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Graph Out-of-Distribution (OOD), requiring that models trained on biased data generalize to the unseen test data, has a massive of real-world applications. One of the most mainstream methods is to extract the invariant subgraph by aligning…

Learning on molecule graphs has become an increasingly important topic in AI for science, which takes full advantage of AI to facilitate scientific discovery. Existing solutions on modeling molecules utilize Graph Neural Networks (GNNs) to…

Predictive machine learning models generally excel on in-distribution data, but their performance degrades on out-of-distribution (OOD) inputs. Reliable deployment therefore requires robust OOD detection, yet this is particularly…

Out-of-distribution (OOD) generalization deals with the prevalent learning scenario where test distribution shifts from training distribution. With rising application demands and inherent complexity, graph OOD problems call for specialized…

Graph Neural Networks (GNNs)-based recommendation algorithms typically assume that training and testing data are drawn from independent and identically distributed (IID) spaces. However, this assumption often fails in the presence of…

Out-of-Distribution (OOD) detection is critical for safely deploying deep models in open-world environments, where inputs may lie outside the training distribution. During inference on a model trained exclusively with In-Distribution (ID)…

Out-of-distribution (OOD) graph generalization are critical for many real-world applications. Existing methods neglect to discard spurious or noisy features of inputs, which are irrelevant to the label. Besides, they mainly conduct…

Recent years have seen a surge in research on dynamic graph representation learning, which aims to model temporal graphs that are dynamic and evolving constantly over time. However, current work typically models graph dynamics with…

Graph Neural Networks (GNNs) have received increasing attention due to their ability to learn from graph-structured data. However, their predictions are often not interpretable. Post-hoc instance-level explanation methods have been proposed…

Node classification has gained significant importance in graph deep learning with real-world applications such as recommendation systems, drug discovery, and citation networks. Graph Convolutional Networks and Graph Transformers have…

In this work, we investigate the problem of out-of-distribution (OOD) generalization for unsupervised learning methods on graph data. This scenario is particularly challenging because graph neural networks (GNNs) have been shown to be…

Graph Transformers (GTs), which integrate message passing and self-attention mechanisms simultaneously, have achieved promising empirical results in graph prediction tasks. However, the design of scalable and topology-aware node…

Interpretable graph learning is in need as many scientific applications depend on learning models to collect insights from graph-structured data. Previous works mostly focused on using post-hoc approaches to interpret pre-trained models…

With the emerging of huge amount of unlabeled data, unsupervised out-of-distribution (OOD) detection is vital for ensuring the reliability of graph neural networks (GNNs) by identifying OOD samples from in-distribution (ID) ones during…

To bridge the semantic gap between vision and language (VL), it is necessary to develop a good alignment strategy, which includes handling semantic diversity, abstract representation of visual information, and generalization ability of…

Graph neural networks (GNNs) have become compelling models designed to perform learning and inference on graph-structured data. However, little work has been done to understand the fundamental limitations of GNNs for scaling to larger…

Graphs are a fundamental data structure for representing relational information in domains such as social networks, molecular systems, and knowledge graphs. However, graph learning models often suffer from limited generalization when…

Graph-structured data exhibits universality and widespread applicability across diverse domains, such as social network analysis, biochemistry, financial fraud detection, and network security. Significant strides have been made in…

In neuroscience, identifying distinct patterns linked to neurological disorders, such as Alzheimer's and Autism, is critical for early diagnosis and effective intervention. Graph Neural Networks (GNNs) have shown promising in analyzing…

Logical rule learning, a prominent category of knowledge graph (KG) reasoning methods, constitutes a critical research area aimed at learning explicit rules from observed facts to infer missing knowledge. However, like all KG reasoning…