Decision Trees

Many real-world decisions require prioritizing high-risk cases, such as clinicians prioritizing high-risk patients before lower-risk ones. Falling rule lists (FRLs), which are ordered if--then rules with monotonically decreasing risks, provide an interpretable framework for such tasks; however, their single-path structure yields a highly restricted model class. We introduce falling trees, a new family of interpretable models that enforces the same monotonic risk constraint while permitting tree-structured branching. We present GRAVITree, a novel dynamic-programming-with-bounds algorithm for learning the Rashomon set of falling trees under depth and branching constraints. Our formulation can interpolate between rule lists and full decision trees, enabling user-desired model expressivity. In a new clinical dataset and in many public classification benchmarks, falling trees match or outperform FRLs and other interpretable baselines, often producing more sparse decisions for high-risk instances. Our results show that falling trees strike a practical balance between interpretability, expressiveness, and risk prioritization for high-stakes settings.

In evidence-based policymaking, typically one experimental sample is observed, then a learned policy recommendation is implemented at scale. Policies learned from the experimental data can perform well in expected welfare, yet random sampling in the experiment can produce recommendations with poor welfare outcomes. In this paper, we ask: how should policy learning algorithms balance expected welfare against sampling risk? Our main contribution is to show that algorithmic stability plays a central role in characterizing and navigating the tradeoff. Intuitively, if a policy learning algorithm's recommendation remains stable when one experimental unit is replaced, then that algorithm has limited sampling risk. We propose a method for policy learning called policy-vote bagging, which learns treatment decisions on many subsamples then averages their votes into treatment probabilities. Relative to using one subsample, averaging across subsamples preserves expected welfare and improves expected utility for a risk-averse researcher. We derive sharp bounds linking estimation accuracy, subsample size, and welfare variation, including an exact guarantee under CARA utility.

Classification and regression trees are typically constructed using a greedy splitting rule that maximizes the immediate reduction in prediction error at each node. Although this strategy is computationally efficient, it can miss splits that yield small short-term gains but create substantial downstream improvements after further partitioning. We propose a look-ahead tree-building method that evaluates each candidate split by the prediction error reduction achieved after growing a conventional CART subtree below that split. Because the full look-ahead procedure can be computationally expensive, we also describe a smart look-ahead algorithm that learns downstream split values using node-level features. The proposed framework preserves the interpretability of recursive partitioning while improving split selection in hierarchical or interaction-driven settings. We conduct a simulation study comparing conventional, full look-ahead, and smart look-ahead methods under several settings and apply the proposed methods to analyze two real data examples demonstrating the merit of the new methods.

Decision trees are prized for their interpretability and strong performance on tabular data, but popular greedy top-down induction algorithms can yield suboptimal and unnecessarily complex structures. Optimal decision tree methods address this through global optimization, yet remain restricted to axis-aligned threshold splits, which limit the expressivity of each node and often force deep, complex trees to capture non-linear feature effects. Shape Generalized Trees (SGTs) generalize threshold splits to learnable univariate shape functions, improving expressivity and enabling more compact trees. However, existing SGT induction algorithms are greedy and offer no optimality guarantees. In this work, we introduce Literati, the first algorithm for optimal SGT induction. We propose a novel AND/OR graph formulation of the problem that jointly optimizes tree structure and shape function complexity. To solve this AND/OR graph, we develop an AO*-based algorithm with two enhancements that improve anytime performance while preserving optimality: a secondary heuristic for OR-node selection and a round-robin policy for AND-node exploration. Across 24 real-world datasets, Literati achieves higher training and test accuracy than state-of-the-art tree approaches.

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.

