Multi-Condition Conformal Selection

Abstract

Selecting high-quality candidates from large-scale datasets is critically important in resource-constrained applications such as drug discovery, precision medicine, and the alignment of large language models. While conformal selection methods offer a rigorous solution with False Discovery Rate (FDR) control, their applicability is confined to single-threshold scenarios (i.e., y > c) and overlooks practical needs for multi-condition selection, such as conjunctive or disjunctive conditions. In this work, we propose the Multi-Condition Conformal Selection (MCCS) algorithm, which extends conformal selection to scenarios with multiple conditions. In particular, we introduce a novel nonconformity score with regional monotonicity for conjunctive conditions and a global Benjamini-Hochberg (BH) procedure for disjunctive conditions, thereby establishing finite-sample FDR control with theoretical guarantees. The integration of these components enables the proposed method to achieve rigorous FDR-controlled selection in various multi-condition environments. Extensive experiments validate the superiority of MCCS over baselines, its generalizability across diverse condition combinations, different real-world modalities, and multi-task scalability.