Organizations: Mila - Quebec Artificial Intelligence Institute · 1McGill University
Abstract
Over the past decade, Graph Neural Networks (GNNs) have achieved great success on machine learning tasks with relational data. However, recent studies have found that heterophily can cause significant performance degradation of GNNs, especially on node-level tasks. Numerous heterophilic benchmark datasets have been put forward to validate the efficacy of heterophily-specific GNNs, and various homophily metrics have been designed to help recognize these challenging datasets. Nevertheless, there still exist multiple pitfalls that severely hinder the proper evaluation of new models and metrics: 1) lack of hyperparameter tuning; 2) insufficient evaluation on the truly challenging heterophilic datasets; 3) missing quantitative evaluation for homophily metrics on synthetic graphs. To overcome these challenges, we first train and fine-tune baseline models on 27 most widely used benchmark datasets, and categorize them into three distinct groups: malignant, benign and ambiguous heterophilic datasets. We identify malignant and ambiguous heterophily as the truly challenging subsets of tasks, and to our best knowledge, we are the first to propose such taxonomy. Then, we re-evaluate 11 state-of-the-arts (SOTA) GNNs, covering six popular methods, with fine-tuned hyperparameters on different groups of heterophilic datasets. Based on the model performance, we comprehensively reassess the effectiveness of different methods on heterophily. At last, we evaluate 11 popular homophily metrics on synthetic graphs with three different graph generation approaches. To overcome the unreliability of observation-based comparison and evaluation, we conduct the first quantitative evaluation and provide detailed analysis.
Graph neural networks (GNNs) have demonstrated success in modeling relational data primarily under the assumption of homophily. However, many real-world graphs exhibit heterophily, where linked nodes belong to different categories or possess diverse attributes, such as webpages, Wikipedia articles, social networks, and e-commerce platforms. Additionally, nodes in many domains are associated with textual descriptions, forming heterophilic text-attributed graphs (TAGs). Despite their significance, heterophilic TAGs remain underexplored due to the lack of dedicated benchmarks that jointly capture heterophilic structures and rich textual attributes. To address this gap, we introduce the \textbf{He}terophilic \textbf{T}ext-attributed \textbf{G}raph \textbf{B}enchmark (HeTGB), a novel benchmark comprising five real-world heterophilic graph datasets from diverse domains, with nodes enriched by extensive textual descriptions. HeTGB enables systematic evaluation of GNNs, pre-trained language models (PLMs) and co-training methods on the node classification task. Through extensive benchmarking experiments, we showcase the utility of text attributes in heterophilic graphs, analyze the challenges posed by heterophilic TAGs and the limitations of existing models, and provide insights into the interplay between graph structures and textual attributes.
Graph neural networks are widely used for transductive node classification, with accuracy typically measured on randomly drawn train/validation/test splits. Reported accuracy has been shown to shift substantially across different random splits of the same dataset, making published comparisons between architectures unreliable. The classical remedy in non-graph settings is stratified k-fold cross-validation, which ensures each test fold reflects the full class distribution of the dataset. We argue that class stratification alone is insufficient for graphs: nodes are not isolated but connected, and folds that differ in their distribution of local neighbourhood homophily expose the model to systematically different relational conditions that directly affect message-passing behaviour. The resulting cross-fold variation reflects the homophily composition of each split, inflating reported variance beyond what model behaviour alone would produce. To address this, we propose \hp{}, a topology-aware stratification procedure that treats node homophily as the primary stratification axis, aligning folds with respect to local relational consistency alongside the class marginal that standard stratification already controls. Stratifying on homophily alone does not guarantee class balance, so \hp{} incorporates class label as a secondary axis, preserving class representativeness as a natural consequence of the procedure. We evaluate \hp{} on a broad benchmark suite comprising 15 node-classification datasets spanning the full homophily spectrum and 7 GNN architectures. \hp{} achieves a mean stability rank of 1.49 compared to 2.31 for random k-fold, achieving the lowest mean stability rank on 13 of 15 datasets while preserving class balance close to class-stratified splits and substantially better than random. We argue that homophily-aware split construction merits broader adoption for GNN evaluation.
Naga Venkata Sai Jitin Jami, Thomas Altstidl, Sebastian Hoefler +4
Heterophily is a prevalent property of real-world graphs and is well known to impair the performance of homophilic Graph Neural Networks (GNNs). Prior work has attempted to adapt GNNs to heterophilic graphs through non-local neighbor extension or architecture refinement. However, the fundamental reasons behind misclassifications remain poorly understood. In this work, we take a novel perspective by examining recurring inductive subgraphs, empirically and theoretically showing that they act as spurious shortcuts that mislead GNNs and reinforce non-causal correlations in heterophilic graphs. To address this, we adopt a causal inference perspective to analyze and correct the biased learning behavior induced by shortcut inductive subgraphs. We propose a debiased causal graph that explicitly blocks confounding and spillover paths responsible for these shortcuts. Guided by this causal graph, we introduce Causal Disentangled GNN (CD-GNN), a principled framework that disentangles spurious inductive subgraphs from true causal subgraphs by explicitly blocking non-causal paths. By focusing on genuine causal signals, CD-GNN substantially improves the robustness and accuracy of node classification in heterophilic graphs. Extensive experiments on real-world datasets not only validate our theoretical findings but also demonstrate that our proposed CD-GNN outperforms state-of-the-art heterophily-aware baselines.