Explaining the decision-making process of Graph Neural Networks (GNNs) is essential for improving their transparency and reliability. However, real-world graphs are often heterogeneous and subject to structural noise, posing severe challenges to the robustness of existing explanation methods. To address these issues, we propose RoHeX, a Robust Heterogeneous GNN Explainer that enhances explanation quality under noisy conditions. RoHeX begins with a theoretical analysis revealing how different heterogeneous GNN architectures amplify structural perturbations through message passing. Building on this insight, we design a denoising variational inference framework that filters noisy structures and learns robust latent graph representations. Furthermore, we incorporate relation-aware heterogeneous semantics into the explanation generation process, formulating explanation as an optimization problem under the graph information bottleneck principle. This formulation enables RoHeX to balance fidelity and compactness, producing explanations that are both semantically meaningful and structurally stable. Comprehensive experiments on multiple real-world heterogeneous graphs demonstrate that RoHeX consistently surpasses state-of-the-art baselines in explanation fidelity, robustness to structural perturbations, and explainability.

As the state-of-the-art graph learning models, the message passing based neural networks (MPNNs) implicitly use the graph topology as the "pathways" to propagate node features. This implicit use of graph topology induces the MPNNs' over-reliance on (node) features and high inference latency, which hinders their large-scale applications in industrial contexts. To mitigate these weaknesses, we propose the Graph Explicit Neural Network (GENN) framework. GENN can be flexibly applied to various MPNNs and improves them by providing more efficient and accurate inference that is robust in feature-constrained settings. Specifically, we carefully incorporate recent developments in network embedding methods to efficiently prioritize the graph topology for inference. From this vantage, GENN explicitly encodes the topology as an important source of information to mitigate the reliance on node features. Moreover, by adopting knowledge distillation (KD) techniques, GENN takes an MPNN as the teacher to supervise the training for better effectiveness while avoiding the teacher's high inference latency. Empirical results show that our GENN infers dramatically faster than its MPNN teacher by 40x-78x. In terms of accuracy, GENN yields significant gains (more than 40%) for its MPNN teacher when the node features are limited based on our explicit encoding. Moreover, GENN outperforms the MPNN teacher even in feature-rich settings thanks to our KD design.

Spatio-temporal forecasting has a wide range of applications in smart city efforts, such as traffic forecasting and air quality prediction. Graph Convolutional Recurrent Neural Networks (GCRNN) are the state-of-the-art methods for this problem, which learn temporal dependencies by RNNs and exploit pairwise node proximity to model spatial dependencies. However, the spatial relations in real data are not simply pairwise but sometimes in a higher order among multiple nodes. Moreover, spatio-temporal sequences deriving from nature are often regulated by known or unknown physical laws. GCRNNs rarely take into account the underlying physics in real-world systems, which may result in degenerated performance. To address these issues, we devise a general model called Mixed-Order Relation-Aware RNN (MixRNN+) for spatio-temporal forecasting. Specifically, our MixRNN+ captures the complex mixed-order spatial relations of nodes through a newly proposed building block called Mixer, and simultaneously addressing the underlying physics by the integration of a new residual update strategy. Experimental results on three forecasting tasks in smart city applications (including traffic speed, taxi flow, and air quality prediction) demonstrate the superiority of our model against the state-of-the-art methods. We have also deployed a cloud-based system using our method as the bedrock model to show its practicality.

Transformers have been an efficient alternative to recurrent neural networks in many sequential learning tasks. When adapting transformers to modeling trajectories, we encounter two major issues. First, being originally designed for language modeling, transformers assume regular intervals between input tokens, which contradicts the irregularity of trajectories. Second, transformers often suffer high computational costs, especially for long trajectories. In this paper, we address these challenges by presenting a novel transformer architecture entitled TrajFormer. Our model first generates continuous point embeddings by jointly considering the input features and the information of spatio-temporal intervals, and then adopts a squeeze function to speed up the representation learning. Moreover, we introduce an auxiliary loss to ease the training of transformers using the supervision signals provided by all output tokens. Extensive experiments verify that our TrajFormer achieves a preferable speed-accuracy balance compared to existing approaches.

Urban flow prediction benefits smart cities in many aspects, such as traffic management and risk assessment. However, a critical prerequisite for these benefits is having fine-grained knowledge of the city. Thus, unlike previous works that are limited to coarse-grained data, we extend the horizon of urban flow prediction to fine granularity which raises specific challenges: 1) the predominance of inter-grid transitions observed in fine-grained data makes it more complicated to capture the spatial dependencies among grid cells at a global scale; 2) it is very challenging to learn the impact of external factors (e.g., weather) on a large number of grid cells separately. To address these two challenges, we present a Spatio-Temporal Relation Network (STRN) to predict fine-grained urban flows. First, a backbone network is used to learn high-level representations for each cell. Second, we present a Global Relation Module (GloNet) that captures global spatial dependencies much more efficiently compared to existing methods. Third, we design a Meta Learner that takes external factors and land functions (e.g., POI density) as inputs to produce meta knowledge and boost model performances. We conduct extensive experiments on two real-world datasets. The results show that STRN reduces the errors by 7.1% to 11.5% compared to the state-of-the-art method while using much fewer parameters. Moreover, a cloud-based system called UrbanFlow 3.0 has been deployed to show the practicality of our approach.

