments demonstrate the superior performance of GeoISF in large-scale cross-view localization, 13.22 times better than the parallel LiDAR-to-image method in the R@10 metric on the KITTI dataset. The proposed method addresses the existing gap in large-scale LiDAR-to-image cross-view localization, offering a robust solution to the computational and accuracy challenges inherent in such scenarios. We will release the code as an open-source resource available online for the broader research community.

In recent years, electronic (E) commerce services have rapidly increased in the daily lives of people, which helpsthem to purchase products online. However, retail platforms have struggled to understand customer behavior and make it difficult to predict their future purchases. To overcome these challenges, this study proposes a hybrid Retail Deep NeuralNetwork (Ret-DNN) with an Extreme Gradient Boosting(XGBoost) model for capturing temporal features and tabular dynamics of retail data. First, data were sourced from a UnitedKingdom (UK)-based online retailer that contains transactions with almost 500,000 records. Then, the collected data were pre-processed using a series of techniques, such as data cleaning, outlier handling, temporal feature extraction, feature encoding, and z-score normalization, to ensure that the data were ready for model training and testing. Subsequently, the preprocessed data were fed into the Ret-DNN model, which acts as a feature extractor to understand the complete context of customer transactions. Further, the extracted data were fed as input into the XGBoost model, which predicted the final output as the purchase probability of customers. Finally, the proposed Ret-DNN XGBoost model achieved better results by attaining aMean Absolute Error (MAE) 0.2193 when compared to the existing Ret-DNN model. Keywords: Customer behavior forecasting, extreme gradientboosting, electronic commerce, predictive analytic, retail deepneural networks.

While sequential residual fitting is the bedrock of standard boosting frameworks, it inherently breeds learner redundancy by repeatedly revisiting correlated error components. To address this bottleneck, we propose a shift from residual fitting to \textit{residual orthogonalization} and introduce SCBoost. Our framework tackles redundancy through two complementary mechanisms: Spectral Residual Projection (SRP) and Covariance-Regularized Weighting (CRW). During training, SRP projects each residual target onto the orthogonal complement of the historical prediction subspace, forcing successive learners to capture only novel empirical innovations. During aggregation, CRW optimizes ensemble weights on a validation set with an explicit covariance penalty to mitigate remaining correlations. Theoretically, we provide a finite-sample geometric characterization proving that SRP yields an exact additive residual-energy decomposition. Furthermore, under an isotropic-noise assumption, we rigorously establish the conditions under which this projection improves the effective Signal-to-Noise Ratio. Extensive experiments across ten benchmark datasets demonstrate that SCBoost delivers strong out-of-the-box performance, particularly in accuracy and F1 score. This work reinterprets boosting through a geometric lens, suggesting that explicit redundancy control is a principled and necessary step toward more efficient ensemble architectures.

In this work, we develop two main Machine Learning based approaches to predict the runtime parameters of highly scalable parallel chemistry computations.These approaches employ active and generative learning together with the empirically determined gradient boosted regression tree models chosen among a rich suite of machine learning models. When evaluated on Coupled-Cluster with Singles and Doubles computations, our models achieve a mean absolute error percentage (MAPE) as low as 0.023 and a coefficient of determination as high as 99.9%. Furthermore, when combined with active learning to mitigate the lack of large amounts of training data, our models score a MAPE about 0.2 with 20-25% of the original dataset.

This study investigates the application of machine learning models to predict exam outcomes using physiological data collected during examination sessions. Physiological stress indicators, including electrodermal activity, heart rate, and skin temperature, were analyzed to uncover their association with academic performance. A variety of machine learning approaches were employed, ranging from standard models like logistic regression, random forest, and support vector machines to more advanced architectures, including transformers, long short-term memory (LSTM), and gated recurrent unit (GRU) models. This diversity aimed to capture the complex interactions within the data effectively. A key focus was assessing the adaptability of transformers in processing numerical data and evaluating their performance in this novel context. Standard performance metrics, such as accuracy, precision, recall, and F1-score, were used to compare model efficacy. The experimental results demonstrate that while deep learning models generally excel at capturing complex relationships in physiological data, simpler models like random forests can sometimes achieve superior performance while offering computational efficiency and interpretability. Furthermore, transformers demonstrated notable versatility, showcasing performances comparable to those of the LSTM and GRU models. This research underscores the importance of experimenting with a broad class of models that align with the objectives of the problem at hand, balancing precision, efficiency, and interpretability. By elucidating the relationships between physiological signals and academic performance, this study contributes to understanding stressors affecting students' mental health. It further promotes leveraging physiological data to enhance student well-being and academic outcomes.

