Cross Validation
Cross-validation Confidence Intervals for Test Error
This work develops central limit theorems for cross-validation and consistent estimators of the asymptotic variance under weak stability conditions on the learning algorithm. Together, these results provide practical, asymptotically-exact confidence intervals for k-fold test error and valid, powerful hypothesis tests of whether one learning algorithm has smaller k-fold test error than another. These results are also the first of their kind for the popular choice of leave-one-out cross-validation. In our experiments with diverse learning algorithms, the resulting intervals and tests outperform the most popular alternative methods from the literature.
SOAK: Same/Other/All K-fold cross-validation for estimating similarity of patterns in data subsets
Hocking, Toby Dylan, Thibault, Gabrielle, Bodine, Cameron Scott, Arellano, Paul Nelson, Shenkin, Alexander F, Lindly, Olivia Jasmine
In many real-world applications of machine learning, we are interested to know if it is possible to train on the data that we have gathered so far, and obtain accurate predictions on a new test data subset that is qualitatively different in some respect (time period, geographic region, etc). Another question is whether data subsets are similar enough so that it is beneficial to combine subsets during model training. We propose SOAK, Same/Other/All K-fold cross-validation, a new method which can be used to answer both questions. SOAK systematically compares models which are trained on different subsets of data, and then used for prediction on a fixed test subset, to estimate the similarity of learnable/predictable patterns in data subsets. We show results of using SOAK on six new real data sets (with geographic/temporal subsets, to check if predictions are accurate on new subsets), 3 image pair data sets (subsets are different image types, to check that we get smaller prediction error on similar images), and 11 benchmark data sets with predefined train/test splits (to check similarity of predefined splits).
Approximate Cross-Validation with Low-Rank Data in High Dimensions
Many recent advances in machine learning are driven by a challenging trifecta: large data size N, high dimensions, and expensive algorithms. In this setting, cross-validation (CV) serves as an important tool for model assessment. Recent advances in approximate cross validation (ACV) provide accurate approximations to CV with only a single model fit, avoiding traditional CV's requirement for repeated runs of expensive algorithms. Unfortunately, these ACV methods can lose both speed and accuracy in high dimensions --- unless sparsity structure is present in the data. Fortunately, there is an alternative type of simplifying structure that is present in most data: approximate low rank (ALR).
Approximate Cross-Validation for Structured Models
Many modern data analyses benefit from explicitly modeling dependence structure in data -- such as measurements across time or space, ordered words in a sentence, or genes in a genome. A gold standard evaluation technique is structured cross-validation (CV), which leaves out some data subset (such as data within a time interval or data in a geographic region) in each fold. But CV here can be prohibitively slow due to the need to re-run already-expensive learning algorithms many times. Previous work has shown approximate cross-validation (ACV) methods provide a fast and provably accurate alternative in the setting of empirical risk minimization. But this existing ACV work is restricted to simpler models by the assumptions that (i) data across CV folds are independent and (ii) an exact initial model fit is available. In structured data analyses, both these assumptions are often untrue.
Enhanced Multi-Robot SLAM System with Cross-Validation Matching and Exponential Threshold Keyframe Selection
He, Ang, Wu, Xi-mei, Guo, Xiao-bin, Liu, Li-bin
The evolving field of mobile robotics has indeed increased the demand for simultaneous localization and mapping (SLAM) systems. To augment the localization accuracy and mapping efficacy of SLAM, we refined the core module of the SLAM system. Within the feature matching phase, we introduced cross-validation matching to filter out mismatches. In the keyframe selection strategy, an exponential threshold function is constructed to quantify the keyframe selection process. Compared with a single robot, the multi-robot collaborative SLAM (CSLAM) system substantially improves task execution efficiency and robustness. By employing a centralized structure, we formulate a multi-robot SLAM system and design a coarse-to-fine matching approach for multi-map point cloud registration. Our system, built upon ORB-SLAM3, underwent extensive evaluation utilizing the TUM RGB-D, EuRoC MAV, and TUM_VI datasets. The experimental results demonstrate a significant improvement in the positioning accuracy and mapping quality of our enhanced algorithm compared to those of ORB-SLAM3, with a 12.90% reduction in the absolute trajectory error.
Risk and cross validation in ridge regression with correlated samples
Atanasov, Alexander, Zavatone-Veth, Jacob A., Pehlevan, Cengiz
Recent years have seen substantial advances in our understanding of high-dimensional ridge regression, but existing theories assume that training examples are independent. By leveraging recent techniques from random matrix theory and free probability, we provide sharp asymptotics for the in- and out-of-sample risks of ridge regression when the data points have arbitrary correlations. We demonstrate that in this setting, the generalized cross validation estimator (GCV) fails to correctly predict the out-of-sample risk. However, in the case where the noise residuals have the same correlations as the data points, one can modify the GCV to yield an efficiently-computable unbiased estimator that concentrates in the high-dimensional limit, which we dub CorrGCV. We further extend our asymptotic analysis to the case where the test point has nontrivial correlations with the training set, a setting often encountered in time series forecasting. Assuming knowledge of the correlation structure of the time series, this again yields an extension of the GCV estimator, and sharply characterizes the degree to which such test points yield an overly optimistic prediction of long-time risk. We validate the predictions of our theory across a variety of high dimensional data.
