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 Ensemble Learning


Gradient boosting with vector-valued leafs

arXiv.org Machine Learning

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.


Doubly Robust Adaptive Conformal Inference for Causal Effects Under Temporal Dependence

arXiv.org Machine Learning

We propose doubly robust adaptive conformal inference (DR-ACI), which constructs prediction intervals for doubly robust pseudo-outcomes under temporal dependence. Calibration targets the pseudo-outcome ψDRt; under estimator consistency, this yields asymptotically conservative CATE containment (Corollary 6). Temporal block cross-fitting preserves switch-coefficient mixing bounds and the DML product-bias rate up to an explicit coupling remainder.


A functional central limit theorem for kernel gradient flow and infinitesimal gradient boosting

arXiv.org Machine Learning

Building on the large-sample analysis of infinitesimal gradient boosting (Dombry and Duchamps, 2024b), we study the fluctuations of the process around its deterministic limit and establish a functional central limit theorem: the rescaled deviations converge in distribution to a Gaussian process. The analysis is carried out in a reproducing kernel Hilbert space (RKHS) naturally associated with the softmax gradient tree base learner, in which the boosting process is characterized as the solution of an autonomous ordinary differential equation (ODE). The proof rests on a general stochastic perturbation analysis of ODEs in Banach spaces, which is of independent interest: whenever a sequence of vector fields converges and satisfies a central limit theorem, so does the associated ODE solution. We first illustrate this perturbation approach in the simpler setting of kernel gradient flow, where the Gaussian limit admits an explicit characterization, and then consider the more complicated tree-based gradient boosting setting.


TabSTAR: ATabular Foundation Model for Tabular Data with Text Fields

Neural Information Processing Systems

While deep learning has achieved remarkable success across many domains, it has historically underperformed on tabular learning tasks, which remain dominated by gradient boosting decision trees. However, recent advancements are paving the way for Tabular Foundation Models, which can leverage real-world knowledge and generalize across diverse datasets, particularly when the data contains free-text. Although incorporating language model capabilities into tabular tasks has been explored, most existing methods utilize static, target-agnostic textual representations, limiting their effectiveness. We introduce TabSTAR: a Tabular Foundation Model with Semantically Target-Aware Representations. TabSTAR is designed to enable transfer learning on tabular data with textual features, with an architecture free of dataset-specific parameters. It unfreezes a pretrained text encoder and takes as input target tokens, which provide the model with the context needed to learn task-specific embeddings. TabSTAR achieves state-of-the-art performance for both medium-and large-sized datasets across known benchmarks of classification tasks with text features, and its pretraining phase exhibits scaling laws in the number of datasets, offering a pathway for further performance improvements.1


Autoencoding Random Forests

Neural Information Processing Systems

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

arXiv.org Machine Learning

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.


ConTextTab: ASemantics-Aware Tabular In-Context Learner

Neural Information Processing Systems

Tabular in-context learning (ICL) has recently achieved state-of-the-art (SOTA) performance on several tabular prediction tasks. Previously restricted to classification problems on small tables, recent advances such as TabPFN [18] and TabICL [30] have extended its use to larger datasets. Although current table-native ICL architectures are architecturally efficient and well-adapted to tabular data structures, their exclusive training on synthetic data limits their ability to fully leverage the rich semantics and world knowledge contained in real-world tabular data. At the other end of the spectrum, tabular ICL models based on pretrained large language models such as TabuLa-8B [12] integrate deep semantic understanding and world knowledge but are only able to make use of a small amount of context due to inherent architectural limitations. With the aim to combine the best of both these worlds, we introduce ConTextTab, integrating semantic understanding and alignment into a table-native ICL framework. By employing specialized embeddings for different data modalities and by training on large-scale real-world tabular data, our model is competitive with SOTA across a broad set of benchmarks while setting a new standard on the semantically rich CARTE benchmark.


Learning Gradient Boosted Decision Trees with Algorithmic Recourse

Neural Information Processing Systems

This paper proposes a new algorithm for learning gradient boosted decision trees while ensuring the existence of recourse actions. Algorithmic recourse aims to provide a recourse action for altering the undesired prediction result given by a model. While existing studies often focus on extracting valid and executable actions from a given learned model, such reasonable actions do not always exist for models optimized solely for predictive accuracy. To address this issue, recent studies proposed a framework for learning a model while guaranteeing the existence of reasonable actions with high probability. However, these methods can not be applied to gradient boosted decision trees, which are renowned as one of the most popular models for tabular datasets. We propose an efficient gradient boosting algorithm that takes recourse guarantee into account, while maintaining the same time complexity as the standard ones. We also propose a post-processing method for refining a learned model under the constraint of a recourse guarantee and provide a PAC-style analysis of the refined model. Experimental results demonstrated that our method successfully provided reasonable actions to more instances than the baselines without significantly degrading accuracy and computational efficiency.


Fréchet Geodesic Boosting

Neural Information Processing Systems

Gradient boosting has become a cornerstone of machine learning, enabling base learners such as decision trees to achieve exceptional predictive performance. While existing algorithms primarily handle scalar or Euclidean outputs, increasingly prevalent complex-structured data, such as distributions, networks, and manifoldvalued outputs, present challenges for traditional methods. Such non-Euclidean data lack algebraic structures such as addition, subtraction, or scalar multiplication required by standard gradient boosting frameworks. To address these challenges, we introduce Fréchet geodesic boosting (FGBoost), a novel approach tailored for outputs residing in geodesic metric spaces. FGBoost leverages geodesics as proxies for residuals and constructs ensembles in a way that respects the intrinsic geometry of the output space. Through theoretical analysis, extensive simulations, and realworld applications, we demonstrate the strong performance and adaptability of FGBoost, showcasing its potential for modeling complex data.


Tree Ensemble Explainability through the Hoeffding Functional Decomposition and TreeHFD Algorithm

Neural Information Processing Systems

Tree ensembles have demonstrated state-of-the-art predictive performance across a wide range of problems involving tabular data. Nevertheless, the black-box nature of tree ensembles is a strong limitation, especially for applications with critical decisions at stake. The Hoeffding or ANOVA functional decomposition is a powerful explainability method, as it breaks down black-box models into a unique sum of lower-dimensional functions, provided that input variables are independent. In standard learning settings, input variables are often dependent, and the Hoeffding decomposition is generalized through hierarchical orthogonality constraints. Such generalization leads to unique and sparse decompositions with well-defined main effects and interactions. However, the practical estimation of this decomposition from a data sample is still an open problem. Therefore, we introduce the TreeHFD algorithm to estimate the Hoeffding decomposition of a tree ensemble from a data sample. We show the convergence of TreeHFD, along with the main properties of orthogonality, sparsity, and causal variable selection.