The paper offers guidelines for validating data-driven models.
problem Ensuring reliable validation of data-driven models.
method A set of general rules for model validation.
result Helps practitioners create reliable validation plans and report results transparently.
We compare and contrast two approaches to validating a trained classifier while using all in-sample data for training. One is simultaneous validation over an organized set of hypotheses (SVOOSH), the well-known method that began with VC theory. The other is withhold and gap (WAG). WAG withholds a validation set, trains…
Combines trial and observational data to improve policy evaluation.
problem External validity of randomized trial results in target populations.
method Uses covariate data to model trial sampling and certifies policy evaluations.
result Valid trial-based policy evaluations under model miscalibration.
Active learning method improves local model validity estimation.
problem Ensuring local model validity in machine learning applications.
method Learning model error to estimate local validity using active learning.
result The proposed method can estimate local validity with a small amount of data.
This paper tackles deep clustering evaluation challenges in high-dimensional data.
problem Evaluation of deep clustering methods is problematic due to the curse of dimensionality and variations in embedding spaces.
method Develops a theoretical framework to highlight the ineffectiveness of internal validation measures and proposes a systematic approach to applying clustering validity indices in deep learning.
result The proposed framework reduces misguidance from improper use of clustering validity indices in deep learning.
Model selection on validation data is an essential step in machine learning. While the mixing of data between training and validation is considered taboo, practitioners often violate it to increase performance. Here, we offer a simple, practical method for using the validation set for training, which allows for a conti…
Study evaluates cross-validation methods for clinical ECG classification, finding leave-source-out more reliable.
problem Overoptimistic cross-validation estimates for new patient sources.
method Empirical evaluation of K-fold and leave-source-out cross-validation methods.
result Leave-source-out cross-validation provides more reliable performance estimates.
A new method improves super learner validation efficiency.
problem Improving the efficiency of super learner validation.
method Bootstrap Bias Corrected Cross Validation applied to Super Learning.
result Bootstrap Bias Corrected Cross Validation proved efficient and cost-effective.
Cross-validation estimates model performance on unseen data, not training data.
problem Understanding how cross-validation estimates prediction error and its limitations.
method Analyzing linear models and popular prediction error estimates, introducing nested cross-validation.
result Cross-validation estimates the average prediction error of models fit on other unseen training sets, not the model at hand.
New IF method improves accuracy in deep neural networks with noisy data.
problem Inaccurate influence estimates in deep neural networks, especially with noisy data.
method Established a connection between influence estimation error, validation set risk, and sharpness, introducing a novel estimation form for flat validation minima.
result Our novel Influence Function approach provides more accurate influence estimates, validated across various tasks.
Cross validation residuals are well known for the ordinary least squares model. Here leave-M-out cross validation is extended to generalised least squares. The relationship between cross validation residuals and Cook's distance is demonstrated, in terms of an approximation to the difference in the generalised residual …
Cross-regularization adapts model complexity during training.
problem Manual tuning of model complexity for overfitting prevention.
method Directly adapts regularization parameters through validation gradients during training.
result Organic emergence of architecture-specific regularization during training.
Adapts conformal prediction for missing data, ensuring valid coverage.
problem Uncertainty quantification with missing covariates.
method Proposes a reweighted conformal prediction procedure for handling missing values.
result Guaranteed Marginal Coverage and Mask-Conditional Validity for general missing data mechanisms.
Causal ML methods failed to validate their personalized treatment effects in two large trials.
problem Validating causal machine learning methods for personalized treatment effects in precision medicine.
method Assessed 17 mainstream causal heterogeneity ML methods using two large randomized controlled trials.
result None of the ML methods reliably validated their performance, internal or external, showing significant discrepancies between training and test data.
New method uses weak labels to create valid confidence sets for predictions.
problem Lack of labeled data in machine learning models.
method Developed a conformal prediction framework to provide valid predictive confidence sets using weakly labeled data.
result New coverage definition allows for tighter and more informative (but valid) confidence sets.
