提出多条件置信选择算法,实现严格错误发现率控制。
Multi-Condition Conformal Selection
- 设计区域单调性非一致性分数处理联合条件选择
- 引入全局BH过程保障多条件场景下有限样本的FDR控制
- 适用于药物发现等需多条件筛选的真实场景
从大规模数据集中筛选高质量候选对象在资源受限的应用中至关重要,如药物发现、精准医疗和大语言模型对齐。虽然置信选择方法能提供严格的错误发现率(FDR)控制,但其应用局限于单阈值场景(即 y > c),忽视了实际中常见的联合或析取条件需求。本文提出多条件置信选择(MCCS)算法,将置信选择扩展至多条件场景。针对联合条件,提出具有区域单调性的新型非一致性分数;针对析取条件,采用全局Benjamini-Hochberg(BH)过程,从而在有限样本下建立理论保障的FDR控制。该方法在多种多条件组合、不同真实模态及多任务场景下均表现出优越性能与良好泛化能力。
原文摘要 · Abstract (English)
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.
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