A Hierarchy of Entropy-Shapley Games for Multivariate Predictive Uncertainty

Niklas Koenen, Claudia Battistin, Jeriek Van den Abeele, Martin Jullum

Modern probabilistic machine learning models increasingly produce multivariate outputs with complex dependence structure, from multi-step time-series forecasts to sample path predictions. Understanding which input features drive the predictive uncertainty is important for risk-aware decisions, model diagnostics, and deciding whether the uncertainty should be mitigated or hedged against. This attribution problem requires a choice of how dependencies between output components are treated. Existing approaches reduce the output to a scalar through aggregation or projection before attribution, thereby obscuring whether features affect marginal uncertainty, dependence structure, or both, while component-wise analyses can miss dependence effects entirely. We close this gap by introducing a hierarchy of three entropy-based Shapley games that make this output-side choice explicit for any ordered multivariate outcome, ranging from per-component marginal entropy to fully joint entropy. The hierarchy isolates a cross-component attribution term that captures how each feature shifts the dependence between output components, a quantity invisible to component-wise methods. We establish a…