Expanding Data-Agnostic Pivotal Instances Selection Models with Proximity Trees and Ensemble Learning

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.

Inherently interpretable classifiers for tabular data typically rely on sparse features, rules, or patterns that users can inspect directly. The marginal feature-screening step common to these methods can discard variables whose predictive value emerges only through joint configurations with other variables. We present Interaction Aware Interpretable Machine Learning (IAIML), a framework that addresses this limitation through three coordinated mechanisms: adaptive per-feature discretization, finite-grid pairwise interaction scoring, and a partitioned explanation budget. Detected interactions are routed through one of two strategies: relaxing the screening filter so that interaction-supported variables enter the pattern search, or constructing explicit pair terms for a sparse downstream classifier. On a 40-dataset panel comprising 24 real-world tabular benchmarks and 16 synthetic interaction stress tests, evaluated under nested cross-validation, IAIML achieves mean AUC within 1.4 points of tuned gradient-boosted ensembles while requiring roughly 14--28 times fewer fitted explanation components. On datasets with strong pairwise interaction structure and low marginal signal, IAIML outperforms all baselines. Among compact interpretable methods, IAIML is comparable to RuleFit in AUC and component count and is less expensive to tune. EBM obtains a small but significant AUC advantage across the full panel, with a substantially larger lookup-table footprint. Performance degrades on datasets requiring higher-order interactions beyond the pairwise scope. Component-isolated ablations confirm that adaptive discretization and interaction-aware admission each contribute incrementally. These results support IAIML as a compact, interaction-aware framework appropriate for settings where bounded explanation size and controlled treatment of feature interactions are design requirements.

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.