Node Classification

This study establishes a benchmark for Caenorhabditis elegans neuron classification, comparing four graph methods (GCN, GraphSAGE, GAT, GraphTransformer) against four non-graph methods (Logistic Regression, MLP, LOLCAT, NeuPRINT). Using the functional connectome, we classified Sensory, Interneuron, and Motor neurons based on Spatial, Connection, and Neuronal Activity features. Results show that attention-based GNNs significantly outperform baselines on the Spatial and Connection features. The Neuronal Activity features yielded poor performance, likely due to the low temporal resolution of the underlying neuronal activity data. Our benchmark validates the use of GNNs and highlights that Spatial and Connection features are key predictors for Caenorhabditis elegans neuron classes. Code is available at: https://github.com/JingqiLuu/neuronclf-gnn-benchmark.

Neurochaos Learning (NL) has shown promise in recent times over traditional deep learning due to its two key features: ability to learn from small sized training samples, and low compute requirements. In prior work, NL has been implemented and extensively tested on separable and time series data, and demonstrated its superior performance on both classification and regression tasks. In this paper, we investigate the next step in NL, viz., applying NL to linked data, in particular, data that is represented in the form of knowledge graphs. We integrate linked data into NL by implementing node aggregation on knowledge graphs, and then feeding the aggregated node features to the simplest NL architecture: ChaosNet. We demonstrate the results of our implementation on homophilic graph datasets as well as heterophilic graph datasets of verying heterophily. We show better efficacy of our approach on homophilic graphs than on heterophilic graphs. While doing so, we also present our analysis of the results, as well as suggestions for future work.

The class imbalance problem refers to the disproportionate distribution of samples across different classes within a dataset, where the minority classes are significantly underrepresented. This issue is also prevalent in graph-structured data. Most graph neural networks (GNNs) implicitly assume a balanced class distribution and therefore often fail to account for the challenges introduced by class imbalance, which can lead to biased learning and degraded performance on minority classes. We identify a quality inconsistency problem in synthesized nodes, which leads to suboptimal performance under graph imbalance conditions. To mitigate this issue, we propose GraphIFE (Graph Invariant Feature Extraction), a novel framework designed to mitigate quality inconsistency in synthesized nodes. Our approach incorporates two key concepts from graph invariant learning and introduces strategies to strengthen the embedding space representation, thereby enhancing the model's ability to identify invariant features. Extensive experiments demonstrate the framework's efficiency and robust generalization, as GraphIFE consistently outperforms various baselines across multiple datasets. The code is publicly available at https://github.com/flzeng1/GraphIFE.

Graph foundation models face several fundamental challenges including transferability across diverse domains and data scarcity, which calls into question the very feasibility of creating such models. However, despite similar challenges, the tabular domain has recently witnessed the emergence of the first successful foundation models such as TabPFN. These models are based on the prior-data fitted networks (PFN) framework, in which models are pretrained on carefully designed synthetic datasets to make predictions in an in-context learning setting. Recently, G2T-FM, a framework that converts graph node-level tasks into tabular tasks, has made the first step towards adopting PFNs for graphs, yet it is limited to hand-crafted features and was never pretrained on graph data. In this work, we make the next step by proposing GraphPFN, a PFN-based model designed and pretrained specifically for graph node-level tasks. Following the PFN framework, we first design a prior distribution of synthetic attributed graphs by using a novel combination of multi-level stochastic block models and a preferential attachment process for structure generation and graph-aware structured causal models for attribute generation. Then, we augment the tabular foundation model LimiX with attention-based graph neighborhood aggregation layers and train it on millions of synthetic graphs sampled from our prior. On diverse real-world graph datasets with node-level tasks, GraphPFN achieves state-of-the-art results in both in-context learning and finetuning regimes, outperforming G2T-FM, prior GFMs, and task-specific GNNs trained from scratch. More broadly, GraphPFN shows the potential of PFN-based models for building graph foundation models.