Graph neural networks (GNNs) have achieved state-of-the-art performance on graph classification tasks. Existing work usually feeds graphs to GNNs in random order for training. However, graphs can vary greatly in their difficulty for classification, and we argue that GNNs can benefit from an easy-to-difficult curriculum, similar to the learning process of humans. Evaluating the difficulty of graphs is challenging due to the high irregularity of graph data. To address this issue, we present the CurGraph (Curriculum Learning for Graph Classification) framework, that analyzes the graph difficulty in the high-level semantic feature space. Specifically, we use the infomax method to obtain graph-level embeddings and a neural density estimator to model the embedding distributions. Then we calculate the difficulty scores of graphs based on the intra-class and inter-class distributions of their embeddings. Given the difficulty scores, CurGraph first exposes a GNN to easy graphs, before gradually moving on to hard ones. To provide a soft transition from easy to hard, we propose a smooth-step method, which utilizes a time-variant smooth function to filter out hard graphs. Thanks to CurGraph, a GNN learns from the graphs at the border of its capability, neither too easy or too hard, to gradually expand its border at each training step. Empirically, CurGraph yields significant gains for popular GNN models on graph classification and enables them to achieve superior performance on miscellaneous graphs.

Mixup is an advanced data augmentation method for training neural network based image classifiers, which interpolates both features and labels of a pair of images to produce synthetic samples. However, devising the Mixup methods for graph learning is challenging due to the irregularity and connectivity of graph data. In this paper, we propose the Mixup methods for two fundamental tasks in graph learning: node and graph classification. To interpolate the irregular graph topology, we propose the two-branch graph convolution to mix the receptive field subgraphs for the paired nodes. Mixup on different node pairs can interfere with the mixed features for each other due to the connectivity between nodes. To block this interference, we propose the two-stage Mixup framework, which uses each node’s neighbors’ representations before Mixup for graph convolutions. For graph classification, we interpolate complex and diverse graphs in the semantic space. Qualitatively, our Mixup methods enable GNNs to learn more discriminative features and reduce over-fitting. Quantitative results show that our method yields consistent gains in terms of test accuracy and F1-micro scores on standard datasets, for both node and graph classification. Overall, our method effectively regularizes popular graph neural networks for better generalization without increasing their time complexity.

Graph Convolutional Networks (GCNs) have achieved state-of-the-art performance on node classification. However, recent works have shown that GCNs are vulnerable to adversarial attacks, such as additions or deletions of adversarially-chosen edges in the graph, in order to mislead the node classification algorithms. How can we design robust GCNs that are resistant to such adversarial attacks? More challengingly, how can we do this in a way that is provably robust? We propose a robust node classification approach based on a low-pass `message passing' mechanism, that (a) reduces the effectiveness of adversarial attacks in experiments, and (b) provides theoretical guarantees against adversarial attacks. Our approach can be embedded into the existing GCN architectures to enhance their robustness. Empirical results show that our loss-pass method effectively improves the performance of multiple GCNs under miscellaneous perturbations and helps them to achieve superior performance on various graphs.

By using Data Augmentation (DA), we present a new method to enhance Graph Convolutional Networks (GCNs), that are the state-of-the-art models for semi-supervised node classification. DA for graph data remains under-explored. Due to the connections built by edges, DA for different nodes influence each other and lead to undesired results, such as uncontrollable DA magnitudes and changes of ground-truth labels. To address this issue, we present the NodeAug (Node-Parallel Augmentation) scheme, that creates a 'parallel universe' for each node to conduct DA, to block the undesired effects from other nodes. NodeAug regularizes the model prediction of every node (including unlabeled) to be invariant with respect to changes induced by Data Augmentation (DA), so as to improve the effectiveness. To augment the input features from different aspects, we propose three DA strategies by modifying both node attributes and the graph structure. In addition, we introduce the subgraph mini-batch training for the efficient implementation of NodeAug. The approach takes the subgraph corresponding to the receptive fields of a batch of nodes as the input per iteration, rather than the whole graph that the prior full-batch training takes. Empirically, NodeAug yields significant gains for strong GCN models on the Cora, Citeseer, Pubmed, and two co-authorship networks, with a more efficient training process thanks to the proposed subgraph mini-batch training approach.

Modern Knowledge Graphs such as DBPedia contain significant information regarding Named Entities and the logical relationships which exist between them. Twitter on the other hand, contains important information on the popularity and frequency with which these entities are mentioned and discussed in combination with one another. In this paper we investigate whether these two sources of information can be used to complement and explain one another. In particular, we would like to know whether the logical relationships (a.k.a. semantic paths) which exist between pairs of known entities can help to explain the frequency with which those entities co-occur with one another in Twitter. To do this we train a ranking function over semantic paths between pairs of entities. The aim of the ranker is to identify the path that most likely explains why a particular pair of entities have appeared together in a particular tweet. We train the ranking model using a number of lexical, graph-embedding and popularity-based features over semantic paths containing a single intermediate entity and demonstrate the efficacy of the model for determining why pairs of entities occur together in tweets.