Classification of edible oils in processed foods is important for food quality, fraud prevention, and regulatory compliance. This study develops a Mutually Exclusive, Collectively Exhaustive framework integrating spectral organization, interpretable classification, Physics-Informed Artificial Intelligence (PI-AI), and Frugal AI-based feature reduction. Five edible oils were analyzed in pure form and within a fried-potato-chip matrix using t-SNE, K-means clustering, Decision Trees, and Non-Negative Least Squares (NNLS)-based spectral decomposition. Unsupervised analyses showed stronger class organization and separability in pure oils, while food-matrix effects caused substantial spectral overlap. Decision Trees achieved 100% classification accuracy for pure oils using only four Raman variables from 1866 spectral features. These variables represented only 0.21% of the available spectral information while retaining perfect test-set performance. Two variables associated with lipid unsaturation (about 1650 cm-1) and hydrocarbon-chain organization (about 1127 cm-1) remained important after NNLS matrix correction. Their combined contribution increased from 50% in pure oils to about 62% and 89% in paper-subtracted and paper-plus-potato-subtracted datasets, respectively. NNLS-based PI-AI improved food-matrix classification by separating oil signatures from paper and potato contributions. Optimized post-pruned models achieved nearly 80% test accuracy using only five and four Raman variables, respectively. The four-feature representation reduced the data footprint by 99.44% without loss of accuracy. These findings demonstrate that Raman-based oil identification can use compact, physically meaningful, and interpretable spectral representations, supporting Frugal AI, Edge AI, portable sensing, and embedded food-quality monitoring.

We revisit the problem of learning predictors robust to adversarial examples at test-time. We prove that VC classes are adversarially robustly learnable with sample complexity linear in the VC dimension $d$, providing an exponential improvement over the previous upper bound of Montasser, Hanneke, and Srebro (2019). Remarkably, this result is achieved with a simple improper algorithm that combines the classic heuristic bagging (bootstrap aggregation) of Breiman (1996) with robust empirical risk minimization (RERM). Our algorithm computes RERMs on $O(d^\star)$ independent bootstrap samples and outputs their majority vote, where $d^\star$ denotes the dual VC dimension. We complement this result with a lower bound showing that this is unavoidable: in general, any learner in this oracle model requires $Ω(d^\star)$ calls to an RERM oracle, even when given arbitrarily many training examples.

In regulated domains such as finance, a model that cannot be explained cannot be deployed, yet many interpretable classifiers defeat their own purpose by producing formulas with dozens of features that no regulator could read. We take the reverse direction. Starting from an interpretable classifier expressed as a single equation over the input features, we progressively simplify it into more readable forms, including a pruned monomial, a directional if--then rule, and the integer scorecards and tallies that finance already deploys. Because the equation is itself the predictive model rather than a post-hoc explanation we can directly quantify what is lost under each simplification. Across four financial datasets, we find that pruning is nearly free and that fidelity can erode faster than predictive performance, allowing simpler rules to remain effective classifiers without faithfully reproducing the original model. A human assessment shows that simplification improves perceived readability, while preferences for different representations vary by professional background. Beyond measuring these losses empirically, we show that some can be anticipated from the original model: we derive a bound on the change caused by pruning and predict how faithfully a rule retaining only the direction of each feature's effect preserves the original ranking.

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.

Precision nitrogen (N) management (PNM) for cotton requires in-season monitoring of crop growth parameters and N status indicators to decide fertilizer timing, placement, and application rates for optimal canopy development and yield. This study developed remote sensing and machine learning-based methods to estimate cotton dry biomass weight (DBW), plant N uptake (PNU), plant N concentration (PNC), critical N dilution (Nc), and nitrogen nutrition index (NNI) to support PNM. To achieve this, a three-year field-based N-management study was conducted and unmanned aerial vehicle (UAV)-based multispectral images were acquired between early vegetative growth and flowering stages, critical for fertilizer applications. Spatiotemporally consistent spectral and morphological plant features, including plant height (PH) and fractional canopy cover (FCC), provided reliable model training inputs. DBW, PNU, and PNC estimates from simple regression using vegetation indices (VIs), multiple linear regression (MLR) combining VIs, PH, and FCC, and decision-tree models, random forest regression (RFR) and extreme gradient boosting (XGB), combining spectral reflectance, PH, and FCC were evaluated using trial-held-out (THO) and leave-one-year-out (LOYO) validation methods. The best validation accuracies were from RFRTHO (R2 = 0.88 and MAPE = 23.14% for DBW; R2 = 0.84 and MAPE = 20.61% for PNU; R2 = 0.85 and MAPE = 7.82% for PNC) and XGBTHO (R2 = 0.87 and MAPE = 21.91% for DBW; R2 = 0.81 and MAPE = 21.40% for PNU; R2 = 0.86 and MAPE = 7.66% for PNC). Nc was calculated from model estimated DBW and PNC for high-yielding, medium-to-tall cotton varieties grown in the Texas Coastal Plains and validated using ground-truth biomass measurements. NNI derived from XGBTHO outputs performed marginally better than NNI from RFRTHO in identifying N-deficient plots and multi-level N-stress categorization.

