Multivariate Conformal Selection

Fuente: arXiv
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Main Authors: Bai, Tian, Zhao, Yue, Yu, Xiang, Yang, Archer Y.
Format: Preprint
Published: 2025
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author Bai, Tian
Zhao, Yue
Yu, Xiang
Yang, Archer Y.
author_facet Bai, Tian
Zhao, Yue
Yu, Xiang
Yang, Archer Y.
contents Selecting high-quality candidates from large datasets is critical in applications such as drug discovery, precision medicine, and alignment of large language models (LLMs). While Conformal Selection (CS) provides rigorous uncertainty quantification, it is limited to univariate responses and scalar criteria. To address this issue, we propose Multivariate Conformal Selection (mCS), a generalization of CS designed for multivariate response settings. Our method introduces regional monotonicity and employs multivariate nonconformity scores to construct conformal p-values, enabling finite-sample False Discovery Rate (FDR) control. We present two variants: mCS-dist, using distance-based scores, and mCS-learn, which learns optimal scores via differentiable optimization. Experiments on simulated and real-world datasets demonstrate that mCS significantly improves selection power while maintaining FDR control, establishing it as a robust framework for multivariate selection tasks.
format Preprint
id arxiv_https___arxiv_org_abs_2505_00917
institution arXiv
publishDate 2025
record_format arxiv
spellingShingle Multivariate Conformal Selection
Bai, Tian
Zhao, Yue
Yu, Xiang
Yang, Archer Y.
Methodology
Artificial Intelligence
Machine Learning
Selecting high-quality candidates from large datasets is critical in applications such as drug discovery, precision medicine, and alignment of large language models (LLMs). While Conformal Selection (CS) provides rigorous uncertainty quantification, it is limited to univariate responses and scalar criteria. To address this issue, we propose Multivariate Conformal Selection (mCS), a generalization of CS designed for multivariate response settings. Our method introduces regional monotonicity and employs multivariate nonconformity scores to construct conformal p-values, enabling finite-sample False Discovery Rate (FDR) control. We present two variants: mCS-dist, using distance-based scores, and mCS-learn, which learns optimal scores via differentiable optimization. Experiments on simulated and real-world datasets demonstrate that mCS significantly improves selection power while maintaining FDR control, establishing it as a robust framework for multivariate selection tasks.
title Multivariate Conformal Selection
topic Methodology
Artificial Intelligence
Machine Learning
url https://arxiv.org/abs/2505.00917