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Confidence estimation, a task that aims to evaluate the trustworthiness of the model's prediction output during deployment, has received lots of research attention recently, due to its importance for the safe deployment of deep models.…

Computer Vision and Pattern Recognition · Computer Science 2022-10-14 Haoxuan Qu , Yanchao Li , Lin Geng Foo , Jason Kuen , Jiuxiang Gu , Jun Liu

We present a scheme to obtain an inexpensive and reliable estimate of the uncertainty associated with the predictions of a machine-learning model of atomic and molecular properties. The scheme is based on resampling, with multiple models…

Chemical Physics · Physics 2025-10-06 Felix Musil , Michael J. Willatt , Mikhail A. Langovoy , Michele Ceriotti

In high-dimensional prediction settings, it remains challenging to reliably estimate the test performance. To address this challenge, a novel performance estimation framework is presented. This framework, called Learn2Evaluate, is based on…

Methodology · Statistics 2022-06-09 Jeroen M. Goedhart , Thomas Klausch , Mark A. van de Wiel

ML models deployed in production often have to face unknown domain changes, fundamentally different from their training settings. Performance prediction models carry out the crucial task of measuring the impact of these changes on model…

Machine Learning · Computer Science 2022-06-23 Simona Maggio , Victor Bouvier , Léo Dreyfus-Schmidt

The estimation of the amount of uncertainty featured by predictive machine learning models has acquired a great momentum in recent years. Uncertainty estimation provides the user with augmented information about the model's confidence in…

Machine Learning · Computer Science 2022-10-31 Ibai Laña , Ignacio , Olabarrieta , Javier Del Ser

Stochastic simulation models are generative models that mimic complex systems to help with decision-making. The reliability of these models heavily depends on well-calibrated input model parameters. However, in many practical scenarios,…

Methodology · Statistics 2024-11-11 Ziwei Su , Diego Klabjan

We propose a novel, succinct, and effective approach for distribution prediction to quantify uncertainty in machine learning. It incorporates adaptively flexible distribution prediction of $\mathbb{P}(\mathbf{y}|\mathbf{X}=x)$ in regression…

Machine Learning · Computer Science 2023-06-21 Xing Yan , Yonghua Su , Wenxuan Ma

A popular technique for selecting and tuning machine learning estimators is cross-validation. Cross-validation evaluates overall model fit, usually in terms of predictive accuracy. In causal inference, the optimal choice of estimator…

Methodology · Statistics 2021-07-07 Dominik Rothenhäusler

Explicit finite-sample statistical guarantees on model performance are an important ingredient in responsible machine learning. Previous work has focused mainly on bounding either the expected loss of a predictor or the probability that an…

Machine Learning · Computer Science 2024-03-07 Zhun Deng , Thomas P. Zollo , Jake C. Snell , Toniann Pitassi , Richard Zemel

Estimating the generalization error (GE) of machine learning models is fundamental, with resampling methods being the most common approach. However, in non-standard settings, particularly those where observations are not independently and…

An important component in deploying machine learning (ML) in safety-critic applications is having a reliable measure of confidence in the ML model's predictions. For a classifier $f$ producing a probability vector $f(x)$ over the candidate…

Machine Learning · Computer Science 2022-10-26 Gal Yona , Amir Feder , Itay Laish

Causal influence measures for machine learnt classifiers shed light on the reasons behind classification, and aid in identifying influential input features and revealing their biases. However, such analyses involve evaluating the classifier…

Machine Learning · Computer Science 2018-04-10 Shayak Sen , Piotr Mardziel , Anupam Datta , Matthew Fredrikson

Cross-validation is a common method for estimating the predictive performance of machine learning models. In a data-scarce regime, where one typically wishes to maximize the number of instances used for training the model, an approach…

Methodology · Statistics 2025-03-25 George I. Austin , Itsik Pe'er , Tal Korem

Reliable quantification of uncertainty in Mobile Laser Scanning (MLS) point clouds is essential for ensuring the accuracy and credibility of downstream applications such as 3D mapping, modeling, and change analysis. Traditional backward…

Computer Vision and Pattern Recognition · Computer Science 2025-10-30 Ziyang Xu , Olaf Wysocki , Christoph Holst

The development of cluster computing frameworks has allowed practitioners to scale out various statistical estimation and machine learning algorithms with minimal programming effort. This is especially true for machine learning problems…

Machine Learning · Statistics 2019-06-24 Robin Vogel , Aurélien Bellet , Stephan Clémençon , Ons Jelassi , Guillaume Papa

Spatial dynamic microsimulations probabilistically project geographically referenced units with individual characteristics over time. Like any projection method, their outcomes are inherently uncertain and sensitive to multiple factors.…

Computation · Statistics 2025-11-19 Morgane Dumont , Ahmed Alsaloum , Julian Ernst , Jan Weymeirsch , Ralf Münnich

Strong empirical evidence that one machine-learning algorithm A outperforms another one B ideally calls for multiple trials optimizing the learning pipeline over sources of variation such as data sampling, data augmentation, parameter…

To achieve high performance of a machine learning (ML) task, a deep learning-based model must implicitly capture the entire distribution from data. Thus, it requires a huge amount of training samples, and data are expected to fully present…

Machine Learning · Computer Science 2021-11-17 Hung Nguyen , Morris Chang

Machine learning models are becoming increasingly popular in different types of settings. This is mainly caused by their ability to achieve a level of predictive performance that is hard to match by human experts in this new era of big…

Machine Learning · Computer Science 2021-09-20 Luis Torgo , Paulo Azevedo , Ines Areosa

Probabilistic regression models the entire predictive distribution of a response variable, offering richer insights than classical point estimates and directly allowing for uncertainty quantification. While diffusion-based generative models…

Machine Learning · Computer Science 2025-10-07 Carlo Kneissl , Christopher Bülte , Philipp Scholl , Gitta Kutyniok
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