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Should prediction models always deliver a prediction? In the pursuit of maximum predictive performance, critical considerations of reliability and fairness are often overshadowed, particularly when it comes to the role of uncertainty.…

Machine Learning · Computer Science 2024-10-29 Anna Sokol , Nuno Moniz , Nitesh Chawla

We go through the many considerations involved in fitting a model to data, using as an example the fit of a straight line to a set of points in a two-dimensional plane. Standard weighted least-squares fitting is only appropriate when there…

Instrumentation and Methods for Astrophysics · Physics 2010-08-30 David W. Hogg , Jo Bovy , Dustin Lang

Model selection requires repeatedly evaluating models on a given dataset and measuring their relative performances. In modern applications of machine learning, the models being considered are increasingly more expensive to evaluate and the…

Machine Learning · Computer Science 2020-10-21 Anant Raj , Cameron Musco , Lester Mackey , Nicolo Fusi

The repeated community-wide reuse of test sets in popular benchmark problems raises doubts about the credibility of reported test-error rates. Verifying whether a learned model is overfitted to a test set is challenging as independent test…

Machine Learning · Computer Science 2019-11-15 Roman Werpachowski , András György , Csaba Szepesvári

The model selection procedure is usually a single-criterion decision making in which we select the model that maximizes a specific metric in a specific set, such as the Validation set performance. We claim this is very naive and can perform…

Machine Learning · Computer Science 2022-07-15 Felipe Costa Farias , Teresa Bernarda Ludermir , Carmelo José Albanez Bastos-Filho

The interplay between missing data and model uncertainty -- two classic statistical problems -- leads to primary questions that we formally address from an objective Bayesian perspective. For the general regression problem, we discuss the…

With the wide adoption of machine learning techniques, requirements have evolved beyond sheer high performance, often requiring models to be trustworthy. A common approach to increase the trustworthiness of such systems is to allow them to…

Machine Learning · Computer Science 2023-11-16 Andrea Pugnana , Carlos Mougan , Dan Saattrup Nielsen

In model-based reinforcement learning, planning with an imperfect model of the environment has the potential to harm learning progress. But even when a model is imperfect, it may still contain information that is useful for planning. In…

Machine Learning · Computer Science 2021-03-09 Zaheer Abbas , Samuel Sokota , Erin J. Talvitie , Martha White

The mathematical models used to capture features of complex, biological systems are typically non-linear, meaning that there are no generally valid simple relationships between their outputs and the data that might be used to validate them.…

Quantitative Methods · Quantitative Biology 2014-04-23 Thomas House

The application of machine learning based decision making systems in safety critical areas requires reliable high certainty predictions. Reject options are a common way of ensuring a sufficiently high certainty of predictions made by the…

Artificial Intelligence · Computer Science 2022-05-17 André Artelt , Roel Visser , Barbara Hammer

When the data do not conform to the hypothesis of a known sampling-variance, the fitting of a constant to a set of measured values is a long debated problem. Given the data, fitting would require to find what measurand value is the most…

Data Analysis, Statistics and Probability · Physics 2020-07-21 Giovanni Mana , Enrico Massa , Maria Predescu

The success of large-scale models in recent years has increased the importance of statistical models with numerous parameters. Several studies have analyzed over-parameterized linear models with high-dimensional data, which may not be…

Statistics Theory · Mathematics 2025-03-14 Shogo Nakakita , Masaaki Imaizumi

Within the last few years, there has been a move towards using statistical models in conjunction with neural networks with the end goal of being able to better answer the question, "what do our models know?". From this trend, classical…

Machine Learning · Computer Science 2021-12-03 Achintya Gopal

Most machine learning techniques are based upon statistical learning theory, often simplified for the sake of computing speed. This paper is focused on the uncertainty aspect of mathematical modeling in machine learning. Regression analysis…

Machine Learning · Computer Science 2022-06-07 Valentin Arkov

Selective classification allows models to abstain from making predictions (e.g., say "I don't know") when in doubt in order to obtain better effective accuracy. While typical selective models can be effective at producing more accurate…

Machine Learning · Computer Science 2024-06-24 Adam Fisch , Tommi Jaakkola , Regina Barzilay

Bayesian model comparison is often based on the posterior distribution over the set of compared models. This distribution is often observed to concentrate on a single model even when other measures of model fit or forecasting ability…

Statistics Theory · Mathematics 2020-03-10 Oscar Oelrich , Shutong Ding , Måns Magnusson , Aki Vehtari , Mattias Villani

In the era of big data, analysts usually explore various statistical models or machine learning methods for observed data in order to facilitate scientific discoveries or gain predictive power. Whatever data and fitting procedures are…

Machine Learning · Statistics 2018-10-24 Jie Ding , Vahid Tarokh , Yuhong Yang

Many applications of machine learning methods involve an iterative protocol in which data are collected, a model is trained, and then outputs of that model are used to choose what data to consider next. For example, one data-driven approach…

Machine Learning · Computer Science 2025-04-07 Clara Fannjiang , Stephen Bates , Anastasios N. Angelopoulos , Jennifer Listgarten , Michael I. Jordan

Overfitting in linear regression is broken down into two main causes. First, the formula for the estimator includes 'forbidden knowledge' about training observations' residuals, and it loses this advantage when deployed out-of-sample.…

Methodology · Statistics 2022-09-27 Chris Rohlfs

Predictive uncertainty estimation of pre-trained language models is an important measure of how likely people can trust their predictions. However, little is known about what makes a model prediction uncertain. Explaining predictive…

Computation and Language · Computer Science 2022-10-11 Hanjie Chen , Wanyu Du , Yangfeng Ji