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The comparison of benchmark error sets is an essential tool for the evaluation of theories in computational chemistry. The standard ranking of methods by their Mean Unsigned Error is unsatisfactory for several reasons linked to the…

统计方法学 · 统计学 2020-09-29 Pascal Pernot , Andreas Savin

In the first part of this study (Paper I), we introduced the systematic improvement probability (SIP) as a tool to assess the level of improvement on absolute errors to be expected when switching between two computational chemistry methods.…

化学物理 · 物理学 2020-04-30 Pascal Pernot , Andreas Savin

The p-values are often implicitly used as a measure of evidence for the hypotheses of the tests. This practice has been analyzed with different approaches. It is generally accepted for the one-sided hypothesis problem, but it is often…

统计理论 · 数学 2007-06-13 Guy Morel

Prediction-powered inference (PPI) is a recent framework for valid statistical inference with partially labeled data, combining model-based predictions on a large unlabeled set with bias correction from a smaller labeled subset. Building on…

机器学习 · 统计学 2026-03-25 Jyotishka Datta , Nicholas G. Polson

The deployment of safe and trustworthy machine learning systems, and particularly complex black box neural networks, in real-world applications requires reliable and certified guarantees on their performance. The conformal prediction…

计算机视觉与模式识别 · 计算机科学 2024-06-14 Paul Melki , Lionel Bombrun , Boubacar Diallo , Jérôme Dias , Jean-Pierre da Costa

This short study presents an opportunistic approach to a (more) reliable validation method for prediction uncertainty average calibration. Considering that variance-based calibration metrics (ZMS, NLL, RCE...) are quite sensitive to the…

机器学习 · 统计学 2024-08-27 Pascal Pernot

Prediction-powered inference (PPI) is a method that improves statistical estimates based on limited human-labeled data. Specifically, PPI methods provide tighter confidence intervals by combining small amounts of human-labeled data with…

机器学习 · 计算机科学 2024-05-13 R. Alex Hofer , Joshua Maynez , Bhuwan Dhingra , Adam Fisch , Amir Globerson , William W. Cohen

P-values are a mainstay in statistics but are often misinterpreted. We propose a new interpretation of p-value as a meaningful plausibility, where this is to be interpreted formally within the inferential model framework. We show that, for…

统计理论 · 数学 2014-10-28 Ryan Martin , Chuanhai Liu

Data augmentation by mixing samples, such as Mixup, has widely been used typically for classification tasks. However, this strategy is not always effective due to the gap between augmented samples for training and original samples for…

机器学习 · 计算机科学 2019-06-21 Takuya Shimada , Shoichiro Yamaguchi , Kohei Hayashi , Sosuke Kobayashi

In the partially-observed outcome setting, a recent set of proposals known as "prediction-powered inference" (PPI) involve (i) applying a pre-trained machine learning model to predict the response, and then (ii) using these predictions to…

统计方法学 · 统计学 2026-02-12 Runjia Zou , Daniela Witten , Brian Williamson

Prediction-powered inference (PPI) enables valid statistical inference by combining experimental data with machine learning predictions. When a sufficient number of high-quality predictions is available, PPI results in more accurate…

机器学习 · 统计学 2025-08-18 Stefano Cortinovis , François Caron

We study inference with a small labeled sample, a large unlabeled sample, and high-quality predictions from an external model. We link prediction-powered inference with empirical likelihood by stacking supervised estimating equations based…

统计方法学 · 统计学 2025-12-19 Guanghui Wang , Mengtao Wen , Changliang Zou

We introduce the notion of p*-values (p*-variables), which generalizes p-values (p-variables) in several senses. The new notion has four natural interpretations: operational, probabilistic, Bayesian, and frequentist. A main example of a…

统计理论 · 数学 2022-02-24 Ruodu Wang

A crucial input into causal inference is the imputed counterfactual outcome. Imputation error can arise because of sampling uncertainty from estimating the prediction model using the untreated observations, or from out-of-sample information…

计量经济学 · 经济学 2024-05-20 Silvia Goncalves , Serena Ng

Machine learning models are often used to inform real world risk assessment tasks: predicting consumer default risk, predicting whether a person suffers from a serious illness, or predicting a person's risk to appear in court. Given…

机器学习 · 计算机科学 2023-06-27 Jamelle Watson-Daniels , David C. Parkes , Berk Ustun

Increased availability of data and accessibility of computational tools in recent years have created unprecedented opportunities for scientific research driven by statistical analysis. Inherent limitations of statistics impose constrains on…

基因组学 · 定量生物学 2016-09-13 Olga A. Vsevolozhskaya , Gabriel Ruiz , Dmitri V. Zaykin

I proposed (8, 1, 3) that p values should be supplemented by an estimate of the false positive risk (FPR). FPR was defined as the probability that, if you claim that there is a real effect on the basis of p value from a single unbiased…

其他统计学 · 统计学 2020-08-10 David Colquhoun

This paper proposes probabilistic conformal prediction (PCP), a predictive inference algorithm that estimates a target variable by a discontinuous predictive set. Given inputs, PCP construct the predictive set based on random samples from…

机器学习 · 统计学 2022-06-22 Zhendong Wang , Ruijiang Gao , Mingzhang Yin , Mingyuan Zhou , David M. Blei

Probability integral transforms (PITs) and empirical $p$-values are widely used to assess the calibration of predictive distributions. While exact PIT values are uniformly distributed under correct model specification, practical…

统计方法学 · 统计学 2026-05-18 Jakub Lis

Invariant prediction [Peters et al., 2016] analyzes feature/outcome data from multiple environments to identify invariant features - those with a stable predictive relationship to the outcome. Such features support generalization to new…

机器学习 · 统计学 2025-07-10 Luhuan Wu , Mingzhang Yin , Yixin Wang , John P. Cunningham , David M. Blei
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