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 kipf and welling


Sparse Bayesian Message Passing under Structural Uncertainty

arXiv.org Machine Learning

Semi-supervised learning on real-world graphs is frequently challenged by heterophily, where the observed graph is unreliable or label-disassortative. Many existing graph neural networks either rely on a fixed adjacency structure or attempt to handle structural noise through regularization. In this work, we explicitly capture structural uncertainty by modeling a posterior distribution over signed adjacency matrices, allowing each edge to be positive, negative, or absent. We propose a sparse signed message passing network that is naturally robust to edge noise and heterophily, which can be interpreted from a Bayesian perspective. By combining (i) posterior marginalization over signed graph structures with (ii) sparse signed message aggregation, our approach offers a principled way to handle both edge noise and heterophily. Experimental results demonstrate that our method outperforms strong baseline models on heterophilic benchmarks under both synthetic and real-world structural noise. We provide an anonymous repository at: https://anonymous.4open.science/r/SpaM-F2C8



Reviews: Understanding the Representation Power of Graph Neural Networks in Learning Graph Topology

Neural Information Processing Systems

This paper presents a theoretical analysis of the representational power of graph convolutional network (GCN) models. It is shown that these models are in many cases incapable of learning topological features of the graph such as graph moments, and these shortcomings are used to motivate new GCN architectures combining several propagation rules and incorporating multiple residual connections. The analysis seems to be sound (albeit distant to my area of expertise), and the obtained emprical results seem to support it. I believe that this paper could serve to better improve understanding of GCNs' representational power, and therefore I would vote for (marginal) acceptance. I have a few comments that could be used to improve the work: - In its current form, it is somewhat unclear what "GCN" exactly refers to.


Echo State Networks for Spatio-Temporal Area-Level Data

arXiv.org Artificial Intelligence

Spatio-temporal area-level datasets play a critical role in official statistics, providing valuable insights for policy-making and regional planning. Accurate modeling and forecasting of these datasets can be extremely useful for policymakers to develop informed strategies for future planning. Echo State Networks (ESNs) are efficient methods for capturing nonlinear temporal dynamics and generating forecasts. However, ESNs lack a direct mechanism to account for the neighborhood structure inherent in area-level data. Ignoring these spatial relationships can significantly compromise the accuracy and utility of forecasts. In this paper, we incorporate approximate graph spectral filters at the input stage of the ESN, thereby improving forecast accuracy while preserving the model's computational efficiency during training. We demonstrate the effectiveness of our approach using Eurostat's tourism occupancy dataset and show how it can support more informed decision-making in policy and planning contexts.


DPGAN: A Dual-Path Generative Adversarial Network for Missing Data Imputation in Graphs

arXiv.org Artificial Intelligence

Missing data imputation poses a paramount challenge when dealing with graph data. Prior works typically are based on feature propagation or graph autoencoders to address this issue. However, these methods usually encounter the over-smoothing issue when dealing with missing data, as the graph neural network (GNN) modules are not explicitly designed for handling missing data. This paper proposes a novel framework, called Dual-Path Generative Adversarial Network (DPGAN), that can deal simultaneously with missing data and avoid over-smoothing problems. The crux of our work is that it admits both global and local representations of the input graph signal, which can capture the long-range dependencies. It is realized via our proposed generator, consisting of two key components, i.e., MLPUNet++ and GraphUNet++. Our generator is trained with a designated discriminator via an adversarial process. In particular, to avoid assessing the entire graph as did in the literature, our discriminator focuses on the local subgraph fidelity, thereby boosting the quality of the local imputation. The subgraph size is adjustable, allowing for control over the intensity of adversarial regularization. Comprehensive experiments across various benchmark datasets substantiate that DPGAN consistently rivals, if not outperforms, existing state-of-the-art imputation algorithms. The code is provided at \url{https://github.com/momoxia/DPGAN}.


Why Attention Graphs Are All We Need: Pioneering Hierarchical Classification of Hematologic Cell Populations with LeukoGraph

arXiv.org Artificial Intelligence

In the complex landscape of hematologic samples such as peripheral blood or bone marrow, cell classification, delineating diverse populations into a hierarchical structure, presents profound challenges. This study presents LeukoGraph, a recently developed framework designed explicitly for this purpose employing graph attention networks (GATs) to navigate hierarchical classification (HC) complexities. Notably, LeukoGraph stands as a pioneering effort, marking the application of graph neural networks (GNNs) for hierarchical inference on graphs, accommodating up to one million nodes and millions of edges, all derived from flow cytometry data. LeukoGraph intricately addresses a classification paradigm where for example four different cell populations undergo flat categorization, while a fifth diverges into two distinct child branches, exemplifying the nuanced hierarchical structure inherent in complex datasets. The technique is more general than this example. A hallmark achievement of LeukoGraph is its F-score of 98%, significantly outclassing prevailing state-of-the-art methodologies. Crucially, LeukoGraph's prowess extends beyond theoretical innovation, showcasing remarkable precision in predicting both flat and hierarchical cell types across flow cytometry datasets from 30 distinct patients. This precision is further underscored by LeukoGraph's ability to maintain a correct label ratio, despite the inherent challenges posed by hierarchical classifications.