Probabilistic Regression Trees (PRTrees) are a smooth and consistent alternative to classical regression trees, producing continuous predictions through probabilistic split assignments. This paper extends the PRTree framework to accommodate missing predictor values directly during tree construction, eliminating the need for prior imputation. Three strategies are proposed, each exploiting the available information differently: a uniform-probability approach, a partial-observation approach, and a dimension-reduced smoothing approach. These modifications are defined to preserve the fundamental probabilistic properties of the original methodology, including probability conservation and marginal compatibility, under arbitrary patterns of missing covariate values. The proposed methods are evaluated on several real-world datasets exhibiting different levels of missingness and are compared with classical regression trees. The results show that the effectiveness of probabilistic tree construction depends strongly on the treatment of missing observations. Across the considered datasets, the fill strategy emerged as the dominant modeling component, often exerting a larger influence on predictive performance than either the smoothing distribution or the proxy-selection criterion. In datasets where a substantial proportion of observations contained missing predictor values, the proposed methods frequently outperformed CART, while maintaining the interpretability and flexibility of tree-based models.

The Rashomon effect describes the phenomenon that many models can achieve nearly equivalent performance on the same learning task, with significant ramifications for robustness, feature importance, and customizability. These use cases motivate the computation of Rashomon sets: the set of all models whose regularized loss is near-optimal. Decision trees are one of the few model classes for which Rashomon sets can be fully enumerated, but this computation has always been conditional on a binarization of the original data, either restricting which splits each tree is allowed to make or substantially increasing the complexity of an already difficult combinatorial problem. We introduce the first algorithm that exactly enumerates decision-tree Rashomon sets while exploiting the ordered structure of continuous features. We further develop a relaxation for approximate enumeration and an anytime algorithm that progressively refines the set of candidate thresholds, producing increasingly detailed approximations that converge to the continuous-feature Rashomon set. Experiments show that coarse binarization can miss many trees, important features, and predictive multiplicity; our algorithms achieve orders-of-magnitude speedups over existing enumeration methods, with approximations providing further speedups while maintaining near-perfect recall.

Double descent is commonly studied by scaling an explicit capacity parameter, such as neural-network width. For gradient boosting decision trees (GBDTs), however, an analogous single-axis capacity parameter has not been established. We propose the number of split candidates as an operational capacity parameter for GBDTs. Holding other training controls fixed, increasing the split-candidate budget refines the feature-quantization grid and expands the dictionary of root-to-leaf paths from which boosting selects its updates. To analyze this expansion, we construct an empirical tree-kernel diagnostic that summarizes how candidate-induced paths group the training examples. A regime in which the empirical kernel rank grows toward the sample size and very small positive eigenvalues emerge exposes noise-sensitive directions; in this regime, test error peaks before decreasing again at larger split-candidate budgets. This perspective predicts that deeper trees should reach the regime with fewer split candidates, larger training sets should require finer grids, and label noise should make the peak more pronounced. Experiments support these predictions and show test-error peaks at intermediate split-candidate budgets across XGBoost, LightGBM, and CatBoost, whereas a random-forest control improves monotonically under the same split-candidate sweep. Taken together, our analysis and experiments support split-candidate scaling as a single-axis capacity intervention for studying GBDTs and suggest that the observed double descent arises from an interaction between candidate-induced geometry and boosting dynamics.

