Zhenhao Huang

Li Sun, Zhenhao Huang, Hua Wu et al.

Graph Neural Networks (GNNs) have shown great power for learning and mining on graphs, and Graph Structure Learning (GSL) plays an important role in boosting GNNs with a refined graph. In the literature, most GSL solutions either primarily focus on structure refinement with task-specific supervision (i.e., node classification), or overlook the inherent weakness of GNNs themselves (e.g., over-squashing), resulting in suboptimal performance despite sophisticated designs. In light of these limitations, we propose to study self-supervised graph structure-feature co-refinement for effectively alleviating the issue of over-squashing in typical GNNs. In this paper, we take a fundamentally different perspective of the Ricci curvature in Riemannian geometry, in which we encounter the challenges of modeling, utilizing and computing Ricci curvature. To tackle these challenges, we present a self-supervised Riemannian model, DeepRicci. Specifically, we introduce a latent Riemannian space of heterogeneous curvatures to model various Ricci curvatures, and propose a gyrovector feature mapping to utilize Ricci curvature for typical GNNs. Thereafter, we refine node features by geometric contrastive learning among different geometric views, and simultaneously refine graph structure by backward Ricci flow based on a novel formulation of differentiable Ricci curvature. Finally, extensive experiments on public datasets show the superiority of DeepRicci, and the connection between backward Ricci flow and over-squashing. Codes of our work are given in https://github.com/RiemanGraph/.

Li Sun, Qiqi Wan, Suyang Zhou et al.

Graphs are ubiquitous, and learning on graphs has become a cornerstone in artificial intelligence and data mining communities. Unlike pixel grids in images or sequential structures in language, graphs exhibit a typical non-Euclidean structure with complex interactions among the objects. This paper argues that Riemannian geometry provides a principled and necessary foundation for graph representation learning, and that Riemannian graph learning should be viewed as a unifying paradigm rather than a collection of isolated techniques. While recent studies have explored the integration of graph learning and Riemannian geometry, most existing approaches are limited to a narrow class of manifolds, particularly hyperbolic spaces, and often adopt extrinsic manifold formulations. We contend that the central mission of Riemannian graph learning is to endow graph neural networks with intrinsic manifold structures, which remains underexplored. To advance this perspective, we identify key conceptual and methodological gaps in existing approaches and outline a structured research agenda along three dimensions: manifold type, neural architecture, and learning paradigm. We further discuss open challenges, theoretical foundations, and promising directions that are critical for unlocking the full potential of Riemannian graph learning. This paper aims to provide a coherent viewpoint and to stimulate broader exploration of Riemannian geometry as a foundational framework for future graph learning research.

Li Sun, Zhenhao Huang, Zixi Wang et al.

Graphs are typical non-Euclidean data of complex structures. In recent years, Riemannian graph representation learning has emerged as an exciting alternative to Euclidean ones. However, Riemannian methods are still in an early stage: most of them present a single curvature (radius) regardless of structural complexity, suffer from numerical instability due to the exponential/logarithmic map, and lack the ability to capture motif regularity. In light of the issues above, we propose the problem of \emph{Motif-aware Riemannian Graph Representation Learning}, seeking a numerically stable encoder to capture motif regularity in a diverse-curvature manifold without labels. To this end, we present a novel Motif-aware Riemannian model with Generative-Contrastive learning (MotifRGC), which conducts a minmax game in Riemannian manifold in a self-supervised manner. First, we propose a new type of Riemannian GCN (D-GCN), in which we construct a diverse-curvature manifold by a product layer with the diversified factor, and replace the exponential/logarithmic map by a stable kernel layer. Second, we introduce a motif-aware Riemannian generative-contrastive learning to capture motif regularity in the constructed manifold and learn motif-aware node representation without external labels. Empirical results show the superiority of MofitRGC.

Li Sun, Zhenhao Huang, Hao Peng et al.

Graph clustering is a fundamental problem in machine learning. Deep learning methods achieve the state-of-the-art results in recent years, but they still cannot work without predefined cluster numbers. Such limitation motivates us to pose a more challenging problem of graph clustering with unknown cluster number. We propose to address this problem from a fresh perspective of graph information theory (i.e., structural information). In the literature, structural information has not yet been introduced to deep clustering, and its classic definition falls short of discrete formulation and modeling node features. In this work, we first formulate a differentiable structural information (DSI) in the continuous realm, accompanied by several theoretical results. By minimizing DSI, we construct the optimal partitioning tree where densely connected nodes in the graph tend to have the same assignment, revealing the cluster structure. DSI is also theoretically presented as a new graph clustering objective, not requiring the predefined cluster number. Furthermore, we design a neural LSEnet in the Lorentz model of hyperbolic space, where we integrate node features to structural information via manifold-valued graph convolution. Extensive empirical results on real graphs show the superiority of our approach.

