Related papers: Spiking Graph Predictive Coding for Reliable OOD G…

Accurate modelling and quantification of predictive uncertainty is crucial in deep learning since it allows a model to make safer decisions when the data is ambiguous and facilitates the users' understanding of the model's confidence in its…

Out-of-distribution (OOD) detection is critical for ensuring the safety and reliability of machine learning systems, particularly in dynamic and open-world environments. In the vision and text domains, zero-shot OOD detection - which…

This paper focuses on a significant yet challenging task: out-of-distribution detection (OOD detection), which aims to distinguish and reject test samples with semantic shifts, so as to prevent models trained on in-distribution (ID) data…

Deep neural networks (DNNs), while increasingly deployed in many applications, struggle with robustness against anomalous and out-of-distribution (OOD) data. Current OOD benchmarks often oversimplify, focusing on single-object tasks and not…

Out-of-Distribution (OOD) detection in computer vision is a crucial research area, with related benchmarks playing a vital role in assessing the generalizability of models and their applicability in real-world scenarios. However, existing…

Graph Neural Networks (GNNs) achieve strong performance on node classification tasks but remain difficult to interpret, particularly with respect to which input features drive their predictions. Existing global GNN explainers operate at the…

Recently, Out-of-distribution (OOD) detection in dynamic graphs, which aims to identify whether incoming data deviates from the distribution of the in-distribution (ID) training set, has garnered considerable attention in security-sensitive…

Learning invariant graph representations for out-of-distribution (OOD) generalization remains challenging because the learned representations often retain spurious components. To address this challenge, this work introduces a new tool from…

Graphs Neural Networks (GNNs) demonstrate high-performance on the link prediction (LP) task. However, these models often rely on all dataset samples being drawn from the same distribution. In addition, graph generative models (GGMs) show a…

We propose a method that leverages graph neural networks, multi-level message passing, and unsupervised training to enable real-time prediction of realistic clothing dynamics. Whereas existing methods based on linear blend skinning must be…

Evaluating the quality of post-hoc explanations for Graph Neural Networks (GNNs) remains a significant challenge. While recent years have seen an increasing development of explainability methods, current evaluation metrics (e.g., fidelity,…

Distributional discrepancy between training and test data can lead models to make inaccurate predictions when encountering out-of-distribution (OOD) samples in real-world applications. Although existing graph OOD detection methods leverage…

The concern of overconfident mis-predictions under distributional shift demands extensive reliability research on Graph Neural Networks used in critical tasks in drug discovery. Here we first introduce CardioTox, a real-world benchmark on…

Graph Neural Networks (GNNs) have been widely used to learn representations on graphs and tackle many real-world problems from a wide range of domains. In this paper we propose wsGAT, an extension of the Graph Attention Network (GAT)…

Drug synergy prediction (DSP) aims to identify efficacious drug combinations under various cellular contexts with different targets. However, the continual emergence of novel compounds results in variations in molecular scaffolds and sizes,…

Graph Neural Networks (GNNs) are a predominant method for graph representation learning. However, beyond subgraph frequency estimation, their application to network motif significance-profile (SP) prediction remains under-explored, with no…

Out-of-distribution (OOD) detection is crucial for deploying reliable machine learning models in open-world applications. Recent advances in CLIP-based OOD detection have shown promising results via regularizing prompt tuning with OOD…

Deployed graph neural networks (GNNs) are frozen at deployment yet must fit clean data, generalize under distribution shifts, and remain stable to perturbations. We show that static inference induces a fundamental tradeoff: improving…

Detecting out-of-distribution (OOD) samples are crucial for machine learning models deployed in open-world environments. Classifier-based scores are a standard approach for OOD detection due to their fine-grained detection capability.…

Existing methods for graph out-of-distribution (OOD) detection typically depend on training graph neural network (GNN) classifiers using a substantial amount of labeled in-distribution (ID) data. However, acquiring high-quality labeled…