While foundation models have revolutionized fields such as natural language processing and computer vision, their potential in graph machine learning remains largely unexplored. One of the key challenges in designing graph foundation models (GFMs) is handling diverse node features that can vary across different graph datasets. While many works on GFMs have focused exclusively on text-attributed graphs, the problem of handling arbitrary features of other types in GFMs has not been fully addressed. However, this problem is not unique to the graph domain, as it also arises in the field of machine learning for tabular data. In this work, motivated by the recent success of tabular foundation models (TFMs) like TabPFNv2 and LimiX, we propose G2T-FM, a simple framework that allows tabular foundation models to be applied to graph node-level tasks. Specifically, G2T-FM augments the original node features with neighborhood feature aggregation, adds structural embeddings, and then applies a TFM to the constructed node representations. Even in the in-context learning setting, our model achieves strong results when combined with a strong TFM, outperforming both prior GFMs and well-tuned GNNs trained from scratch. Moreover, after finetuning, G2T-FM consistently surpasses well-tuned GNN baselines, often by a significant margin. In summary, our paper reveals the potential of a previously overlooked direction: utilizing tabular foundation models for graph machine learning tasks.

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 Heterophilic Text-attributed Graph Benchmark (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.

This paper addresses domain adaptation in graph-structured data under chronological splits. We consider transductive semi-supervised node classification (SSNC), in which labels of historical nodes are used to predict labels of more recent nodes. Temporal dependencies in graph connectivity induce distribution shifts across time, often degrading the performance of models trained on past nodes. Despite its practical relevance, domain adaptation under chronological graph splits remains relatively underexplored. We propose Symmetric Temporal Averaging Message Passing (STAMP), a timestamp-balanced operator that replaces standard neighborhood aggregation with temporally aligned propagation. We call its specialized variant for the heterogeneous ogbn-mag dataset STAMP-mag, reserving STAMP for the general formulation. By balancing messages across timestamps, STAMP enforces first-moment invariance across temporal domains while remaining scalable and easy to implement. Unlike many existing domain adaptation methods, whose assumptions are difficult to verify on graphs, STAMP relies on transparent, practically checkable conditions and is supported by theoretical analysis. Empirically, STAMP and STAMP-mag improve accuracy across all evaluated temporal graph benchmarks. STAMP achieves state-of-the-art performance on ogbn-arxiv, while STAMP-mag does so on ogbn-mag. For temporal-split Pokec, where no established benchmark exists, applying STAMP to the state-of-the-art model for the original dataset consistently improves performance under our chronological split. These results demonstrate that timestamp-balanced propagation is an effective and practical approach to mitigating temporal distribution shift in graph learning.

Heterogeneous graphs, whose nodes and edges can belong to different types and feature spaces, arise in many real-world domains, including biology, recommendation, social networks, and computer systems. Existing heterogeneous graph neural networks typically handle this heterogeneity at the architectural level through relation-specific modules, meta-path machinery or type-aware attention, which often leads to increasingly specialised parameter-heavy designs. In this work, we propose HetSheaf, a framework for learning heterogeneous graphs through cellular sheaves. Instead of encoding heterogeneity solely in the architecture, HetSheaf represents it directly in the underlying data structure by assigning type-aware local feature spaces and learning restriction maps conditioned on node features, node types, and edge types. To support graph-level prediction, we further introduce SheafPool, a universal stalk-space readout that aggregates node representations while being invariant to local changes of basis, thereby making graph classification with sheaf networks well-defined and achieving an F1 Score up to 42 percentage points higher than mean pooling. Across a diverse suite of benchmarks (node classification, link prediction and graph classification). HetSheaf consistently achieves up to 2 percentage points higher performance (up to 94.97% Macro F1 Score on node classification and up to 99.62% on link prediction) on the Heterogeneous Graph Benchmark (HGB) framework against homogeneous (GCN, GAT, GIN, GraphSAGE), heterogeneous (R-GCN, HAT, HGT) and type-agnostic sheaf baselines, while reducing the number of parameters by up to 10$\times$.

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.