Vectorized Dynamic Histograms for Sparse Oblique Forests

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

Hyperparameter optimization (HPO) for Random Forest faces a specific difficulty in tuning the number of trees: the predictive score typically improves monotonically with ensemble size, so standard methods such as Tree-structured Parzen Estimator (TPE) and Hyperband require a predefined search range and often drive the estimate toward its right boundary. Early-stopping strategies avoid fixing such a range, but can be sensitive to score noise and prone to premature stopping. To address this, we propose an integrated triplet-based plateau-search algorithm that removes the number of trees from the direct TPE search space and still exploits information accumulated across HPO trials. The method adaptively tracks a near-minimal sufficient ensemble size by monitoring relative changes in the out-of-bag (OOB) score across a triplet of forest sizes and shifting this triplet accordingly. This yields an automated and user-interpretable procedure based on a tolerance parameter. We also provide a theoretical analysis: we relate the proposed relative OOB-score criterion to the gap between the current and limiting scores, and derive an asymptotic variance estimate for the corresponding OOB-based absolute relative difference. Experiments show that the selected number of trees can differ substantially from the common heuristic: for most classical benchmark datasets it is smaller, whereas for some high-dimensional bioinformatics datasets, such as Arcene and Dorothea, it is larger. The source code and reproducible experiments are available at https://github.com/lange-am/rf_plateau_hpo.

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.