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We study model evaluation and model selection from the perspective of generalization ability (GA): the ability of a model to predict outcomes in new samples from the same population. We believe that GA is one way formally to address…

Machine Learning · Statistics 2016-10-19 Ning Xu , Jian Hong , Timothy C. G. Fisher

When fitting generalized linear mixed models (GLMMs), one important decision to make relates to the choice of the random effects distribution. As the random effects are unobserved, misspecification of this distribution is a real…

Methodology · Statistics 2024-12-02 Quan Vu , Francis K. C. Hui , Samuel Muller , A. H. Welsh

Research on generalization bounds for deep networks seeks to give ways to predict test error using just the training dataset and the network parameters. While generalization bounds can give many insights about architecture design, training…

Machine Learning · Computer Science 2022-03-21 Yi Zhang , Arushi Gupta , Nikunj Saunshi , Sanjeev Arora

A key component of automated algorithm selection and configuration, which in most cases are performed using supervised machine learning (ML) methods is a good-performing predictive model. The predictive model uses the feature representation…

Benchmarking studies in computational chemistry use reference datasets to assess the accuracy of a method through error statistics. The commonly used error statistics, such as the mean signed and mean unsigned errors, do not inform…

Chemical Physics · Physics 2018-03-19 Pascal Pernot , Andreas Savin

Gaussian processes (GPs) are a class of Kernel methods that have shown to be very useful in geoscience and remote sensing applications for parameter retrieval, model inversion, and emulation. They are widely used because they are simple,…

Machine Learning · Computer Science 2020-05-21 J. Emmanuel Johnson , Valero Laparra , Gustau Camps-Valls

Several recent works find empirically that the average test error of deep neural networks can be estimated via the prediction disagreement of models, which does not require labels. In particular, Jiang et al. (2022) show for the…

Machine Learning · Computer Science 2022-11-08 Andreas Kirsch , Yarin Gal

In prediction problems, it is common to model the data-generating process and then use a model-based procedure, such as a Bayesian predictive distribution, to quantify uncertainty about the next observation. However, if the posited model is…

Methodology · Statistics 2021-07-06 Pei-Shien Wu , Ryan Martin

Scientists frequently generalize population level causal quantities such as average treatment effect from a source population to a target population. When the causal effects are heterogeneous, differences in subject characteristics between…

Methodology · Statistics 2023-06-16 Rui Chen , Guanhua Chen , Menggang Yu

Forecasts support decision making in a variety of applications. Statistical models can produce accurate forecasts given abundant training data, but when data is sparse, rapidly changing, or unavailable, statistical models may not be able to…

Applications · Statistics 2020-05-19 Thomas McAndrew , Nutcha Wattanachit , G. Casey Gibson , Nicholas G. Reich

The most important part of model selection and hyperparameter tuning is the evaluation of model performance. The most popular measures, such as AUC, F1, ACC for binary classification, or RMSE, MAD for regression, or cross-entropy for…

Machine Learning · Computer Science 2019-08-27 Alicja Gosiewska , Mateusz Bakala , Katarzyna Woznica , Maciej Zwolinski , Przemyslaw Biecek

The conventional Minimum Error Entropy criterion (MEE) has its limitations, showing reduced sensitivity to error mean values and uncertainty regarding error probability density function locations. To overcome this, a MEE with fiducial…

Signal Processing · Electrical Eng. & Systems 2023-09-12 Haiquan Zhao , Yuan Gao , Yingying Zhu

We revisit the classical problem of comparing regression functions, a fundamental question in statistical inference with broad relevance to modern applications such as data integration, transfer learning, and causal inference. Existing…

Methodology · Statistics 2025-10-29 Jian Yan , Zhuoxi Li , Yang Ning , Yong Chen

Gaussian Processes (GPs) are a generic modelling tool for supervised learning. While they have been successfully applied on large datasets, their use in safety-critical applications is hindered by the lack of good performance guarantees. To…

Machine Learning · Statistics 2019-08-27 David Reeb , Andreas Doerr , Sebastian Gerwinn , Barbara Rakitsch

Random feature methods have been successful in various machine learning tasks, are easy to compute, and come with theoretical accuracy bounds. They serve as an alternative approach to standard neural networks since they can represent…

Machine Learning · Statistics 2026-01-21 Abolfazl Hashemi , Hayden Schaeffer , Robert Shi , Ufuk Topcu , Giang Tran , Rachel Ward

Gaussian processes (GPs) provide a probabilistic nonparametric representation of functions in regression, classification, and other problems. Unfortunately, exact learning with GPs is intractable for large datasets. A variety of approximate…

Machine Learning · Computer Science 2012-03-19 Yuan , Qi , Ahmed H. Abdel-Gawad , Thomas P. Minka

Ensembling is a simple and popular technique for boosting evaluation performance by training multiple models (e.g., with different initializations) and aggregating their predictions. This approach is commonly reserved for the largest…

Machine Learning · Computer Science 2020-05-05 Dan Kondratyuk , Mingxing Tan , Matthew Brown , Boqing Gong

Distributed learning facilitates the scaling-up of data processing by distributing the computational burden over several nodes. Despite the vast interest in distributed learning, generalization performance of such approaches is not well…

Machine Learning · Statistics 2020-05-05 Martin Hellkvist , Ayça Özçelikkale , Anders Ahlén

As machine learning becomes more and more available to the general public, theoretical questions are turning into pressing practical issues. Possibly, one of the most relevant concerns is the assessment of our confidence in trusting machine…

Machine Learning · Computer Science 2020-06-30 Pietro Barbiero , Giovanni Squillero , Alberto Tonda

Influence functions (IFs) elucidate how training data changes model behavior. However, the increasing size and non-convexity in large-scale models make IFs inaccurate. We suspect that the fragility comes from the first-order approximation…

Machine Learning · Computer Science 2024-05-07 Hyeonsu Lyu , Jonggyu Jang , Sehyun Ryu , Hyun Jong Yang