TBAL reduces manual annotation but requires validated data.
problem Creating large, high-quality labeled datasets.
method Threshold-based auto-labeling using human validation data.
result Sample complexity bounds on validation data needed.
New method improves spatial prediction validation accuracy.
problem Validation methods fail for spatial prediction tasks due to mismatch between validation and test locations.
method Proposes a new validation method that adapts existing covariate-shift ideas to spatial settings.
result Proves and demonstrates the new method's superiority in spatial prediction validation.
We introduce an exploratory study on Mutation Validation (MV), a model validation method using mutated training labels for supervised learning. MV mutates training data labels, retrains the model against the mutated data, then uses the metamorphic relation that captures the consequent training performance changes to as…
A new method controls risk for set predictors using cross-validation.
problem Inefficient set predictors when data limited.
method Cross-validation conformal risk control (CV-CRC).
result CV-CRC offers theoretical guarantees and reduces set size.
CPTD improves prediction intervals in time series regression with cross-sectional data.
problem Constructing valid prediction intervals in time series regression with a cross-section.
method Conformal Prediction with Temporal Dependence (CPTD) for post-hoc, light-weight approach.
result CPTD maintains cross-sectional validity while improving longitudinal coverage.
This paper identifies a problem with the usual procedure for L2-regularization parameter estimation in a domain adaptation setting. In such a setting, there are differences between the distributions generating the training data (source domain) and the test data (target domain). The usual cross-validation procedure requ…
Cross-validation methods help learn dynamical systems from data.
problem Learning surrogate models for dynamical systems from limited data.
method Variants of cross-validation (Kernel Flows, MMD, Lyapunov exponents).
result Simple approaches for kernel selection in dynamical system emulators.
reval package selects best clustering solutions via stability-based validation.
problem Challenges in determining best clustering solutions due to lack of validation methods.
method Stability-based relative clustering validation methods.
result Determines best clustering solutions that generalize to unseen data.
New method combines experimental and observational data for causal inference.
problem Combining internal validity of experiments and larger sample sizes of observations.
method Empirical risk minimization (ERM) framework with cross-validation.
result Efficacy and reliability demonstrated on real and synthetic data.
Optimizes Lasso hyperparameters using leave-one-out CV.
problem Finding optimal hyperparameters for Lasso regression.
method Develops an algorithm to compute exact or approximate leave-one-out CV.
result Algorithm finds optimal hyperparameters for Lasso.
Study improves predictive performance testing for high-dimensional data using exhaustive nested cross-validation.
problem Reproducibility issues in K-fold cross-validation for high-dimensional data. method Proposes a novel predictive performance test based on exhaustive nested cross-validation, addressing computational complexity with a closed-form expression.
result Demonstrates the effectiveness of Ridge-based methods in high-dimensional predictive performance testing.
A new method validates generative models in high-dimensional data.
problem Scalability and interpretability issues in validating generative models.
method Learning-based goodness-of-fit testing inspired by Neyman--Pearson construction.
result The NPLM can effectively validate generative models in high-dimensional data.
HD-BWDM improves clustering validation in high-dimensional data.
problem Determining the right number of clusters in high-dimensional data.
method HD-BWDM integrates random projection, PCA, trimmed clustering, and medoid-based distances.
result HD-BWDM remains stable and interpretable under high-dimensional projections and contamination.
A new validation scheme improves Federated Learning performance.
problem Learning a joint model from distributed, heterogeneous data.
method DVW scheme that uses distributed validation sets.
result DVW outperforms FedAvg in heterogeneous environments.
Researchers validate ML scenario generators by checking dependencies and detecting memorization effects.
problem Validation of machine learning-based scenario generators differs from classical methods due to data-driven dependencies.
method Two novel validation aspects: checking dependencies and detecting memorization effects. Novel memorization ratio introduced.
result Validation methods successfully detect dependencies and memorization effects in ML-based scenario generators.
Data thinning splits observations into independent parts for convolution-closed distributions.
problem Validation of unsupervised learning results in settings with limited data.
method Data thinning, splitting observations into independent parts following the same distribution.
result Data thinning provides an attractive alternative to cross-validation in settings with limited sample splitting.