We develop a statistical learning theory for gradient boosting applied to the estimation of covariate-dependent Generalized Pareto (GP) distributions in the context of Peaks-over-Threshold modeling. After an orthogonal reparametrization of the GP likelihood that diagonalizes its Fisher information matrix, we cast the estimation problem within the Empirical Risk Minimization (ERM) framework and derive non-asymptotic error bounds for the boosting estimator. Our analysis accounts for three distinct sources of error in the process: statistical fluctuations, the approximation bias inherent to the asymptotic nature of the GP model-controlled under second-order regular variation-and the approximation error associated with the finite number of boosting iterates, making explicit the resulting bias-variance trade-off. We illustrate the practical benefits of the reparametrization through simulations, showing that it significantly reduces gradient correlation during training and improves convergence stability. The methodology is applied to a medical malpractice insurance dataset from the Texas Department of Insurance, comprising over 18 000 closed claims. The gradient boosting approach yields a good fit for the tail of settlement cost distributions and reveals that the number of days to settlement is the dominant predictor of tail heaviness, consistent with earlier findings in the reserving literature.

Learning systems based on IF-THEN rule representations readily offer interpretability, making them a crucial focus in contemporary AI research. A key objective for such rule sets is to achieve both high discriminative power and interpretability. While existing state-of-the-art algorithms implicitly prioritize predictive accuracy, they often fall short on one or more quality metrics that ensure interpretability, such as coverage and parsimony of rule sets. Motivated by this, this paper propose the development of CDPR, which aims to create highly accurate and interpretable rule sets for classification problems. To the best of our knowledge, this represents the first attempt to establish such an approach. In this study, we introduce two algorithms rooted in submodular maximization, which not only provide provable guarantees on coverage but also yield rule sets that are both discriminative and parsimonious. We empirically demonstrate that rule sets learned through our approaches achieve higher accuracy and interpretability and has more than a 2.5-fold improvement in average coverage rates when compared to the next best algorithm.

Classification and Regression Trees (CART) constitute one of the most influential paradigms in statistical learning. Although a variety of impurity measures have been proposed for different statistical models, these criteria are typically introduced on a case-by-case basis and analyzed separately. In this paper, we study CART through the lens of Bregman divergences. This perspective places the classical least-squares criterion, Poisson deviance, Kullback-Leibler-type losses, and other impurity measures associated with exponential-family models within a common framework. As a result, key ingredients of the CART methodology -- including node representatives, impurity measures, and split selection rules -- can be expressed and analyzed through general properties of convex functions rather than through separate model-specific constructions. Beyond the algorithmic formulation, we investigate theoretical properties of Bregman-based CART procedures. In particular, we analyze how geometric properties of the generating convex function influence impurity reductions and stability of recursive partitions. We also establish consistency results within the proposed framework, providing a unified theoretical treatment for a broad family of CART type procedures. Our results provide a geometric interpretation of impurity-based tree construction and show that many classical CART impurity criteria admit a common interpretation within a Bregman framework.

Sierra Leone's agriculture operates with almost no data-driven decision support, and no published machine learning study has examined the country's crop yields. We ask whether rice yield can be forecast from data Sierra Leone currently has. Using 25 years of FAOSTAT production data (2000-2024) for nine major crops, we train XGBoost, Gradient Boosting, and Random Forest under a strict anti-leakage protocol with expanding-window walk-forward evaluation across seven held-out years, benchmarked against naive persistence. No model trained on crop statistics alone outperforms persistence. Augmenting with free satellite climate data (CHIRPS rainfall, NASA POWER temperature) reverses this result: a climate-only XGBoost reduces forecast error by one third (RMSE 284 vs 428 kg/ha), a gain that holds for a linear model and is robust to excluding the anomalous 2018 season. Early-season (May-June) rainfall is the dominant predictor, implying seasonal yield risk is observable months before harvest. No model anticipated the 2018 collapse, whose origins were institutional rather than climatic. We translate the findings into policy recommendations for Sierra Leone's Feed Salone Strategy, with a fully open-source pipeline.

We present Simplex-Constrained Sparse Bagging (SCSB), a mathematically rigorous framework for post-training compression and probability calibration of bootstrap-based bagging ensembles. Standard bagging ensembles (such as Random Forests, Bagged SVMs, and Bagged Neural Networks) assign uniform voting power to all constituent estimators. However, this naive uniform prior ignores the varying local competence of base estimators and contributes to model overconfidence. We formulate ensemble pruning and calibration as a joint optimization problem over the probability simplex by minimizing the Out-Of-Bag (OOB) loss. To induce sparsity, we address the theoretical "L1-simplex paradox" - the mathematical reality that the L1 norm is constant on the simplex and fails to prune - by introducing a concave quadratic penalty. SCSB is model-agnostic and achieves up to 96% ensemble compression, yielding linear inference speedups and superior probability calibration (lowered Expected Calibration Error) while preserving or enhancing generalization accuracy.

