Deep learning uses ROC cost functions to improve virtual screening accuracy.
problem Challenges in training deep learning models for virtual screening, especially class imbalance and lack of ground truth labels.
method Proposes using ROC cost functions to optimize deep learning models for virtual screening, introduces new training schemes and cost functions.
result Demonstrates improved performance of ROC-based approaches on PubChem datasets.
Geometric analysis of ROC and PR curves for binary classification.
problem Understanding classifier behavior and selection of optimal operating points.
method Geometric perspective on ROC and PR curves, focusing on the composition function G. result Many binary classification metrics are functions of G=Fp∘Fn−1, facilitating better classifier optimization. Many problems that appear in biomedical decision making, such as diagnosing disease and predicting response to treatment, can be expressed as binary classification problems. The costs of false positives and false negatives vary across application domains and receiver operating characteristic (ROC) curves provide a visu…
A scalable ROC-SVM variant reduces training time for imbalanced binary classification.
problem High computational cost of ROC-SVM for imbalanced binary classification.
method Incomplete U-statistics and low-rank kernel approximation.
result Comparable AUC performance with reduced training time.
Improves ROC/AUC for multi-class classification.
problem Lack of sensible plots, sensitivity to imbalanced data, inability to specify mis-classification cost, and lack of evaluation uncertainty quantification.
method Factorizes multi-class ROC into a one-dimensional vector representation for visualization and summary.
result Provides a binary AUC-equivalent summary and mis-classification weights specification.
The study improves the assessment of fairness in face recognition using ROC curves and statistical guarantees.
problem Improving the assessment of fairness in face recognition systems.
method Proves asymptotic guarantees for empirical ROC curves and fairness metrics, and introduces a recentering technique to avoid bootstrap pitfalls.
result Demonstrates the practical relevance of the methods for assessing fairness in face recognition systems.
The paper tackles fairness in scoring functions for binary classification.
problem Fairness in scoring functions for binary classification tasks.
method Introduces ROC-based fairness constraints and learning algorithms.
result Generalization bounds and practical learning algorithms for fair scoring functions.
Training classification models on imbalanced data tends to result in bias towards the majority class. In this paper, we demonstrate how variable discretization and cost-sensitive logistic regression help mitigate this bias on an imbalanced credit scoring dataset, and further show the application of the variable discret…
New optimization method improves AUC for binary classification and changepoint detection.
problem Non-convex AUC and sub-optimal points in ROC curves.
method AUM (Area Under Min(FP, FN)) surrogate loss function based on sorting and summing ROC curve points.
result AUM minimization learning algorithm improves AUC and speeds up compared to previous methods.
Most binary classifiers work by processing the input to produce a scalar response and comparing it to a threshold value. The various measures of classifier performance assume, explicitly or implicitly, probability distributions Ps and Pn of the response belonging to either class, probability distributions for the…
Modified AUC improves CNN training by considering model confidence.
problem Improving binary classifier performance metrics.
method Proposes a modified AUC metric that incorporates model confidence into BCE loss for CNN training.
result Demonstrates improved performance on three datasets: MNIST, prostate MRI, and brain MRI.
CP-ROC bands improve graph classification accuracy and uncertainty quantification.
problem Uncertainty quantification and robustness to distributional shifts in graph classification.
method Conditional Prediction ROC (CP-ROC) bands for graph classification, developed for TGNNs and adaptable to GNNs.
result Statistically guaranteed coverage for CP-ROC under local exchangeability condition, improving prediction reliability.
Rapid overlay of chemical structures (ROCS) is a standard tool for the calculation of 3D shape and chemical ("color") similarity. ROCS uses unweighted sums to combine many aspects of similarity, yielding parameter-free models for virtual screening. In this report, we decompose the ROCS color force field into "color com…
Neural network models improve ROC curve evaluation of biomarkers, focusing on age's role in physical activity-mortality association.
problem Improving biomarker evaluation using machine learning for complex relationships.
method Proposes neural network-based covariate-adjusted ROC modeling.
result Age has distinct effects on mortality outcomes when physical activity is measured as total activity time.
New ROC tools assess predictive abilities for any linearly ordered outcomes.
problem Fundamental restriction in ROC analysis for non-dichotomous outcomes.
method ROC movies and UROC curves for linearly ordered outcomes.
result CPA equals AUC for binary outcomes and relates to Spearman's coefficient for pairwise distinct outcomes.
