decision tree learning
A Bregman Perspective on Classification and Regression Trees
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.
The Rashomon Set Has It All: Analyzing Trustworthiness of Trees under Multiplicity
In practice, many models from a function class can fit a dataset almost equally well. This collection of near-optimal models is known as the Rashomon set. Prior work has shown that the Rashomon set offers flexibility in choosing models aligned with secondary objectives like interpretability or fairness. However, it is unclear how far this flexibility extends to different trustworthy criteria, especially given that most trustworthy machine learning systems today still rely on complex specialized optimization procedures. Is the Rashomon set all you need for trustworthy model selection?
Regression Trees Know Calculus
Regression trees have emerged as a preeminent tool for solving real-world regression problems due to their ability to deal with nonlinearities, interaction effects and sharp discontinuities. In this article, we rather study regression trees applied to well-behaved, differentiable functions, and determine the relationship between node parameters and the local gradient of the function being approximated. We find a simple estimate of the gradient which can be efficiently computed using quantities exposed by popular tree learning libraries. This allows tools developed in the context of differentiable algorithms, like neural nets and Gaussian processes, to be deployed to tree-based models. To demonstrate this, we study measures of model sensitivity defined in terms of integro-differential quantities and demonstrate how to compute them for regression trees using the proposed gradient estimates. Quantitative and qualitative numerical experiments reveal the capability of gradients estimated by regression trees to improve predictive analysis, solve tasks in uncertainty quantification, and provide interpretation of model behavior.
Autoencoding Random Forests
We propose a principled method for autoencoding with random forests. Our strategy builds on foundational results from nonparametric statistics and spectral graph theory to learn a low-dimensional embedding of the model that optimally represents relationships in the data. We provide exact and approximate solutions to the decoding problem via constrained optimization, split relabeling, and nearest neighbors regression. These methods effectively invert the compression pipeline, establishing a map from the embedding space back to the input space using splits learned by the ensemble's constituent trees. The resulting decoders are universally consistent under common regularity assumptions. The procedure works with supervised or unsupervised models, providing a window into conditional or joint distributions. We demonstrate various applications of this autoencoder, including powerful new tools for visualization, compression, clustering, and denoising. Experiments illustrate the ease and utility of our method in a wide range of settings, including tabular, image, and genomic data.
Kernel of Partition Paths: A Unified Representation for Tree Ensembles
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 featureimportance 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 pathisometric 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.
AFaster Training Algorithm for Regression Trees with Linear Leaves, and an Analysis of its Complexity
We consider the Tree Alternating Optimization (TAO) algorithm to train regression trees with linear predictors in the leaves. Unlike the traditional, greedy recursive partitioning algorithms such as CART, TAO guarantees a monotonic decrease of the objective function and results in smaller trees of much better accuracy. We modify the TAO algorithm so that it produces exactly the same result but is much faster, particularly for high input dimensionality or deep trees. The idea is based on the fact that, at each iteration of TAO, each leaf receives only a subset of the training instances. Thus, the optimization of the leaf model can be done exactly but faster by using the Sherman-Morrison-Woodbury formula. This has the unexpected advantage that, once a tree exceeds a critical depth, then making it deeper makes it faster to train, even though the tree is larger and has more parameters. Indeed, this can make learning a nonlinear model (the tree) asymptotically faster than a regular linear regression model. We analyze the corresponding computational complexity and verify the speedups experimentally in various datasets. The argument can be applied to other types of trees, whenever the optimization of a node can be computed in superlinear time of the number of instances.
Empowering Decision Trees via Shape Function Branching
Decision trees are prized for their interpretability and strong performance on tabular data. Yet, their reliance on simple axis-aligned linear splits often forces deep, complex structures to capture non-linear feature effects, undermining human comprehension of the constructed tree. To address this limitation, we propose a novel generalization of a decision tree, the Shape Generalized Tree (SGT), in which each internal node applies a learnable axis-aligned shape function to a single feature, enabling rich, non-linear partitioning in one split. As users can easily visualize each node's shape function, SGTs are inherently interpretable and provide intuitive, visual explanations of the model's decision mechanisms. To learn SGTs from data, we propose ShapeCART, an efficient induction algorithm for SGTs. We further extend the SGT framework to bivariate shape functions (S2GT) and multi-way trees (SGTK), and present Shape2CART and ShapeCARTK, extensions to ShapeCART for learning S2GTs and SGTKs, respectively. Experiments on various datasets show that SGTs achieve superior performance with reduced model size compared to traditional axis-aligned linear trees.
LLMMeeting Decision Trees on Tabular Data
Tabular data have been playing a vital role in diverse real-world fields, including healthcare, finance, etc. With the recent success of Large Language Models (LLMs), early explorations of extending LLMs to the domain of tabular data have been developed. Most of these LLM-based methods typically first serialize tabular data into natural language descriptions, and then tune LLMs or directly infer on these serialized data. However, these methods suffer from two key inherent issues: (i) data perspective: existing data serialization methods lack universal applicability for structured tabular data, and may pose privacy risks through direct textual exposure, and (ii) model perspective: LLM fine-tuning methods struggle with tabular data, and in-context learning scalability is bottle-necked by input length constraints (suitable for few-shot learning). This work explores a novel direction of integrating LLMs into tabular data through logical decision tree rules as intermediaries, proposing a decision tree enhancer with LLM-derived rule for tabular prediction, DeLTa. The proposed DeLTa avoids tabular data serialization, and can be applied to full data learning setting without LLM fine-tuning. Specifically, we leverage the reasoning ability of LLMs to redesign an improved rule given a set of decision tree rules. Furthermore, we provide a calibration method for original decision trees via new generated rule by LLM, which approximates the error correction vector to steer the original decision tree predictions in the direction of "errors" reducing. Finally, extensive experiments on diverse tabular benchmarks show that our method achieves state-of-the-art performance.
SPOT: Scalable Policy Optimization with Trees for Markov Decision Processes
Interpretable reinforcement learning policies are essential for high-stakes decisionmaking, yet optimizing decision tree policies in Markov Decision Processes (MDPs) remains challenging. We propose SPOT, a novel method for computing decision tree policies, which formulates the optimization problem as a mixedinteger linear program (MILP). To enhance efficiency, we employ a reduced-space branch-and-bound approach that decouples the MDP dynamics from tree-structure constraints, enabling efficient parallel search. This significantly improves runtime and scalability compared to previous methods. Our approach ensures that each iteration yields the optimal decision tree. Experimental results on standard benchmarks demonstrate that SPOT achieves substantial speedup and scales to larger MDPs with a significantly higher number of states. The resulting decision tree policies are interpretable and compact, maintaining transparency without compromising performance. These results demonstrate that our approach simultaneously achieves interpretability and scalability, delivering high-quality policies an order of magnitude faster than existing approaches.
Improving Decision Trees through the Lens of Parameterized Local Search
Algorithms for learning decision trees often include heuristic local-search operations such as (1) adjusting the threshold of a cut or (2) also exchanging the feature of that cut. We study minimizing the number of classification errors by performing a fixed number of a single type of these operations. Although we discover that the corresponding problems are NP-complete in general, we provide a comprehensive parameterized-complexity analysis with the aim of determining those properties of the problems that explain the hardness and those that make the problems tractable. For instance, we show that the problems remain hard for a small number d of features or small domain size D but the combination of both yields fixed-parameter tractability. That is, the problems are solvable in (D+1)2d |I|O(1) time, where |I|is the size of the input. We also provide a proof-of-concept implementation of this algorithm and report on empirical results.