{AdaBoost.MH} reduces multi-class classification to a collection of binary subproblems and enjoys the classical boosting-type convergence guarantee under a weak learning condition. A more structured variant, Factorized {AdaBoost.MH}, uses base classifiers of the form $\mathbf{h}(x)=α\mathbf{v} \bm{\varphi}(x)$, where a single binary classifier $\bm{\varphi}$ is shared across all classes and the label dependence is carried by a vote vector $\mathbf{v} \in\{\pm1\}^K$. This factorization is algorithmically attractive and achieves better performance in practice, but its convergence depends on whether one can always choose a vote vector with sufficiently large induced binary weight mass. Previous work resolved this question with a lower bound $\max\{1/n,1/\sqrt{2K}\}$, which still leaves a dimension-dependent slowdown relative to the original {AdaBoost.MH} analysis. In this paper, we sharpen this combinatorial step. For the minimax quantity $\mathfrak{W}_{n,K}$ governing the factorized edge, we prove $\mathfrak{W}_{n,K} = C_{\min\{n+1,K\}}$, where $C_q=1$ for $q=1$, $C_q=q/(3q-4)$ for even $q\ge2$, and $C_q=(q+1)/(3q-1)$ for odd $q\ge2$. Since $C_q\downarrow 1/3$, our bounds show that $\mathfrak{W}_{n,K}=Θ(1)$ uniformly over $n$ and $K$. Consequently, Factorized {AdaBoost.MH} achieves the same boosting-type convergence rate as {AdaBoost.MH} up to a universal constant factor, removing the previously suggested additional dependence on $n$ or $K$ in the number of boosting rounds.

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.

As decision-making processes grow more complex, machine learning tools have become essential for tackling business and societal challenges. However, many existing methods rely on decision-making procedures that are difficult to interpret. Since humans naturally make decisions by comparing new cases with a few representative examples, we aim to design an approach that selects such pivots to construct an interpretable predictive model. Inspired by decision trees, we propose a hierarchical, interpretable-by-design pivot selection model based on the similarity between pivots and input instances. Our method functions both as a pivot selection technique and a standalone predictive model. Extending beyond single pivots, we incorporate pairs of pivots that are used by proximity and oblique trees, as well as ensembles, which enhance the versatility and effectiveness of our proposal. Additionally, our approach is data modality-agnostic, leveraging pre-trained networks for data transformation. Experiments across diverse datasets, including tabular data, text, images, and time series, demonstrate the effectiveness of our approach, outperforming alternative instance selection strategies and achieving competitive results against state-of-the-art interpretable models while maintaining a minimal number of pivots.

We study feature bagging through the lens of algorithmic stability. Feature bagging is an ensemble strategy that aggregates base learners trained on randomly subsampled feature subsets, possibly in a data-dependent manner. We introduce feature instability (FI), the feature-axis analogue of instance instability (II), which measures sensitivity to removing a single feature. Smaller values of II or FI correspond to stronger stability, and our experiments show that FI captures generalization-relevant information complementary to II. Within this framework, we analyze feature bagging in both a parametric linear model and a model-free setting inspired by recursive feature subsampling in random forests. In both settings, we establish formal guarantees showing that feature bagging improves the relevant stability relative to its non-bagged counterpart, with larger improvements under more aggressive subsampling. We further show that a modest number of bagging rounds is sufficient to approach the infinite-bagging stability level.

In this paper we show that the generalization error of AdaBoost is $Θ\big(\tfrac{d\ln(nγ^{2}/d)}{nγ^2}+\tfrac{\ln(1/δ)}{n}\big)$, where $γ$ is the advantage guaranteed by the weak learner, $d$ is the VC-dimension of the class containing the weak hypotheses, $n$ is the sample size, and $δ$ is the confidence parameter. The contribution of this paper is the upper bound; the matching lower bound follows from prior work. The upper bound proof follows by combining the known fact that AdaBoost outputs a voting classifier whose voting function has zero empirical $γ/2$-margin loss with what is, to the best of our knowledge, a new margin-based generalization bound for voting classifiers.

