Adaptive Uncertainty Quantification on Simplicial Complexes with Conformalized Simplicial Neural Networks
Lekun Wang, Jaidev Goel, Yulia R. Gel, Yao Xie
Abstract
Simplicial neural networks (SNNs) are powerful tools for prediction tasks on higher-order relational datasets stored on simplicial complexes (SCs), a higher-order generalization of graphs. However, SNNs usually lack rigorous uncertainty quantification (UQ), limiting their usefulness in high-stakes scenarios. We propose conformalized SNN (CF-SNN), a framework that, given a simplicial-complex entity with m prediction targets, generates prediction sets for all m targets simultaneously. Under mild assumptions, CF-SNN guarantees that, for each target, the prediction set contains the true label with a user-specified nominal coverage probability, and the realized miscoverage proportion across all m targets is guaranteed to remain close to the nominal level with high probability. Extensive experiments across a wide range of SC prediction tasks demonstrate that CF-SNN is a flexible UQ framework that achieves user-specified coverage while producing informative prediction sets of small size.