Anomaly detection in multivariate time series is challenged by four structurally distinct anomaly types -- point (isolated spikes), distributional (level shifts), temporal (rhythm changes), and collective (inter-sensor correlation breakdowns) -- each requiring different feature representations. Most unsupervised methods target only one or two types and provide limited interpretability. We present CRAFTIIF (Cross-Resolution Analytic Four-Type Interpretable Isolation Forest), a fully unsupervised framework targeting all four types without dataset-specific tuning. CRAFTIIF generates K=500 random analytic wavelet feature draws across four families (Morlet, DOG, Haar, Coiflet), each targeting a specific anomaly type, feeding five structured Isolation Forests -- one per type plus a meta-IF for compound anomalies. An adaptive Otsu/MAD threshold calibrates detection automatically across anomaly rates from 0.1% to 69.2%. Because each IF is trained exclusively on type-specific features, branch firing provides direct anomaly-type attribution by construction, without post-hoc explanation. Evaluated on all 19 datasets of the mTSBench benchmark (Zhou et al., TMLR 2026), CRAFTIIF achieves mean F1=0.228 (all 19 datasets) and F1=0.322 (13 detectable datasets), ranking first among all 25 evaluated methods on VUS-PR (0.463 vs. previous best 0.329, +40.7%). A diagnostic framework -- oracle F1, detectability limits, and branch separation ratios -- identifies 6 of 19 datasets as fundamentally undetectable by any unsupervised method. Ablation over 11 conditions confirms adaptive thresholding (+38% F1), four-branch structure (+20%), and meta-IF (+23%) are each essential. Code: https://github.com/smitswil/craftiif

This paper presents the design, development, and implementation of a specialized forecast-then-optimize algorithmic pricing tool for sales campaigns in fashion e-commerce. Sales events present unique challenges for pricing including volatile demand patterns, rapid pricing decisions, and the need to balance short-term revenue with long-term profitability. We describe our approach combining daily-resolution demand forecasting using gradient-boosted trees with a multi-objective optimization framework that maximizes both long-term profit and net merchandise value for more than 5 million articles. Our solution addresses key limitations of existing weekly-granularity systems by implementing a forecast-then-optimize architecture that reduces pricing decision time from hours to minutes. We validate our approach through 23 A/B tests across 12 markets during 2023-2024 sales campaigns at Zalando, one of Europe's leading online fashion retailers. Experimental results demonstrate that the new pricing system achieves approximately 6% higher profit while maintaining equivalent performance on sales and revenue compared to the previous manual-algorithmic hybrid approach. Based on these results, the algorithm was successfully deployed to production and now handles the majority of algorithmic pricing decisions for sales campaigns at the company.

In the era of Explainable Artificial Intelligence, there is a renewed focus on single trees for their ease of interpretation. This paper introduces Simultaneous Latent Budget Trees, a probabilistic machine learning framework for classification trees in the presence of a stratification factor such as a temporal, spatial, or demographic variable, acting as a control variable or potential confounder. Standard tree growth procedures are not designed to optimize a conditional split rule. A model-based split rule is proposed in which child nodes are interpreted as latent components of a simultaneous mixture model, such as the Simultaneous Latent Budget Model and its constrained versions, fitted to the parent node. Mixing parameters drive the observations, differently for each group, to the child nodes whereas latent budgets parameters update the response classes profile of each level of the control variable. Parameters are estimated by least squares considering a neural network perspective of the model. An informative tree structure can be interactively visualized with interpretation aids on the node and the paths, including visual pruning and decision tree selection procedure. Suitable measures are proposed to handle an unbalanced response class distribution. The proposed methodology is applied to investigate gender-related differences in disease progression of Amyotrophic Lateral Sclerosis. The SLBT library with the various tree-based algorithms is available in the linked GitHub repository.