Over the past decade, decision trees have been used to represent controllers (a.k.a. policies) in an explainable way, with dtControl2 as a current state-of-the-art tool. However, for systems that are large or have many corner cases, even such representations tend to be too complex and not human-comprehensible. Unfortunately, reducing the size of the decision tree is not straightforward, as missing just a single crucial case might result in an incorrect controller. We tackle this issue in the setting of Markov decision processes, extending dtControl2 by "$\varepsilon$" functionality: Given an allowed imprecision $\varepsilon \geq 0$, we construct a smaller decision tree, distilling the essence of the controller, while still guaranteeing its $\varepsilon$-optimality. This enables us to provide tunably simpler explanations, omitting a controllable amount of detail. Our tool constructs decision trees that are orders of magnitude smaller than the state of the art.

We investigate the extent to which the reduced minimal Weierstrass coefficients of an elliptic curve over $\mathbb{Q}$ may be computed from it's Frobenius traces. Decision tree models reveal that the first two reduced minimal Weierstrass coefficients can be recovered with perfect accuracy from the Frobenius traces at the primes $2$ and $3$, and the third by supplementing these two traces with the conductor parity. We subsequently prove explicit formulae for these coefficients using the Frobenius traces and conductor parity. These formulae appear to be new. In particular, we deduce that the first three reduced minimal Weierstrass coefficients of an elliptic curve are determined by its isogeny class.

Physics-Informed Neural Networks (PINNs) solve differential equations by minimizing the residual of a nonlinear operator over a neural parameterization of the solution. However, monolithic PINNs often suffer from ill-conditioning, spectral bias, and optimization instability. We introduce a variational boosting framework in which solutions are constructed additively in function space. Each stage trains a weak learner whose converged correction satisfies a local orthogonality condition, equivalent to a projected functional gradient descent step onto the tangent space of the network's function manifold. Because each correction network is deliberately small, the restricted minimization admits full Newton or conjugate gradient updates, which are typically infeasible in large PINNs. The resulting method separates global nonlinear refinement into a sequence of well-conditioned subproblems while preserving the full variational structure of the operator. This framework provides a geometric interpretation of multi-stage PINNs as projected functional gradient descent and enables stable second-order optimization for nonlinear differential equations.

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.

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.

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.

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.

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.

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.

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.

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 $\mathrm{PSPACE}$.

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.

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.

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.

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.

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.

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.

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.

Trust in a decision-making system requires both safety guarantees and the ability to interpret and understand its behavior. This is particularly important for learned systems, whose decision-making processes are often highly opaque. Shielding is a prominent model-based technique for enforcing safety in reinforcement learning. However, because shields are automatically synthesized using rigorous formal methods, their decisions are often similarly difficult for humans to interpret. Recently, decision trees became customary to represent controllers and policies. However, since shields are inherently non-deterministic, their decision tree representations become too large to be explainable in practice. To address this challenge, we propose a novel approach for explainable safe RL that enhances trust by providing human-interpretable explanations of the shield's decisions. Our method represents the shielding policy as a hierarchy of decision trees, offering top-down, case-based explanations. At design time, we use a world model to analyze the safety risks of executing actions in given states. Based on this analysis, we construct both the shield and a high-level decision tree that classifies states into risk categories (safe, critical, dangerous, unsafe), explaining why a situation may be safety-critical. At runtime, we generate localized decision trees that explain which actions are allowed and why others are deemed unsafe. Our method facilitates explainability of the safety aspect in safe-by-shielding reinforcement learning, requires no additional information beyond what is already used for shielding, incurs minimal overhead, and integrates readily into existing shielded RL pipelines. In our experiments, we compute explanations using decision trees that are several orders of magnitude smaller than the original shield.

Gradient boosted decision trees require a stopping rule to avoid overfitting. The standard rule monitors a validation loss and stops if the loss fails to improve for a fixed patience period. However, the patience parameter has no interpretable scale and validation losses can be noisy or implicitly defined by a user-specified gradient. We propose ScoreStop, a gradient-based early-stopping rule that casts the stopping decision at each iteration as a test of the null hypothesis that the current predictor is the population risk minimizer. We use a functional score test, computed on validation data, with a statistic that is scale-invariant in the update direction, with a known asymptotic distribution under the null. Because our test uses gradients rather than loss values, the same construction applies to implicit losses such as LambdaRank, and data-dependent losses such as Cox regression via influence functions. In synthetic experiments and real-data benchmarks, we show that ScoreStop is competitive with loss-based methods.