Li Sun, Zhenhao Huang, Suyang Zhou et al.

The foundation model has heralded a new era in artificial intelligence, pretraining a single model to offer cross-domain transferability on different datasets. Graph neural networks excel at learning graph data, the omnipresent non-Euclidean structure, but often lack the generalization capacity. Hence, graph foundation model is drawing increasing attention, and recent efforts have been made to leverage Large Language Models. On the one hand, existing studies primarily focus on text-attributed graphs, while a wider range of real graphs do not contain fruitful textual attributes. On the other hand, the sequential graph description tailored for the Large Language Model neglects the structural complexity, which is a predominant characteristic of the graph. Such limitations motivate an important question: Can we go beyond Large Language Models, and pretrain a universal model to learn the structural knowledge for any graph? The answer in the language or vision domain is a shared vocabulary. We observe the fact that there also exist shared substructures underlying graph domain, and thereby open a new opportunity of graph foundation model with structural vocabulary. The key innovation is the discovery of a simple yet effective structural vocabulary of trees and cycles, and we explore its inherent connection to Riemannian geometry. Herein, we present a universal pretraining model, RiemannGFM. Concretely, we first construct a novel product bundle to incorporate the diverse geometries of the vocabulary. Then, on this constructed space, we stack Riemannian layers where the structural vocabulary, regardless of specific graph, is learned in Riemannian manifold offering cross-domain transferability. Extensive experiments show the effectiveness of RiemannGFM on a diversity of real graphs.

Li Sun, Zhenhao Huang, Ming Zhang et al.

Message Passing Neural Networks (MPNNs) is the building block of graph foundation models, but fundamentally suffer from oversmoothing and oversquashing. There has recently been a surge of interest in fixing both issues. Existing efforts primarily adopt global approaches, which may be beneficial in some regions but detrimental in others, ultimately leading to the suboptimal expressiveness. In this paper, we begin by revisiting oversquashing through a global measure -- spectral gap $λ$ -- and prove that the increase of $λ$ leads to gradient vanishing with respect to the input features, thereby undermining the effectiveness of message passing. Motivated by such theoretical insights, we propose a \textbf{local} approach that adaptively adjusts message passing based on local structures. To achieve this, we connect local Riemannian geometry with MPNNs, and establish a novel nonhomogeneous boundary condition to address both oversquashing and oversmoothing. Building on the Robin condition, we design a GBN network with local bottleneck adjustment, coupled with theoretical guarantees. Extensive experiments on homophilic and heterophilic graphs show the expressiveness of GBN. Furthermore, GBN does not exhibit performance degradation even when the network depth exceeds $256$ layers.

Li Sun, Zhenhao Huang, Yujie Wang et al.

Graph clustering is a longstanding topic in machine learning. In recent years, deep learning methods have achieved encouraging results, but they still require predefined cluster numbers K, and typically struggle with imbalanced graphs, especially in identifying minority clusters. The limitations motivate us to study a challenging yet practical problem: deep graph clustering without K considering the imbalance in reality. We approach this problem from a fresh perspective of information theory (i.e., structural information). In the literature, structural information has rarely been touched in deep clustering, and the classic definition falls short in its discrete formulation, neglecting node attributes and exhibiting prohibitive complexity. In this paper, we first establish a new Differentiable Structural Information, generalizing the discrete formalism to continuous realm, so that the optimal partitioning tree, revealing the cluster structure, can be created by the gradient backpropagation. Theoretically, we demonstrate its capability in clustering without requiring K and identifying the minority clusters in imbalanced graphs, while reducing the time complexity to O(N) w.r.t. the number of nodes. Subsequently, we present a novel IsoSEL framework for deep graph clustering, where we design a hyperbolic neural network to learn the partitioning tree in the Lorentz model of hyperbolic space, and further conduct Lorentz Tree Contrastive Learning with isometric augmentation. As a result, the partitioning tree incorporates node attributes via mutual information maximization, while the cluster assignment is refined by the proposed tree contrastive learning. Extensive experiments on five benchmark datasets show the IsoSEL outperforms 14 recent baselines by an average of +1.3% in NMI.