Optimizing Probabilistic Conformal Prediction with Vectorized Non-Conformity Scores

Generative models have shown significant promise in critical domains such as medical diagnosis, autonomous driving, and climate science, where reliable decision-making hinges on accurate uncertainty quantification. While probabilistic conformal prediction (PCP) offers a powerful framework for this purpose, its coverage efficiency -- the size of the uncertainty set -- is limited when dealing with complex underlying distributions and a finite number of generated samples. In this paper, we propose a novel PCP framework that enhances efficiency by first vectorizing the non-conformity scores with ranked samples and then optimizing the shape of the prediction set by varying the quantiles for samples at the same rank. Our method delivers valid coverage while producing discontinuous and more efficient prediction sets, making it particularly suited for high-stakes applications. We demonstrate the effectiveness of our approach through experiments on both synthetic and real-world datasets.