We study fixed-confidence best-action identification (BAI) in stochastic minimax trees. This problem is increasingly relevant in modern AI planning, where deep minimax search and Monte Carlo Tree Search (MCTS) with language model long rollouts face a fundamental tradeoff: heuristic evaluations are cheap but biased, while accurate rollouts are reliable but prohibitively expensive. We propose 2FFS, a two-fidelity tree-search algorithm that brings multi-fidelity flat bandit ideas into trees. The algorithm combines minimax-style fast expansion with MCTS-style stochastic sampling, adaptively deciding when to exploit cheap biased evaluations and when to invoke expensive accurate evaluations for local certification. We prove fixed-confidence correctness, establish finite stopping for exact identification, and give a polynomial-depth cost upper bound for general-depth trees. Across numerical stochastic-tree experiments, 2FFS uses substantially fewer samples and computational operations comparing to existing BAI-MCTS baseline.

We ask: when do Bayesian model averaging (BMA) weights over decision trees carry sufficient epistemic information to justify committed exploitation of the averaging distribution? We answer this question in closed form for Bayesian decision trees (BDTs) with Dirichlet-Multinomial leaf models and a Catalan-exponential tree-size prior (Schetinin&Jakaite, 2025), establishing a complete non-asymptotic theory of rational commitment thresholds.

Standard machine learning pipelines often admit many near-optimal models. These "Rashomon sets" pose a range of challenges and opportunities for uncertainty-aware, robust decision making. They allow users to incorporate domain knowledge and preferences that would otherwise be difficult to specify directly in an objective, and they quantify diversity among valid models for a given training dataset and objective function. However, computation of Rashomon sets, even for simple, interpretable model classes such as sparse decision trees, continues to require immense memory and runtime resources. We present PRAXIS, an algorithm to approximate this Rashomon set with orders of magnitude improvement in runtime and memory usage. We validate that PRAXIS regularly recovers almost all of the full Rashomon set. PRAXIS allows researchers and practitioners to scalably model the Rashomon set for real-world datasets. Code for PRAXIS is available at https://github.com/zakk-h/PRAXIS

Bagging-based ensembles, most notably Adaptive Random Forests, are among the strongest performers for learning from data streams. A common denominator across these methods is their reliance on Hoeffding Trees as base learners, which grow decision trees incrementally by testing whether a candidate split is significantly better than its alternatives using concentration inequalities. Despite their empirical success, existing variants lack valid statistical guarantees. Current analyses rely on fixed-sample concentration bounds, while split decisions are made using data-dependent stopping rules, which invalidates their guarantees and can drive the probabilty of incorrect splits to one. We introduce a principled alternative based on anytime-valid inference. Our method provides: (i) anytime-valid control of false splits under arbitrary data streams, including non-stationary settings; (ii) finite commitment time under a predictive advantage; and (iii) under stationary i.i.d. data, risk is monotone decreasing and strictly improves at every split. Empirically, we evaluate both standalone trees and their use within Adaptive Random Forests on non-stationary streams. Our method improves performance while producing substantially smaller trees.

Survival analysis concerns the task of predicting the time until an event occurs. Often used in the medical field, survival analysis deals with incomplete (i.e., censored) data, for instance, from patients who did not experience the event during the duration of the study. For practical use, both accuracy and interpretability are important. Survival trees are easy-to-follow survival models that split the patient cohort recursively into discrete patient groups. Whilst survival trees can capture complex relationships, they typically need to grow large, threatening interpretability. Moreover, survival trees are often built using greedy approaches that may overlook globally optimal split combinations, limiting predictive performance. Shallow survival trees require expressive, higher-order feature combinations to achieve competitive accuracy. We therefore use genetic programming to multi-objectively evolve inherently inspectable feature sets and study how they interact with different tree induction strategies. We further introduce an evolutionary approach that jointly optimises the survival tree structure and the non-linear split logic. Our findings demonstrate that evolutionary feature construction improves predictive performance across different tree induction strategies on two real-world datasets and two different survival tree depths. Given its speed and flexible presentation, the multi-objective evolution of entire trees likely holds the most future promise.

