Related papers: MAGE: Model-Level Graph Neural Networks Explanatio…

Tenuous subgraph finding aims to detect a subgraph with few social interactions and weak relationships among nodes. Despite significant efforts have been made on this task, they are mostly carried out in view of graph-structured data. These…

Graph Foundation Models (GFMs) have emerged as a frontier in graph learning, which are expected to deliver transferable representations across diverse tasks. However, GFMs remain constrained by in-memory bottlenecks: they attempt to encode…

Lots of learning tasks require dealing with graph data which contains rich relation information among elements. Modeling physics systems, learning molecular fingerprints, predicting protein interface, and classifying diseases demand a model…

Explainable Graph Neural Network (GNN) has emerged recently to foster the trust of using GNNs. Existing GNN explainers are developed from various perspectives to enhance the explanation performance. We take the first step to study GNN…

Data-driven surrogate modeling has surged in capability in recent years with the emergence of graph neural networks (GNNs), which can operate directly on mesh-based representations of data. The goal of this work is to introduce an…

Despite their success in various domains, the growing dependence on GNNs raises a critical concern about the nature of the combinatorial reasoning underlying their predictions, which is often hidden within their black-box architectures.…

Transparency and accountability have become major concerns for black-box machine learning (ML) models. Proper explanations for the model behavior increase model transparency and help researchers develop more accountable models. Graph neural…

Learning expressive molecular representations is crucial to facilitate the accurate prediction of molecular properties. Despite the significant advancement of graph neural networks (GNNs) in molecular representation learning, they generally…

Graph Neural Networks (GNNs) are a popular approach for predicting graph structured data. As GNNs tightly entangle the input graph into the neural network structure, common explainable AI approaches are not applicable. To a large extent,…

Graph-based retrieval-augmented generation (GraphRAG) exploits structured knowledge to support knowledge-intensive reasoning. However, most existing methods treat graphs as intermediate artifacts, and the few subgraph-based retrieval…

Graph Neural Networks (GNNs) have emerged as powerful representation learning tools for capturing complex dependencies within diverse graph-structured data. Despite their success in a wide range of graph mining tasks, GNNs have raised…

Molecular machine learning (ML) has proven important for tackling various molecular problems, such as predicting molecular properties based on molecular descriptors or fingerprints. Since relatively recently, graph neural network (GNN)…

Understanding and explaining the predictions of Graph Neural Networks (GNNs), is crucial for enhancing their safety and trustworthiness. Subgraph-level explanations are gaining attention for their intuitive appeal. However, most existing…

Similarly to other connectionist models, Graph Neural Networks (GNNs) lack transparency in their decision-making. A number of sub-symbolic approaches have been developed to provide insights into the GNN decision making process. These are…

Graph neural networks (GNNs) have led to major breakthroughs in a variety of domains such as drug discovery, social network analysis, and travel time estimation. However, they lack interpretability which hinders human trust and thereby…

Recent years have seen the vast potential of Graph Neural Networks (GNN) in many fields where data is structured as graphs (e.g., chemistry, recommender systems). In particular, GNNs are becoming increasingly popular in the field of…

Graphs are a fundamental abstraction for modeling relational data. However, graphs are discrete and combinatorial in nature, and learning representations suitable for machine learning tasks poses statistical and computational challenges. In…

Graph neural networks (GNNs) have various practical applications, such as drug discovery, recommendation engines, and chip design. However, GNNs lack transparency as they cannot provide understandable explanations for their predictions. To…

In recent years, Graph Neural Networks (GNNs) have become successful in molecular property prediction tasks such as toxicity analysis. However, due to the black-box nature of GNNs, their outputs can be concerning in high-stakes…

Instance-level graph neural network explainers have proven beneficial for explaining such networks on histopathology images. However, there has been few methods that provide model explanations, which are common patterns among samples within…