ShapDBM: Exploring Decision Boundary Maps in Shapley Space

Shapley values, a solution concept from cooperative game theory, have recently become a standard tool for feature credit allocation in machine learning. They provide an axiomatically justified method to fairly distribute a model's prediction among the data features. Shapley values have not yet been applied to explain machine learning models trained on features from topological data analysis. We develop what we believe is the first such approach, focusing on the persistence landscape featurization of persistence diagrams. Because each landscape coordinate is a rank statistic, crediting a model's prediction back to individual persistent homology classes (persistence diagram points) is nontrivial. We introduce LandscapeSHAP, a method for fair credit allocation to persistence diagram points based on a model's prediction. For linear models on persistence landscapes, LandscapeSHAP has a closed form expression that gives the exact Shapley value of every persistence diagram point. In particular, there is no coalition sampling required. We further prove that the four Shapley "fairness" axioms uniquely characterize this credit allocation for any model, not only linear ones. For a general nonlinear model, this unique value can only be calculated exactly from its defining coalition averaging formula, which requires considering all $2^N$ many coalitions, where $N$ is the number of points in the persistence diagram. This is computationally intractable for persistence diagrams of realistic size. We complement the exact linear model result with an efficient Monte Carlo sampling of persistence diagram coalitions. We give convergence rates in terms of number of samples needed to approximate to a desired degree of accuracy. We also prove stability results for the LandscapeSHAP credit allocation, for any model.

Self-Organizing Maps (SOMs) have long been used as exploratory tools for high-dimensional data: they organize objects into a two-dimensional topology that reveals clusters, gradients, sparse regions, dense regions, and boundaries. Yet, in modern data systems, SOMs are typically trained and visualized outside the DBMS, disconnected from the relational data they summarize. We introduce the abstraction of a queryable data map: a learned topological artifact consisting of representatives, neighborhood relations, object assignments, and derived summaries. We instantiate this idea with MapDB, a lightweight prototype that makes SOM artifacts queryable so users can explore data topology without leaving the database. Experimental study shows that SOM training is feasible at moderate analytical scale, that map queries are interactive after materialization, and that SOM regions provide meaningful targets for exploratory SQL.

Numerous methods have been developed to quantify feature attributions in individual predictions for tree ensembles. However, many applications require global measures of feature contributions to overall model performance. Although local attribution scores can be aggregated to characterize feature importance, such summaries do not directly decompose measures of predictive performance, such as $R^2$. This article introduces qshap, available in both R and Python, which provides Shapley decomposition of $R^2$ values for gradient-boosted decision trees (GBDTs) to quantify feature-specific contributions to model performance. By decomposing the quadratic loss of individual observations, qshap provides flexible tools to explore the importance of individual features and observations. qshap currently supports widely used GBDT implementations, including xgboost, lightgbm, and catboost, through a unified tree representation and efficient C++ backends. Its modular design can accommodate other GBDT implementations built from binary decision trees. In addition, we introduce a specialized backend for oblivious trees that exploits their symmetric structure to substantially accelerate computation.