Predictive Performance Test based on the Exhaustive Nested Cross-Validation for High-dimensional data
Gauran, Iris Ivy, Ombao, Hernando, Yu, Zhaoxia
It is crucial to assess the predictive performance of a model in order to establish its practicality and relevance in real-world scenarios, particularly for high-dimensional data analysis. Among data splitting or resampling methods, cross-validation (CV) is extensively used for several tasks such as estimating the prediction error, tuning the regularization parameter, and selecting the most suitable predictive model among competing alternatives. The K-fold cross-validation is a popular CV method but its limitation is that the risk estimates are highly dependent on the partitioning of the data (for training and testing). Here, the issues regarding the reproducibility of the K-fold CV estimator is demonstrated in hypothesis testing wherein different partitions lead to notably disparate conclusions. This study presents an alternative novel predictive performance test and valid confidence intervals based on exhaustive nested cross-validation for determining the difference in prediction error between two model-fitting algorithms. A naive implementation of the exhaustive nested cross-validation is computationally costly. Here, we address concerns regarding computational complexity by devising a computationally tractable closed-form expression for the proposed cross-validation estimator using ridge regularization. Our study also investigates strategies aimed at enhancing statistical power within high-dimensional scenarios while controlling the Type I error rate. To illustrate the practical utility of our method, we apply it to an RNA sequencing study and demonstrate its effectiveness in the context of biological data analysis.
Multifidelity Cross-validation
Renganathan, S. Ashwin, Carlson, Kade
Emulating the mapping between quantities of interest and their control parameters using surrogate models finds widespread application in engineering design, including in numerical optimization and uncertainty quantification. Gaussian process models can serve as a probabilistic surrogate model of unknown functions, thereby making them highly suitable for engineering design and decision-making in the presence of uncertainty. In this work, we are interested in emulating quantities of interest observed from models of a system at multiple fidelities, which trade accuracy for computational efficiency. Using multifidelity Gaussian process models, to efficiently fuse models at multiple fidelities, we propose a novel method to actively learn the surrogate model via leave-one-out cross-validation (LOO-CV). Our proposed multifidelity cross-validation (\texttt{MFCV}) approach develops an adaptive approach to reduce the LOO-CV error at the target (highest) fidelity, by learning the correlations between the LOO-CV at all fidelities. \texttt{MFCV} develops a two-step lookahead policy to select optimal input-fidelity pairs, both in sequence and in batches, both for continuous and discrete fidelity spaces. We demonstrate the utility of our method on several synthetic test problems as well as on the thermal stress analysis of a gas turbine blade.
ROTI-GCV: Generalized Cross-Validation for right-ROTationally Invariant Data
Luo, Kevin, Li, Yufan, Sur, Pragya
Two key tasks in high-dimensional regularized regression are tuning the regularization strength for good predictions and estimating the out-of-sample risk. It is known that the standard approach -- $k$-fold cross-validation -- is inconsistent in modern high-dimensional settings. While leave-one-out and generalized cross-validation remain consistent in some high-dimensional cases, they become inconsistent when samples are dependent or contain heavy-tailed covariates. To model structured sample dependence and heavy tails, we use right-rotationally invariant covariate distributions - a crucial concept from compressed sensing. In the common modern proportional asymptotics regime where the number of features and samples grow comparably, we introduce a new framework, ROTI-GCV, for reliably performing cross-validation. Along the way, we propose new estimators for the signal-to-noise ratio and noise variance under these challenging conditions. We conduct extensive experiments that demonstrate the power of our approach and its superiority over existing methods.
A Comparative Study of Sampling Methods with Cross-Validation in the FedHome Framework
Ahmadi, Arash, Sharif, Sarah S., Banad, Yaser M.
This paper presents a comparative study of sampling methods within the FedHome framework, designed for personalized in-home health monitoring. FedHome leverages federated learning (FL) and generative convolutional autoencoders (GCAE) to train models on decentralized edge devices while prioritizing data privacy. A notable challenge in this domain is the class imbalance in health data, where critical events such as falls are underrepresented, adversely affecting model performance. To address this, the research evaluates six oversampling techniques using Stratified K-fold cross-validation: SMOTE, Borderline-SMOTE, Random OverSampler, SMOTE-Tomek, SVM-SMOTE, and SMOTE-ENN. These methods are tested on FedHome's public implementation over 200 training rounds with and without stratified K-fold cross-validation. The findings indicate that SMOTE-ENN achieves the most consistent test accuracy, with a standard deviation range of 0.0167-0.0176, demonstrating stable performance compared to other samplers. In contrast, SMOTE and SVM-SMOTE exhibit higher variability in performance, as reflected by their wider standard deviation ranges of 0.0157-0.0180 and 0.0155-0.0180, respectively. Similarly, the Random OverSampler method shows a significant deviation range of 0.0155-0.0176. SMOTE-Tomek, with a deviation range of 0.0160-0.0175, also shows greater stability but not as much as SMOTE-ENN. This finding highlights the potential of SMOTE-ENN to enhance the reliability and accuracy of personalized health monitoring systems within the FedHome framework.