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Conformal Prediction (CP) is a popular uncertainty quantification method that provides distribution-free, statistically valid prediction sets, assuming that training and test data are exchangeable. In such a case, CP's prediction sets are…

Logic in Computer Science · Computer Science 2024-11-19 Linus Jeary , Tom Kuipers , Mehran Hosseini , Nicola Paoletti

Building robust, interpretable, and secure AI system requires quantifying and representing uncertainty under a probabilistic perspective to mimic human cognitive abilities. However, probabilistic computation presents significant challenges…

Machine Learning · Computer Science 2024-01-15 Hengyuan Ma , Yang Qi , Li Zhang , Wenlian Lu , Jianfeng Feng

Neural posterior estimation (NPE), a simulation-based computational approach for Bayesian inference, has shown great success in approximating complex posterior distributions. Existing NPE methods typically rely on normalizing flows, which…

Machine Learning · Statistics 2025-03-14 Tianyu Chen , Vansh Bansal , James G. Scott

We present a deep transformation model for probabilistic regression. Deep learning is known for outstandingly accurate predictions on complex data but in regression tasks, it is predominantly used to just predict a single number. This…

Machine Learning · Statistics 2020-04-02 Beate Sick , Torsten Hothorn , Oliver Dürr

Neural network (NN) interatomic potentials provide fast prediction of potential energy surfaces, closely matching the accuracy of the electronic structure methods used to produce the training data. However, NN predictions are only reliable…

Machine Learning · Computer Science 2021-08-31 Daniel Schwalbe-Koda , Aik Rui Tan , Rafael Gómez-Bombarelli

Simulation-based inference methods that feature correct conditional coverage of confidence sets based on observations that have been compressed to a scalar test statistic require accurate modeling of either the p-value function or the…

Machine Learning · Statistics 2025-08-18 Ali Al Kadhim , Harrison B. Prosper

Predictive coding (PC) is an influential theory in computational neuroscience, which argues that the cortex forms unsupervised world models by implementing a hierarchical process of prediction error minimization. PC networks (PCNs) are…

Neural and Evolutionary Computing · Computer Science 2022-08-05 Beren Millidge , Yuhang Song , Tommaso Salvatori , Thomas Lukasiewicz , Rafal Bogacz

Neural network potentials (NNPs) combine the computational efficiency of classical interatomic potentials with the high accuracy and flexibility of the ab initio methods used to create the training set, but can also result in unphysical…

Materials Science · Physics 2022-01-24 Leonid Kahle , Federico Zipoli

Weighted conformal prediction (WCP) has been commonly used to quantify prediction uncertainty under covariate shift. However, the effectiveness of WCP relies heavily on the degree of overlap between the training and test covariate…

Methodology · Statistics 2026-04-02 Mufang Ying , Wenge Guo , Koulik Khamaru , Ying Hung

Neural processes (NPs) are models for transfer learning with properties reminiscent of Gaussian Processes (GPs). They are adept at modelling data consisting of few observations of many related functions on the same input space and are…

Machine Learning · Statistics 2023-02-24 Miguel Garcia-Ortegon , Andreas Bender , Sergio Bacallado

Effective decision making requires understanding the uncertainty inherent in a prediction. In regression, this uncertainty can be estimated by a variety of methods; however, many of these methods are laborious to tune, generate…

Machine Learning · Statistics 2021-12-02 Tianhui Zhou , Yitong Li , Yuan Wu , David Carlson

Deep learning models in robotics often output point estimates with poorly calibrated confidences, offering no native mechanism to quantify predictive reliability under novel, noisy, or out-of-distribution inputs. Conformal prediction (CP)…

Robotics · Computer Science 2025-09-29 Divake Kumar , Sina Tayebati , Francesco Migliarba , Ranganath Krishnan , Amit Ranjan Trivedi

Conditional neural processes (CNPs; Garnelo et al., 2018a) are attractive meta-learning models which produce well-calibrated predictions and are trainable via a simple maximum likelihood procedure. Although CNPs have many advantages, they…

Conditional Neural Processes (CNPs) are a class of metalearning models popular for combining the runtime efficiency of amortized inference with reliable uncertainty quantification. Many relevant machine learning tasks, such as in…

Graph Neural Networks (GNNs) excel in diverse tasks, yet their applications in high-stakes domains are often hampered by unreliable predictions. Although numerous uncertainty quantification methods have been proposed to address this…

Machine Learning · Computer Science 2024-07-22 Tianyi Zhao , Jian Kang , Lu Cheng

Conformal Prediction (CP) provides distribution-free uncertainty quantification by constructing prediction sets that guarantee coverage of the true labels. This reliability makes CP valuable for high-stakes federated learning scenarios such…

Machine Learning · Computer Science 2025-10-21 Rui Xu , Xingyuan Chen , Wenxing Huang , Minxuan Huang , Yun Xie , Weiyan Chen , Sihong Xie

We study prediction-powered conditional inference in the setting where labeled data are scarce, unlabeled covariates are abundant, and a black-box machine-learning predictor is available. The goal is to perform statistical inference on…

Machine Learning · Statistics 2026-03-09 Yang Sui , Jin Zhou , Hua Zhou , Xiaowu Dai

End-to-end deep neural networks have achieved remarkable success across various domains but are often criticized for their lack of interpretability. While post hoc explanation methods attempt to address this issue, they often fail to…

Machine Learning · Computer Science 2025-01-22 Weixin Chen , Simon Yu , Huajie Shao , Lui Sha , Han Zhao

Conditional expectation \mathbb{E}(Y \mid X) often fails to capture the complexity of multimodal conditional distributions \mathcal{L}(Y \mid X). To address this, we propose using n-point conditional quantizations--functional mappings of X…

Machine Learning · Computer Science 2025-05-21 Blaise Delattre , Sylvain Delattre , Alexandre Vérine , Alexandre Allauzen

In order to represent the preferences of a group of individuals, we introduce Probabilistic CP-nets (PCP-nets). PCP-nets provide a compact language for representing probability distributions over preference orderings. We argue that they are…

Artificial Intelligence · Computer Science 2013-09-27 Damien Bigot , Bruno Zanuttini , Helene Fargier , Jerome Mengin