Tree ensembles are machine learning models with strong predictive performance and interpretability, and remain widely used for tabular data. Standard pruning methods for tree ensembles typically optimize an accuracy-compression trade-off and may change a subset of predictions, potentially compromising decision consistency. Faithful pruning methods address this issue by preserving prediction equivalence over the entire input space, but this requirement leads to lower compression ratios. We propose PINE, a pruning method that provides strong guarantees within an in-distribution region. PINE preserves prediction equivalence within this region and controls the region size using a single parameter $α$ via conformal calibration. Experiments on 12 public tabular datasets show that PINE improves the compression ratio by up to 30% while preserving predictions at a comparable level to existing faithful pruning methods.

Despite Japan being one of the world's largest advanced democracies, the development of election forecasting models for its national elections remains limited. This study introduces nonlinear machine-learning forecasting models, based on decision tree and ensemble learning methods, for predicting the outcomes of Japanese lower-house elections. To assess the methodological benefits of our approach, we replicated the theoretical framework and dataset of Lewis-Beck and Tien's (LBT) foundational statistical forecasting model for Japanese elections. Our models demonstrated moderately but consistently improved predictive accuracy compared to LBT's model in both in-sample and out-of-sample evaluations, suggesting that nonlinear algorithms offer an alternative approach to classical linear methods in capturing complex electoral dynamics. This study represents one of the earlier applications of nonlinear machine-learning techniques to single-country election forecasting. It offers a replicable framework that, when combined with the country-specific electoral theories of other nations, may enhance the predictive performance of forecasting models in broader national contexts.

Learning high-quality oblique decision trees remains a significant challenge due to the discrete and non-convex nature of split optimization. We present the Hinge Regression Tree (HRT) framework, which reframes each oblique split as a nonlinear least-squares problem over two linear predictors whose max/min envelope induces ReLU-like representation capacity. We show that the resulting node-level optimization can be interpreted as a damped Newton method, and we establish the monotonic decrease of the node objective for its backtracking line-search variant. We establish, theoretically, that HRT is a universal approximator with an explicit $O(δ^2)$ approximation rate. Building upon this base learner, we propose HRT-Boost, a mathematically synergistic ensemble extension that couples node-level Newton updates with stage-wise functional gradient descent. We show that this ensemble construction admits a stage-wise empirical risk reduction guarantee under the squared loss. Empirical evaluations on synthetic and real-world benchmarks show that HRT is highly competitive with established single-tree baselines, and HRT-Boost compares favorably with strong ensemble baselines and often yields substantially more compact models. The code is publicly available at https://github.com/Hongyi-Li-sz/HRT-Boost.

Decision trees assign identical confidence to instances near and far from each split threshold. We introduce ternary decision trees, which augment each split node with an uncertainty zone of half-width delta. A decision-theoretic framework characterises the optimal zone width delta* as the solution to a node-local cost-minimisation problem; four formal properties are established: accuracy decomposition, a sufficiency condition for decided accuracy improvement, an exact efficiency characterisation (eta = Dec-Acc minus Acc_u, the accuracy gap between decided and boundary-uncertain predictions), and asymptotic consistency of the margin method. Instances within the zone receive predictions by weighted blending of both child subtrees and are flagged as boundary-uncertain. 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). All methods reuse statistics already computed during standard CART split finding, requiring no external noise specification. Evaluated across 71 of the 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 flagging rate), wins on 42 of 72 datasets, and requires zero hyperparameters. Analysis on Breiman synthetic benchmarks confirms margin is self-calibrating on clean data. On mammography, node-bootstrap achieves +0.71% decided accuracy by flagging 10.8% of cases as boundary-uncertain.