Random forest model predicts sewer pipe deterioration with high accuracy.
problem Challenges in predicting and scheduling sewer pipe inspections.
method Random forest classification model for sewer pipe condition prediction.
result Model achieved excellent AUC of 0.81 in a case study for City of LA.
Novel method for multiclass ROC curves using multidimensional Gini index.
problem Multiclass performance evaluation, especially for imbalanced datasets.
method Extends ROC curve methodology to multiclass settings using multidimensional Gini index.
result Validated through case studies in health care and finance.
New method tests independence using ROC analysis and bipartite ranking.
problem Testing independence of two random variables with unknown marginals.
method Nonparametric framework based on ROC analysis and bipartite ranking.
result The method detects small departures from independence in high dimensions.
Receiver operating characteristic (ROC) analysis is widely used for evaluating diagnostic systems. Recent studies have shown that estimating an area under ROC curve (AUC) with standard cross-validation methods suffers from a large bias. The leave-pair-out (LPO) cross-validation has been shown to correct this bias. Howe…
The fuzzy ROC extends Receiver Operating Curve (ROC) visualization to the situation where some data points, falling in an indeterminacy region, are not classified. It addresses two challenges: definition of sensitivity and specificity bounds under indeterminacy; and visual summarization of the large number of possibili…
Evaluation often aims to reduce the correctness or error characteristics of a system down to a single number, but that always involves trade-offs. Another way of dealing with this is to quote two numbers, such as Recall and Precision, or Sensitivity and Specificity. But it can also be useful to see more than this, and …
The Receiver Operating Characteristic (ROC) curve is a representation of the statistical information discovered in binary classification problems and is a key concept in machine learning and data science. This paper studies the statistical properties of ROC curves and its implication on model selection. We analyze the …
A new procedure for learning cost-sensitive SVM(CS-SVM) classifiers is proposed. The SVM hinge loss is extended to the cost sensitive setting, and the CS-SVM is derived as the minimizer of the associated risk. The extension of the hinge loss draws on recent connections between risk minimization and probability elicitat…
Develops a new method for statistical optimal allocation problems.
problem Statistical optimal allocation problems with constraints.
method Functional differentiability approach and Hadamard differentiability of value functions.
result Validates margin assumption for fast convergence rate of plug-in methods.
We unify f-divergences, Bregman divergences, surrogate loss bounds (regret bounds), proper scoring rules, matching losses, cost curves, ROC-curves and information. We do this by systematically studying integral and variational representations of these objects and in so doing identify their primitives which all are rela…
Paper estimates optimal ROC curve arc length and AUC, improving classification performance.
problem Estimating optimal ROC curve arc length and AUC in imbalanced binary classification.
method Expresses arc length and AUC as variational objectives, estimating using positive and negative samples.
result Proposed classification procedure maximizes an approximate lower bound of maximal AUC.
ABROCA assesses algorithmic bias, revealing skewed distributions that inflate results.
problem Detecting nuanced performance differences in classifier fairness.
method Study of ABROCA metric's statistical properties under various conditions.
result ABROCA distributions are skewed, inflating results by chance in imbalanced classes.
In decentralized networks (of sensors, connected objects, etc.), there is an important need for efficient algorithms to optimize a global cost function, for instance to learn a global model from the local data collected by each computing unit. In this paper, we address the problem of decentralized minimization of pairw…
Proposes MCC-F1 curve for better binary classification evaluation.
problem Misleading performance evaluations with ROC and PR curves for imbalanced data.
method Introduces MCC-F1 curve combining MCC and F1 score.
result MCC-F1 curve provides clearer classifier differentiation.
AUC (area under ROC curve) is an important evaluation criterion, which has been popularly used in many learning tasks such as class-imbalance learning, cost-sensitive learning, learning to rank, etc. Many learning approaches try to optimize AUC, while owing to the non-convexity and discontinuousness of AUC, almost all …
New algorithm optimizes AUC in binary classification and changepoint detection.
problem Difficult to optimize AUC in binary classification and changepoint detection.
method Proposes efficient path-following algorithms for choosing optimal learning rate.
result Proposed line search algorithm computes complete AUM/AUC representation.
Paper proposes a new algorithm to minimize AUC disparities in machine learning models.
problem Minimizing unfairness in AUC scores for machine learning models.
method Proposes a minimax learning and bias mitigation framework for AUC optimization.
result Proves the convergence of the proposed algorithm to minimize group-level AUC.
