Conformal Prediction in Hierarchical Classification with Constrained Representation Complexity

arXiv stat.ML / 4/13/2026

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Key Points

  • The paper extends split conformal prediction to hierarchical classification, focusing on how prediction sets can be constrained by a predefined label hierarchy.
  • It proposes two computationally efficient inference algorithms: one that outputs internal hierarchy nodes as prediction sets and another that relaxes this restriction for better set size.
  • The relaxed method uses a representation-complexity trade-off, producing smaller prediction sets while introducing a more general and combinatorial inference step.
  • Experiments on multiple benchmark datasets show that both approaches achieve nominal coverage, indicating validity of the resulting prediction sets under the hierarchical setting.

Abstract

Conformal prediction has emerged as a widely used framework for constructing valid prediction sets in classification and regression tasks. In this work, we extend the split conformal prediction framework to hierarchical classification, where prediction sets are commonly restricted to internal nodes of a predefined hierarchy, and propose two computationally efficient inference algorithms. The first algorithm returns internal nodes as prediction sets, while the second one relaxes this restriction. Using the notion of representation complexity, the latter yields smaller set sizes at the cost of a more general and combinatorial inference problem. Empirical evaluations on several benchmark datasets demonstrate the effectiveness of the proposed algorithms in achieving nominal coverage.