Partial Dependence Plots (PDPs) visualize how changes in a single feature affect the average model prediction. They are widely used in practice to interpret decision tree ensembles and other machine learning models. Joint-PDPs extend this idea to pairs of features, revealing their combined effect. Partial Dependence Interaction Values (PDIVs) measure feature interactions. The Any-Order-PDIVs task computes these interactions for every feature subset across all rows of the dataset. We introduce Woodelf++, a unified and efficient approach for computing all these useful explainability tools on decision tree ensembles, building on Woodelf, an algorithm for efficient SHAP computation. By deriving suitable metrics over pseudo-Boolean functions, Woodelf++ can compute PDPs (exact and approximate), Joint-PDPs, and Any-Order-PDIVs in a unified framework. Our method delivers substantial complexity improvements over the state of the art, including an exponential gain for Any-Order-PDIVs. Additionally, we introduce and efficiently compute Full PDPs, which leverage the model's split thresholds to faithfully capture its behavior across all possible feature values. Woodelf++ is implemented in pure Python and supports GPU acceleration. On a dataset with 400,000 rows, Woodelf++ computes PDP and Joint-PDP up to 6x faster than the state of the art and up to five orders of magnitude faster than scikit-learn. For Any-Order-PDIVs, the gap is even larger: Woodelf++ computes all interaction values in 5 minutes, while the state of the art is estimated to require over 1,000,000 years.

Pattern discovery in data plays a crucial role across diverse domains, including healthcare, risk assessment, and machinery maintenance. In contrast to black-box deep learning models, symbolic rule discovery emerges as a key data mining task, generating human-interpretable rules that offer both transparency and intuitive explainability. This paper introduces the Optimal Pattern Detection Tree (OPDT), a rule-based machine learning model based on novel mixed-integer programming to discover a single optimal pattern in data through binary classification. To incorporate prior knowledge and compliance requirements, we further introduce the Branching Structure Constraints (BSC) framework, which enables decision makers to encode domain knowledge and constraints directly into the model. This optimization-based approach discovers a hidden underlying pattern in datasets, when it exists, by identifying an optimal rule that maximizes coverage while minimizing the false positive rate due to misclassification. Our computational experiments show that OPDT discovers a pattern with optimality guarantees on moderately sized datasets within reasonable runtime.

Decision tree ensembles (DTE) are a popular model for a wide range of AI classification tasks, used in multiple safety critical domains, and hence verifying properties on these models has been an active topic of study over the last decade. One such verification question is the problem of sensitivity, which asks, given a DTE, whether a small change in subset of features can lead to misclassification of the input. In this work, our focus is to build a quantitative notion of sensitivity, tailored to DTEs, by discretizing the input space of the model and enumerating the regions which are susceptible to sensitivity. We propose a novel algorithmic technique that can perform this computation efficiently, within a certified error and confidence bound. Our approach is based on encoding the problem as an algebraic decision diagram (ADD), and further splitting it into subproblems that can be solved efficiently and make the computation compositional and scalable. We evaluate the performance of our technique over benchmarks of varying size in terms of number of trees and depth, comparing it against the performance of model counters over the same problem encoding. Experimental results show that our tool XCount achieves significant speedup over other approaches and can scale well with the increasing sizes of the ensembles.

Decision tree learning has long been a central topic in theoretical computer science, driven by its practical importance. A fundamental and widely used method for decision tree construction is the top-down greedy heuristic, which recursively splits on the most influential variable. Despite its empirical success, theoretical analysis of this heuristic has been limited. A recent breakthrough by Blanc et al. (ITCS, 2020) provided the first rigorous theoretical guarantees for the greedy approach, but only under the uniform distribution. We extend this analysis to the more general and practically relevant setting of arbitrary product distributions. Our main result shows that for any function $f$ computable by an optimal decision tree of size $s$, maximum depth $D_{\text{opt}}$, and average depth $Δ_{\text{opt}}$, the greedy heuristic constructs an $ε$-approximating tree whose size grows at most with $\exp(Δ_{\text{opt}} D_{\text{opt}} \log(e/ε))$. In the special case where the optimal tree is a full binary tree, this bound improves upon the bound of Blanc et al. and holds under a strictly broader class of distributions. Moreover, we present an algorithm based on the top-down greedy heuristic that is entirely parameter-free -- it requires no prior knowledge of the optimal tree's size or depth -- offering a practical advantage over Blanc et al.'s method.