This paper visualizes uncertainty in classifier performance metrics.
problem Overemphasis on model performance metrics risks overlooking uncertainty.
method Developed visualizations of confusion matrix metric distributions.
result Uncertainty in performance metrics can overshadow model differences.
Deep ROC analysis improves model selection and interpretation in medical and AI applications.
problem Inadequate performance measures for binary classifiers.
method Deep ROC analysis, translating AUC and partial AUC into balanced average accuracy and post-test measures.
result Deep ROC analysis provides balanced average accuracy, average sensitivity, and average specificity.
TrialGraph uses graph machine learning to improve clinical trial design and predict side effects.
problem Complexity and cost in clinical trials hinder drug development.
method Curated clinical trial data set converted to graph-structured formats, applied graph machine learning algorithms.
result MetaPath2Vec algorithm performed exceptionally well, improving prediction accuracy.
The variational autoencoder (VAE) is a generative model with continuous latent variables where a pair of probabilistic encoder (bottom-up) and decoder (top-down) is jointly learned by stochastic gradient variational Bayes. We first elaborate Gaussian VAE, approximating the local covariance matrix of the decoder as an o…
Predicts accuracy of classifiers on unseen classes.
problem Unknown accuracy of classifiers on unseen classes.
method Defined rROC to estimate classifier accuracy on unseen classes.
result Robust algorithm CleaneX achieves better predictions.
Managing patients with chronic diseases is a major and growing healthcare challenge in several countries. A chronic condition, such as diabetes, is an illness that lasts a long time and does not go away, and often leads to the patient's health gradually getting worse. While recent works involve raw electronic health re…
We show how to compute the Bayes error-rate for speaker verifiers.
problem How many errors does a speaker verifier make in a hundred trials?
method We compute the Bayes error-rate using calibrated likelihood ratios and user-supplied prior probabilities.
result The Bayes error-rate is upper bounded by the minimum of EER, P, and 1-P.
DCC separates marginal estimation from dependence modeling for improved classification accuracy.
problem Classifying with strong dependence between features.
method Deep Copula Classifier using neural copula densities.
result Achieves excess-risk O(n−r/(2r+d)) for r-smooth copulas. We investigate a long-debated question, which is how to create predictive models of recidivism that are sufficiently accurate, transparent, and interpretable to use for decision-making. This question is complicated as these models are used to support different decisions, from sentencing, to determining release on proba…
The paper analyzes recalibration methods for binary classifiers under distribution shift.
problem Recalibrating binary classifiers to match a target prior probability.
method Analysis of distribution shift assumptions and proposal of new recalibration methods.
result QMM methods provide conservative results for risk weights functions.
The paper proves concentration inequalities for two-sample rank processes and applies them to ranking performance criteria.
problem Measuring the performance of ranking statistics between two populations.
method Proves concentration inequalities for two-sample rank processes indexed by VC classes of scoring functions.
result Generalization capacity of empirical maximizers of ranking performance criteria is investigated.
Early diagnosis is important for type 2 diabetes (T2D) to improve patient prognosis, prevent complications and reduce long-term treatment costs. We present a novel risk profiling approach based exclusively on health expenditure data that is available to Belgian mutual health insurers. We used expenditure data related t…
The study examines how verifier imperfections impact test-time scaling techniques.
problem Understanding how verifier imperfections affect test-time scaling methods.
method Proves the instance-level accuracy of Best-of-N and Rejection Sampling methods using the geometry of the verifier's ROC curve.
result RS outperforms BoN for fixed compute, but both converge to the same accuracy in the infinite-compute limit.
Optimizes partial AUC across various FPRs for machine learning models.
problem Lack of scalable algorithms for optimizing partial AUC in a range of FPRs.
method Formulated as a non-smooth DC program, developed an efficient approximated gradient descent method using Moreau envelope smoothing.
result Achieved a complexity of O(1/ε6) for finding nearly ε-critical solutions. New metrics fail adversarial tests, with some more robust than others.
problem Evaluation metrics for time-series anomaly detection were improved but not fully robust.
method Adversarial stress-testing of 12 adopted metrics on real benchmarks.
result Some metrics are more robust than others, with ROC-based metrics being gamed more often.
Proposes Isometric Graph Neural Networks to preserve graph distances.
problem Lack of faithful distance representation in graph neural networks.
method Introduces a new technique to modify GNNs' input space and loss function.
result Significant improvement in reflecting graph distances, as measured by KT.