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Graph data often contain noisy and spurious correlations that mask the true causal relationships, which are essential for enabling graph models to make predictions based on the underlying causal structure of the data. Dependence on spurious…
Graph neural networks (GNNs) have achieved remarkable success in processing graph-structured data across various applications. A critical aspect of real-world graphs is their dynamic nature, where new nodes are continually added and…
Many large-scale applications can be elegantly represented using graph structures. Their scalability, however, is often limited by the domain knowledge required to apply them. To address this problem, we propose a novel Causal Temporal…
Positional Encoder Graph Neural Networks (PE-GNNs) are among the most effective models for learning from continuous spatial data. However, their predictive distributions are often poorly calibrated, limiting their utility in applications…
Despite the exploding interest in graph neural networks there has been little effort to verify and improve their robustness. This is even more alarming given recent findings showing that they are extremely vulnerable to adversarial attacks…
Throughout science and technology, receiver operating characteristic (ROC) curves and associated area under the curve (AUC) measures constitute powerful tools for assessing the predictive abilities of features, markers and tests in binary…
Conformal prediction has become increasingly popular for quantifying the uncertainty associated with machine learning models. Recent work in graph uncertainty quantification has built upon this approach for conformal graph prediction. The…
The identification of biomarkers with high predictive accuracy is a crucial task in medical research, as it can aid clinicians in making early decisions, thereby reducing morbidity and mortality in high-risk populations. Time-dependent…
Receiver operating characteristic (ROC) curves are used ubiquitously to evaluate covariates, markers, or features as potential predictors in binary problems. We distinguish raw ROC diagnostics and ROC curves, elucidate the special role of…
The performance of risk prediction models is often characterized in terms of discrimination and calibration. The Receiver Operating Characteristic (ROC) curve is widely used for evaluating model discrimination. When evaluating the…
Graph classification is a significant problem in many scientific domains. It addresses tasks such as the classification of proteins and chemical compounds into categories according to their functions, or chemical and structural properties.…
Graph Neural Networks (GNNs), which are nowadays the benchmark approach in graph representation learning, have been shown to be vulnerable to adversarial attacks, raising concerns about their real-world applicability. While existing defense…
The comparison of Receiver Operating Characteristic (ROC) curves is frequently used in the literature to compare the discriminatory capability of different classification procedures based on diagnostic variables. The performance of these…
Traffic prediction is a critical task in spatial-temporal forecasting with broad applications in travel planning and urban management. To model the complex spatial-temporal dependencies in traffic data, Spatial-Temporal Graph Convolutional…
Long-horizon Flexible Job-Shop Scheduling~(FJSP) presents a formidable combinatorial challenge due to complex, interdependent decisions spanning extended time horizons. While learning-based Rolling Horizon Optimization~(RHO) has emerged as…
Receiver operating characteristic (ROC) analysis is one of the most popular approaches for evaluating and comparing the accuracy of medical diagnostic tests. Although various methodologies have been developed for estimating ROC curves and…
Determining the appropriate locus of care for addiction patients is one of the most critical clinical decisions that affects patient treatment outcomes and effective use of resources. With a lack of sufficient specialized treatment…
The exploration of Graph Neural Networks (GNNs) for processing graph-structured data has expanded, particularly their potential for causal analysis due to their universal approximation capabilities. Anticipated to significantly enhance…
We introduce Neural Conditional Probability (NCP), an operator-theoretic approach to learning conditional distributions with a focus on statistical inference tasks. NCP can be used to build conditional confidence regions and extract key…
The receiver operating characteristic (ROC) curve is a very useful tool for analyzing the diagnostic/classification power of instruments/classification schemes as long as a binary-scale gold standard is available. When the gold standard is…