Explainable uncertainty quantifications for deep learning-based molecular property prediction

CI Yang, YP Li - Journal of Cheminformatics, 2023 - Springer
Quantifying uncertainty in machine learning is important in new research areas with scarce
high-quality data. In this work, we develop an explainable uncertainty quantification method …

Conformal prediction with missing values

M Zaffran, A Dieuleveut, J Josse… - … on Machine Learning, 2023 - proceedings.mlr.press
Conformal prediction is a theoretically grounded framework for constructing predictive
intervals. We study conformal prediction with missing values in the covariates–a setting that …

Improving uncertainty quantification of deep classifiers via neighborhood conformal prediction: Novel algorithm and theoretical analysis

S Ghosh, T Belkhouja, Y Yan, JR Doppa - Proceedings of the AAAI …, 2023 - ojs.aaai.org
Safe deployment of deep neural networks in high-stake real-world applications require
theoretically sound uncertainty quantification. Conformal prediction (CP) is a principled …

Few-shot calibration of set predictors via meta-learned cross-validation-based conformal prediction

S Park, KM Cohen, O Simeone - IEEE Transactions on Pattern …, 2023 - ieeexplore.ieee.org
Conventional frequentist learning is known to yield poorly calibrated models that fail to
reliably quantify the uncertainty of their decisions. Bayesian learning can improve …

Conformal prediction with temporal quantile adjustments

Z Lin, S Trivedi, J Sun - Advances in Neural Information …, 2022 - proceedings.neurips.cc
Abstract We develop Temporal Quantile Adjustment (TQA), a general method to construct
efficient and valid prediction intervals (PIs) for regression on cross-sectional time series …

Adaptive conformal prediction by reweighting nonconformity score

SI Amoukou, NJB Brunel - arXiv preprint arXiv:2303.12695, 2023 - arxiv.org
Despite attractive theoretical guarantees and practical successes, Predictive Interval (PI)
given by Conformal Prediction (CP) may not reflect the uncertainty of a given model. This …

Approximating full conformal prediction at scale via influence functions

JA Martinez, U Bhatt, A Weller… - Proceedings of the AAAI …, 2023 - ojs.aaai.org
Conformal prediction (CP) is a wrapper around traditional machine learning models, giving
coverage guarantees under the sole assumption of exchangeability; in classification …

Conformal prediction intervals with temporal dependence

Z Lin, S Trivedi, J Sun - arXiv preprint arXiv:2205.12940, 2022 - arxiv.org
Cross-sectional prediction is common in many domains such as healthcare, including
forecasting tasks using electronic health records, where different patients form a cross …

Adaptive conformal regression with jackknife+ rescaled scores

N Deutschmann, M Rigotti, MR Martinez - arXiv preprint arXiv:2305.19901, 2023 - arxiv.org
Conformal regression provides prediction intervals with global coverage guarantees, but
often fails to capture local error distributions, leading to non-homogeneous coverage. We …

MetaSTNet: Multimodal Meta-learning for Cellular Traffic Conformal Prediction

H Ma, K Yang - IEEE Transactions on Network Science and …, 2023 - ieeexplore.ieee.org
Network traffic prediction techniques have attracted much attention since they are valuable
for network congestion control and user experience improvement. While existing prediction …