Decision trees are among the most widely used models in machine learning, largely due to their transparent decision logic, making them well-suited for high-stakes decision-making contexts. However, most existing learning algorithms focus on predictive performance, overlooking the joint optimization of other desirable properties, such as structural sparsity. In this work we propose TREVIS, an approach for learning decision trees with respect to complex objectives, based on the exploration of the latent space of a Tree Transformer Variational Auto-Encoder (TTVAE). By mapping decision trees onto latent representations, TREVIS replaces the discrete search space with a continuous one, enabling gradient-based optimization via a differentiable surrogate model. We experiment with TREVIS for learning decision trees that jointly optimize predictive performance and sparsity. Results show that TREVIS discovers decision trees matching the predictive performance of existing near-optimal algorithms while improving their structural sparsity.
Hanul Park, Jeonghoon Choi, Juseong Kim +2cs.LG cs.AI
Decision trees are attractive for tabular prediction tasks because each prediction follows an interpretable sequence of feature-threshold tests. Under a strict maximum-depth budget, however, conventional binary trees can be under-expressive, since each internal node makes only a single threshold decision. We study shallow-depth tree induction, where the goal is to improve accuracy while keeping root-to-leaf paths short. We propose the Multi-Branch Neural Decision Tree with Adaptive Pruning (MBNDT), a single axis-aligned tree trained end-to-end with differentiable multi-way splits. Each internal node learns ordered thresholds over a selected feature and a branch mask that adapts its effective arity, and the trained model is converted to a deterministic single-path tree for inference. Across 21 OpenML binary-classification benchmarks, MBNDT achieves the best average rank and mean balanced accuracy among depth-constrained single-tree baselines; a controlled ablation isolates multi-way splitting as the source of the gain. These gains come with an explicit trade-off: MBNDT realizes more leaves than the other single-tree baselines, making it best suited when accuracy under short, bounded decision paths is prioritized over minimal global tree size.
Decision tree-based models are widely used in machine learning due to their interpretability and strong empirical performance. However, training decision trees can be computationally expensive, particularly for large and high-dimensional datasets, largely due to the exhaustive search over candidate splits at each node. To improve computational efficiency, we propose Data-Informed Centroid Splitting (DICS), a clustering-based framework that constructs a compact and informative set of candidate splits using data-driven priors. By incorporating class-aware structure, DICS significantly reduces the split search space for classification tasks while preserving predictive performance. We further provide theoretical analysis showing that under the stated assumptions, DICS does not degrade the performance of classification trees compared to exhaustive split search. DICS can be incorporated into classification trees, random forests, and gradient-boosting models. Extensive experiments demonstrate that DICS achieves comparable accuracy while substantially reducing training time across synthetic and benchmark datasets, highlighting the benefit of integrating data-informed priors into split selection for scalable classification tree learning.
Daniel Nowak Assis, Jean Paul Barddal, Fabrício Enembreckcs.LG cs.AI
Ensembles of decision trees are well-established methods for data stream classification. In ensemble learning, Hoeffding Trees are widely adopted as base learners, performing periodic split attempts according to the Hoeffding bound. Recent studies, however, indicate that this standard splitting mechanism lacks adaptability, while adaptive trees that trigger splits in response to performance degradation have achieved superior results. In this paper, we identify limitations in the use of adaptive-splitting decision trees as ensemble base learners, showing that change detectors often fail to promote sufficient diversity within ensembles. To address this issue, we propose two novel decision tree models, termed Hoeffding Adaptive Splitting Trees. These models combine the periodic splitting strategy of Hoeffding Trees, which fosters ensemble diversity, with adaptive splitting mechanisms that employ change detection algorithms to identify performance decay and determine split points. Experimental results demonstrate that Hoeffding Adaptive Splitting Trees enhance ensemble performance and achieve state-of-the-art results across a comprehensive evaluation, including benchmark comparisons, computational cost analysis, and concept drift adaptation.
In the operation of machine learning models, model update is a fundamental process that requires careful consideration of its impact on downstream decision-making. Particularly when operating explainable models, changes in explanations resulting from model updates can lead to detrimental outcomes for users. Decision trees, due to their high transparency, are frequently employed in risk-sensitive decision-making and serve as a prominent example in which the aforementioned issue is evident. However, existing research addressing similar issues has focused on explanations based on feature contributions, and thus cannot handle explanations derived from tree structures. Therefore, this paper proposes the Backward Compatibility Loss in Tree-based eXplanations (BCLTX), a loss metric that suppresses changes in decision tree explanations before and after updates. Furthermore, we design CART with Backward Compatibility in Tree-based eXplanations (CART-BCTX), a lightweight algorithm that improves upon CART for the decision tree update problem under BCLTX. Experimental results using 10 real-world datasets, including both classification and regression tasks, show that CART-BCTX achieves favorable trade-offs between prediction performances and BCLTX values, with comparable computation times to CART, regardless of the task.
Jacobus G. M. van der Linden, Mim van den Bos, Emir Demirovićcs.LG cs.AI
Optimal decision trees (ODTs) are compact, interpretable machine learning models that globally optimize a given objective, but their scalability remains challenging. While recent work has proposed a variety of search strategies to improve scalability, the precise contribution of each strategy remains unclear. To address this gap, we introduce a general algorithmic framework for ODTs that instantiates previously used search strategies and enables the definition of new ones. This provides a common lens through which to understand and compare different strategies, which we use to empirically investigate the effect of 18 search strategies. Compared to the state of the art, the best strategy in our evaluation achieves significantly better anytime performance for classification, and improves runtime by more than an order of magnitude for regression.
Rafael Ayllón-Gavilán, Francisco José Martínez-Estudillo, David Guijo-Rubio +2cs.LG
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.
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.
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 non-diagonal Gram that 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.
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.
Decision trees partition the feature space using hard binary thresholds, assigning identical confidence to instances far from a decision boundary and to those directly on it. We introduce ternary decision trees, which augment each split node with an uncertainty zone of half-width delta centered on the optimal threshold. Instances in this zone receive predictions formed by weighted blending of both child subtrees and are flagged as boundary-uncertain, signaling that downstream applications may treat these predictions differently. Crucially, delta is computed locally at each node from statistics already available during standard CART split finding, requiring no external noise specification. We propose and evaluate five delta-estimation methods: quality-plateau (plateau width of the split criterion curve), class-overlap (empirical class-distribution overlap), gain-ratio (split quality relative to split entropy), node-bootstrap (threshold variance under node-level resampling), and margin (SVM-inspired distance to the nearest cross-class training example). Evaluated across 72 OpenML-CC18 datasets with 5-fold cross-validation, all five methods with probabilistic routing significantly outperform standard CART on decided accuracy (Wilcoxon signed-rank, p < 0.001). The margin method achieves the best efficiency (0.104 accuracy gain per unit of boundary-uncertain flagging rate), wins on 42 of 72 datasets, and requires zero additional hyperparameters. Analysis on three Breiman synthetic benchmarks reveals that margin is self-calibrating on clean data while node-bootstrap and quality-plateau best track theoretical irreducible error. Experiments on four medical and financial datasets demonstrate practical value: on mammography, node-bootstrap achieves +0.71% decided accuracy by flagging 10.8% of screening cases as boundary-uncertain.