On the Efficacy of Generalization Error Prediction Scoring Functions
Generalization error predictors (GEPs) aim to predict model performance on unseen distributions by deriving dataset-level error estimates from sample-level scores. However, GEPs often utilize disparate mechanisms (e.g., regressors, thresholding functions, calibration datasets, etc), to derive such error estimates, which can obfuscate the benefits of a particular scoring function. Therefore, in this work, we rigorously study the effectiveness of popular scoring functions (confidence, local manifold smoothness, model agreement), independent of mechanism choice. We find, absent complex mechanisms, that state-of-the-art confidence- and smoothness- based scores fail to outperform simple model-agreement scores when estimating error under distribution shifts and corruptions. Furthermore, on realistic settings where the training data has been compromised (e.g., label noise, measurement noise, undersampling), we find that model-agreement scores continue to perform well and that ensemble diversity is important for improving its performance. Finally, to better understand the limitations of scoring functions, we demonstrate that simplicity bias, or the propensity of deep neural networks to rely upon simple but brittle features, can adversely affect GEP performance. Overall, our work carefully studies the effectiveness of popular scoring functions in realistic settings and helps to better understand their limitations.
Code (0)
등록된 구현이 없습니다.
Tasks
DiversityPredictionMethods 이 논문이 사용한 방법론
Similar Papers 제목 키워드 기반
Generalization Beyond Benchmarks: Evaluating Learnable Protein-Ligand Scoring Functions on Unseen Targets
As machine learning becomes increasingly central to molecular design, it is vital to ensure the reliability of learnable protein-ligand scoring functions on novel protein targets. While many scoring functions perform wel…
I Know Therefore I Score: Label-Free Crafting of Scoring Functions using Constraints Based on Domain Expertise
Several real-life applications require crafting concise, quantitative scoring functions (also called rating systems) from measured observations. For example, an effectiveness score needs to be created for advertising cam…
Predictive Value Generalization Bounds
In this paper, we study a bi-criterion framework for assessing scoring functions in the context of binary classification. The positive and negative predictive values (ppv and npv, respectively) are conditional probabilit…
Binary ClassificationGeneral ClassificationGeneralization BoundsLogical Expressivity and Explanations for Monotonic GNNs with Scoring Functions
Graph neural networks (GNNs) are often used for the task of link prediction: predicting missing binary facts in knowledge graphs (KGs). To address the lack of explainability of GNNs on KGs, recent works extract Datalog r…
Knowledge GraphsLink PredictionU-Calibration: Forecasting for an Unknown Agent
We consider the problem of evaluating forecasts of binary events whose predictions are consumed by rational agents who take an action in response to a prediction, but whose utility is unknown to the forecaster. We show t…
Allscoring rule