We present an interpretable machine learning pipeline to decompose Cross-Sectional Equity Return Predictability into auditable factor contribution. We apply an XGBoost model with TreeSHAP attribution and conduct stress testing on 3632 Chinese A-share stocks from 2009 until 2019. Using 60-month, rolling windows over 55 months of out-of-sample data, XGBoost obtains a mean AUC of 0.547 and +2.38%/month (Newey-West t = 5.94; Annualized Sharpe 2.23) long-short spread for the top vs bottom quintiles. This alpha is persistent after adjusting for the Carhart four-factor model (+2.31%/month; t = 7.48). SHAP Decomposition indicates that behavioral signals (turnover and momentum) account for 58.2% of predictive attribution compared to 10.7% for valuation ratios, on average, across 55 industry groups. Ablation analysis serves to cross-validate this ranking and provides evidence that SHAP and ablation diverge in a manner that highlights feature substitutability structure that is largely invisible to either method used in isolation.

Regression trees are among the most interpretable yet expressive model classes in machine learning. Historically, greedy induction has been the dominant approach for constructing well-performing regression trees. While optimal methods based on dynamic programming and branch-and-bound exist, they are computationally prohibitive for general linear regression trees, despite often achieving substantially better performance than greedy approaches. Recent work has shown that specialized lookahead strategies can dramatically improve runtime while maintaining near-optimal performance, primarily in classification settings. In this work, we develop a novel algorithm for near-optimal, sparse, piecewise linear regression trees that combines a lookahead-style search strategy with efficient rank-one Cholesky updates of the Gram matrix. We demonstrate, both theoretically and empirically, that our method achieves a favorable trade-off between computational efficiency, predictive accuracy, and sparsity, and scales significantly better than the current state of the art.

Airport surface operations increasingly constrain performance at high-throughput hubs. This study examines arrival taxi-in decisions at Hartsfield-Jackson Atlanta International Airport (KATL) and proposes a two-stage, data-driven decision aid that mirrors controller workflow. Stage I predicts the runway exit selected by an arriving aircraft. Stage II predicts whether, given that exit, the aircraft will cross the active departure runway at a designated point or use the end-around taxiway. Models are trained using ASDE-X surface trajectories, aircraft characteristics, ramp destinations, short-horizon traffic rates, and weather across multiple look-back windows. We benchmark nine classifiers, including Random Forest, XGBoost, LightGBM, and CatBoost, and evaluate accuracy, macro-F1, precision-recall behavior, confusion matrices, Brier score, and Expected Calibration Error. Across east and west flows, XGBoost and LightGBM outperform Random Forest. Stage I achieves 0.86-0.89 accuracy with macro-F1 scores of 0.40-0.50, while Stage II achieves 0.70-0.74 accuracy with macro-F1 scores of 0.28-0.55. Feature-importance analysis shows that approach speed is the main driver of exit choice. Departure rate, crossing rate, ramp destination, and, for west flow, the selected exit are the strongest predictors of crossing versus end-around routing. Minority classes remain harder to predict because of feature-space overlap, as shown by t-SNE and UMAP analyses. The proposed framework supports controller situational awareness through calibrated, explainable predictions while preserving human responsibility for final routing decisions.

Variable importance produced by Random Forests (RF) is used widely in statistical data analysis, and has played an important role in a variety of tasks such as assisting model interpretation, model selection and diagnosis, and cost-bounded learning etc. However, the calculation of variable importance in RF does not take into account of the correlations among variables, and variables that are correlated to many other variables tend to receive a lower importance index or being completely masked (i.e., with an importance index near zero) by other strongly correlated variables. To prevent influence from unwanted correlated variables in calculating variable importance, we propose to group variables by their conditional correlations (conditional on the response variable). We explore two computationally efficient options, with one grouping variables individually, and then separates the variable of interest from all correlated variables, while the other uses clustering to group variables according to their pair-wise conditional correlations. Our experiments show that both lead to sensible corrections to the importance of variables.

Adversarial attacks pose a serious and growing threat to Machine Learning (ML)-based Intrusion Detection Systems (IDS), where imperceptible perturbations to network flow features can systematically mislead classifiers into accepting malicious traffic as benign. The IDS-Anta framework partially addresses this through Z-score normalization, Singular Value Decomposition (SVD), and Multi-Armed Bandit (MAB) classifier selection with Thompson Sampling, yet its classifier pool lacks sufficient structural diversity for robust adversarial resistance. This work introduces IDS-Anta++, which incorporates XGBoost and LightGBM gradient boosting models into the ensemble and wraps the extended pool in a three-layer black-box defense: Isolation Forest anomaly screening, median feature smoothing, and six-way majority voting. Experiments conducted on CIC-IDS-2017, CEC-CIC-IDS-2018, and CIC-DDoS-2019 under both Fast Gradient Sign Method (FGSM) and Zeroth Order Optimization (ZOO) attacks confirm detection accuracy above 99% on clean data, with measurable robustness gains under adversarial conditions relative to the baseline IDS-Anta configuration.