A new method selects training samples for fine-tuning using validation set inference.
problem Selecting training examples for fine-tuning with limited target data.
method Invert train-validation roles; select samples affecting most predictions.
result Our method achieves lower test log-loss than state-of-the-art approaches.
The paper validates a centrality measure for financial networks during financial distress.
problem Systemic risk and shock propagation in financial networks.
method Statistical validation method for network centrality measures.
result The proposed centrality measure increases significantly during financial distress.
This paper addresses external validity bias in causal inference.
problem Estimating causal effects in a target population.
method Synthesis of approaches for generalizability and transportability, including tests for heterogeneity of treatment effects and differences between study and target populations.
result Framework for addressing external validity bias in causal inference.
Posterior SBC validates inference conditionally on observed data.
problem Validating inference for specific observed data.
method Simulation-based calibration checking (SBC) adapted to use posterior parameters.
result Validates inference conditionally on observed data.
A fast bootstrap method estimates cross-validation standard error.
problem Uncertainty quantification in cross-validation estimates.
method Random-effects model to estimate variance component.
result Valid confidence intervals for model performance.
Validates conformal prediction for network data under non-uniform sampling.
problem Validity of conformal prediction for network data under non-representative sampling.
method Interprets sampling mechanisms as selection rules, studies validity conditional on selection events, uses permutation invariance and joint exchangeability.
result Finite-sample validity of conformal prediction for certain selection events and asymptotic validity for random walk sampling.
New estimator improves statistical validity of synthetic data integration.
problem Combining synthetic data generated by large language models with real data for valid inference.
method Generalized method of moments estimator with theoretical guarantees.
result Improves estimates of target parameter through interactions between synthetic and real data.
Simplifies machine learning validation using kNN and conditional probability algorithms.
problem Validating machine learning models in practical applications.
method Reformulated regression and classification problems using kNN and conditional probability algorithms.
result Online capability and reduced memory usage compared to kNN.
Develops a new cluster validity index to find multiple optimal cluster numbers.
problem Finding the optimal number of clusters in real-world data with varying densities, sizes, and shapes.
method A new correlation-based cluster validity index that yields multiple local peaks.
result The new index finds multiple optimal cluster numbers in various scenarios.
Paper validates ABM using stylized financial facts.
problem Validate ABM-generated financial data against real-world data.
method Compare ABM results with stylized financial facts.
result Model successfully replicates stylized financial facts.
Valid inference from data and predictions.
problem Valid statistical inference with machine learning predictions.
method Framework for valid inference using machine learning predictions.
result Valid confidence intervals without assumptions on predictions.
Confounding bias, missing data, and selection bias are three common obstacles to valid causal inference in the data sciences. Covariate adjustment is the most pervasive technique for recovering casual effects from confounding bias. In this paper, we introduce a covariate adjustment formulation for controlling confoundi…
Enhances clustering quality evaluation in noisy data.
problem Reliable clustering quality assessment in noisy Gaussian mixtures.
method Feature Importance Rescaling (FIR) method.
result FIR improves correlation between cluster validity indices and ground truth.
Proposes a new cross-validation method to estimate model performance.
problem The standard cross-validation method does not accurately estimate the performance of the recommended model.
method Develops a new random-effects model framework to improve naive cross-validation estimators.
result Proposed estimators outperform conventional and naive methods in estimating model performance.
The paper validates statistical models for groundwater data.
problem Validating statistical models for groundwater data.
method Traditional time-series models and modern neural networks.
result Validation techniques ensure lower computational cost and robust predictions.
Researchers validate LMF order-splitting theory using public JSE data.
problem Lack of reproducibility and cross-market validation of LMF theory due to proprietary data.
method Synthetic metaorder reconstruction using publicly available JSE data.
result LMF theory validated using JSE data for 100 largest stocks.
With the increasing size of today's data sets, finding the right parameter configuration in model selection via cross-validation can be an extremely time-consuming task. In this paper we propose an improved cross-validation procedure which uses nonparametric testing coupled with sequential analysis to determine the bes…