An official website of the United States government
With the increasing popularity of Graph Neural Networks (GNNs) for predictive tasks on graph structured data, research on their explainability is becoming more critical and achieving significant progress. Although many methods are proposed to explain the predictions of GNNs, their focus is mainly on “how to generate explanations.” However, other important research questions like “whether the GNN explanations are inaccurate,” “what if the explanations are inaccurate,” and “how to adjust the model to generate more accurate explanations” have gained little attention. Our previous GNN Explanation Supervision (GNES) framework demonstrated effectiveness on improving the reasonability of the local explanation while still keep or even improve the backbone GNNs model performance. In many applications instead of per sample explanations, we need to find global explanations which are reasonable and faithful to the domain data. Simply learning to explain GNNs locally is not an optimal solution to a global understanding of the model. To improve the explainability power of the GNES framework, we propose the Global GNN Explanation Supervision (GGNES) technique which uses a basic trained GNN and a global extension of the loss function used in the GNES framework. This GNN creates local explanations which are fed to a Global Logic-based GNN Explainer, an existing technique that can learn the global Explanation in terms of a logic formula. These two frameworks are then trained iteratively to generate reasonable global explanations. Extensive experiments demonstrate the effectiveness of the proposed model on improving the global explanations while keeping the performance similar or even increase the model prediction power.
more »
« less
This content will become publicly available on April 11, 2026
CohEx: A Generalized Framework for Cohort Explanation
eXplainable Artificial Intelligence (XAI) has garnered significant attention for enhancing transparency and trust in machine learning models. However, the scopes of most existing explanation techniques focus either on offering a holistic view of the explainee model (global explanation) or on individual instances (local explanation), while the middle ground, i.e., cohort-based explanation, is less explored. Cohort explanations offer insights into the explainee's behavior on a specific group or cohort of instances, enabling a deeper understanding of model decisions within a defined context. In this paper, we discuss the unique challenges and opportunities associated with measuring cohort explanations, define their desired properties, and create a generalized framework for generating cohort explanations based on supervised clustering.
more »
« less
- Award ID(s):
- 2134901
- PAR ID:
- 10587287
- Publisher / Repository:
- AAAI
- Date Published:
- Journal Name:
- Proceedings of the AAAI Conference on Artificial Intelligence
- Volume:
- 39
- Issue:
- 18
- ISSN:
- 2159-5399
- Page Range / eLocation ID:
- 19440 to 19448
- Format(s):
- Medium: X
- Sponsoring Org:
- National Science Foundation
More Like this
-
-
Despite recent progress in Graph Neural Networks (GNNs), explaining predictions made by GNNs remains a challenging and nascent problem. The leading method mainly considers 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 at the instance level. 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, training the explanation model explaining for each instance is time-consuming for large-scale real-life datasets. 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 renders PGExplainer a natural approach to multi-instance explanations. Compared to the existing work, PGExplainer has better generalization ability and can be utilized in an inductive setting without training the model for new instances. Thus, PGExplainer is much more efficient than the leading method with significant speed-up. In addition, the explanation networks can also be utilized as a regularizer to improve the generalization power of existing GNNs when jointly trained with downstream tasks. 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.more » « less
-
In recent years, analyzing the explanation for the prediction of Graph Neural Networks (GNNs) has attracted increasing attention. Despite this progress, most existing methods do not adequately consider the inherent uncertainties stemming from the randomness of model parameters and graph data, which may lead to overconfidence and misguiding explanations. However, it is challenging for most of GNN explanation methods to quantify these uncertainties since they obtain the prediction explanation in apost-hocand model-agnostic manner without considering the randomness ofgraph dataandmodel parameters. To address the above problems, this paper proposes a novel uncertainty quantification framework for GNN explanations. For mitigating the randomness of graph data in the explanation, our framework accounts for two distinct data uncertainties, allowing for a direct assessment of the uncertainty in GNN explanations. For mitigating the randomness of learned model parameters, our method learns the parameter distribution directly from the data, obviating the need for assumptions about specific distributions. Moreover, the explanation uncertainty within model parameters is also quantified based on the learned parameter distributions. This holistic approach can integrate with anypost-hocGNN explanation methods. Empirical results from our study show that our proposed method sets a new standard for GNN explanation performance across diverse real-world graph benchmarks.more » « less
-
Counterfactual explanations of Graph Neural Networks (GNNs) offer a powerful way to understand data that can naturally be represented by a graph structure. Furthermore, in many domains, it is highly desirable to derive data-driven global explanations or rules that can better explain the high-level properties of the models and data in question. However, evaluating global counterfactual explanations is hard in real-world datasets due to a lack of human-annotated ground truth, which limits their use in areas like molecular sciences. Additionally, the increasing scale of these datasets provides a challenge for random search-based methods. In this paper, we develop a novel global explanation model RLHEX for molecular property prediction. It aligns the counterfactual explanations with humandefined principles, making the explanations more interpretable and easy for experts to evaluate. RLHEX includes a VAE-based graph generator to generate global explanations and an adapter to adjust the latent representation space to human-defined principles. Optimized by Proximal Policy Optimization (PPO), the global explanations produced by RLHEX cover 4.12% more input graphs and reduce the distance between the counterfactual explanation set and the input set by 0.47% on average across three molecular datasets. RLHEX provides a flexible framework to incorporate different human-designed principles into the counterfactual explanation generation process, aligning these explanations with domain expertise. The code and data are released at https://github.com/dqwang122/RLHEX.more » « less
-
Most of the work on interpretable machine learning has focused on designing either inherently interpretable models, which typically trade-off accuracy for interpretability, or post-hoc explanation systems, whose explanation quality can be unpredictable. Our method, ExpO, is a hybridization of these approaches that regularizes a model for explanation quality at training time. Importantly, these regularizers are differentiable, model agnostic, and require no domain knowledge to define. We demonstrate that post-hoc explanations for ExpO-regularized models have better explanation quality, as measured by the common fidelity and stability metrics. We verify that improving these metrics leads to significantly more useful explanations with a user study on a realistic task.more » « less
