A GNN (Graph Neural Network) is a type of neural network designed to process and analyze graph-structured data. Graphs consist of nodes and edges, and GNNs are specifically tailored to capture relationships and dependencies within graph-structured data. They have applications in various domains, including social network analysis, recommendation systems, and bioinformatics, where data naturally forms graph structures.

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F-Fidelity: A Robust Framework for Faithful-NESS Evaluation in Explainable AI

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Recent research has developed a number of eXplainable AI (XAI) techniques, such as gradient-based approaches, input perturbation-base methods, and black-box explanation methods. While these XAI techniques can extract meaningful insights from deep learning models, how to properly evaluate them remains an open problem. The most widely used approach is to perturb or even remove what the XAI method considers to be the most important features in an input and observe the changes in the output prediction. This approach, although straightforward, suffers the Out-of-Distribution (OOD) problem as the perturbed samples may no longer follow the original data distribution. A recent method RemOve And Retrain (ROAR) solves the OOD issue by retraining the model with perturbed samples guided by explanations. However, using the model retrained based on XAI methods to evaluate these explainers may cause information leakage and thus lead to unfair comparisons. We propose Fine-tuned Fidelity (F-Fidelity), a robust evaluation framework for XAI, which utilizes i) an explanation-agnostic fine-tuning strategy, thus mitigating the information leakage issue, and ii) a random masking operation that ensures that the removal step does not generate an OOD input. We also design controlled experiments with state-of-the-art (SOTA) explainers and their degraded version to verify the correctness of our framework. We conduct experiments on multiple data modalities, such as images, time series, and natural language. The results demonstrate that F-Fidelity significantly improves upon prior evaluation metrics in recovering the ground-truth ranking of the explainers. Furthermore, we show both theoretically and empirically that, given a faithful explainer, F-Fidelity metric can be used to compute the sparsity of influential input components, i.e., to extract the true explanation size.

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Graph Neural Networks, Explained: Our Role in the Future of AI

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NEC Laboratories America (NECLA) is advancing the frontier of Graph Neural Networks (GNNs), a transformative AI technology that processes complex, interconnected data. Through innovations like PTDNet for robust learning, novel frameworks for explainability, StrGNN for anomaly detection in dynamic graphs, and GERDQ for calibration with out-of-distribution nodes, NECLA is addressing critical challenges in GNN development. These breakthroughs have real-world implications in fields such as cybersecurity, bioinformatics, and recommendation systems, positioning NECLA as a leader in the evolution of graph-based AI.

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Towards Robust Fidelity for Evaluating Explainability of Graph Neural Networks

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Graph Neural Networks (GNNs) are neural models that leverage the dependency structure in graphical data via message passing among the graph nodes. GNNs have emerged as pivotal architectures in analyzing graph-structured data, and their expansive application in sensitive domains requires a comprehensive understanding of their decision-making processes — necessitating a framework for GNN explainability. An explanation function for GNNs takes a pre-trained GNN along with a graph as input, to produce a ‘sufficient statistic’ subgraph with respect to the graph label. A main challenge in studying GNN explainability is to provide f idelity measures that evaluate the performance of these explanation functions. This paper studies this foundational challenge, spotlighting the inherent limitations of prevailing fidelity metrics, including Fid+, Fid?, and Fid?. Specifically, a formal, information-theoretic definition of explainability is introduced and it is shown that existing metrics often fail to align with this definition across various statistical scenarios. The reason is due to potential distribution shifts when subgraphs are removed in computing these fidelity measures. Subsequently, a robust class of fidelity measures are introduced, and it is shown analytically that they are resilient to distribution shift issues and are applicable in a wide range of scenarios. Extensive empirical analysis on both synthetic and real datasets are provided to illustrate that the proposed metrics are more coherent with gold standard metrics. The source code is available at https://trustai4s-lab.github.io/fidelity.

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InfoGCL: Information-Aware Graph Contrastive Learning

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InfoGCL: Information-Aware Graph Contrastive Learning Various graph contrastive learning models have been proposed to improve the performance of tasks on graph datasets in recent years. While effective and prevalent, these models are usually carefully customized. In particular, despite all recent work create two contrastive views, they differ in a variety of view augmentations, architectures, and objectives. It remains an open question how to build your graph contrastive learning model from scratch for particular graph tasks and datasets. In this work, we aim to fill this gap by studying how graph information is transformed and transferred during the contrastive learning process, and proposing an information-aware graph contrastive learning framework called InfoGCL. The key to the success of the proposed framework is to follow the Information Bottleneck principle to reduce the mutual information between contrastive parts while keeping task-relevant information intact at both the levels of the individual module and the entire framework so that the information loss during graph representation learning can be minimized. We show for the first time that all recent graph contrastive learning methods can be unified by our framework. Based on theoretical and empirical analysis on benchmark graph datasets, we show that InfoGCL achieves state-of-the-art performance in the settings of both graph classification and node classification tasks.

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Parameterized Explainer for Graph Neural Network

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Despite recent progress in Graph Neural Networks (GNNs), explaining predictions made by GNNs remains a challenging open problem. The leading method independently addresses the local explanations (i.e., important subgraph structure and node features) to interpret why a GNN model makes the prediction for a single instance, e.g. a node or a graph. As a result, the explanation generated is painstakingly customized for each instance. The unique explanation interpreting each instance independently is not sufficient to provide a global understanding of the learned GNN model, leading to the lack of generalizability and hindering it from being used in the inductive setting. Besides, as it is designed for explaining a single instance, it is challenging to explain a set of instances naturally (e.g., graphs of a given class). In this study, we address these key challenges and propose PGExplainer, a parameterized explainer for GNNs. PGExplainer adopts a deep neural network to parameterize the generation process of explanations, which enables PGExplainer a natural approach to explaining multiple instances collectively. Compared to the existing work, PGExplainer has better generalization ability and can be utilized in an inductive setting easily. Experiments on both synthetic and real-life datasets show highly competitive performance with up to 24.7% relative improvement in AUC on explaining graph classification over the leading baseline.

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