Infinite-Horizon Graph Filters: Leveraging Power Series to Enhance Sparse Information Aggregation

arXiv.org Artificial Intelligence

Graph Neural Networks (GNNs) have shown considerable effectiveness in a variety of graph learning tasks, particularly those based on the message-passing approach in recent years. However, their performance is often constrained by a limited receptive field, a challenge that becomes more acute in the presence of sparse graphs. In light of the power series, which possesses infinite expansion capabilities, we propose a novel Graph Power Filter Neural Network (GPFN) that enhances node classification by employing a power series graph filter to augment the receptive field. Concretely, our GPFN designs a new way to build a graph filter with an infinite receptive field based on the convergence power series, which can be analyzed in the spectral and spatial domains. Besides, we theoretically prove that our GPFN is a general framework that can integrate any power series and capture long-range dependencies. Finally, experimental results on three datasets demonstrate the superiority of our GPFN over state-of-the-art baselines.


Determinate Node Selection for Semi-supervised Classification Oriented Graph Convolutional Networks

arXiv.org Artificial Intelligence

Graph Convolutional Networks (GCNs) have been proved successful in the field of semi-supervised node classification by extracting structural information from graph data. However, the random selection of labeled nodes used by GCNs may lead to unstable generalization performance of GCNs. In this paper, we propose an efficient method for the deterministic selection of labeled nodes: the Determinate Node Selection (DNS) algorithm. The DNS algorithm identifies two categories of representative nodes in the graph: typical nodes and divergent nodes. These labeled nodes are selected by exploring the structure of the graph and determining the ability of the nodes to represent the distribution of data within the graph. The DNS algorithm can be applied quite simply on a wide range of semi-supervised graph neural network models for node classification tasks. Through extensive experimentation, we have demonstrated that the incorporation of the DNS algorithm leads to a remarkable improvement in the average accuracy of the model and a significant decrease in the standard deviation, as compared to the original method.


Deepened Graph Auto-Encoders Help Stabilize and Enhance Link Prediction

arXiv.org Artificial Intelligence

Graph neural networks have been used for a variety of learning tasks, such as link prediction, node classification, and node clustering. Among them, link prediction is a relatively under-studied graph learning task, with current state-of-the-art models based on one- or two-layer of shallow graph auto-encoder (GAE) architectures. In this paper, we focus on addressing a limitation of current methods for link prediction, which can only use shallow GAEs and variational GAEs, and creating effective methods to deepen (variational) GAE architectures to achieve stable and competitive performance. Our proposed methods innovatively incorporate standard auto-encoders (AEs) into the architectures of GAEs, where standard AEs are leveraged to learn essential, low-dimensional representations via seamlessly integrating the adjacency information and node features, while GAEs further build multi-scaled low-dimensional representations via residual connections to learn a compact overall embedding for link prediction. Empirically, extensive experiments on various benchmarking datasets verify the effectiveness of our methods and demonstrate the competitive performance of our deepened graph models for link prediction. Theoretically, we prove that our deep extensions inclusively express multiple polynomial filters with different orders.


Graph-MLP: Node Classification without Message Passing in Graph

arXiv.org Artificial Intelligence

Graph Neural Network (GNN) has been demonstrated its effectiveness in dealing with non-Euclidean structural data. Both spatial-based and spectral-based GNNs are relying on adjacency matrix to guide message passing among neighbors during feature aggregation. Recent works have mainly focused on powerful message passing modules, however, in this paper, we show that none of the message passing modules is necessary. Instead, we propose a pure multilayer-perceptron-based framework, Graph-MLP with the supervision signal leveraging graph structure, which is sufficient for learning discriminative node representation. In model-level, Graph-MLP only includes multi-layer perceptrons, activation function, and layer normalization. In the loss level, we design a neighboring contrastive (NContrast) loss to bridge the gap between GNNs and MLPs by utilizing the adjacency information implicitly. This design allows our model to be lighter and more robust when facing large-scale graph data and corrupted adjacency information. Extensive experiments prove that even without adjacency information in testing phase, our framework can still reach comparable and even superior performance against the state-of-the-art models in the graph node classification task.