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Robust Graph Condensation via Classification Complexity Mitigation

Neural Information Processing Systems

Graph condensation (GC) has gained significant attention for its ability to synthesize smaller yet informative graphs. However, existing studies often overlook the robustness of GC in scenarios where the original graph is corrupted. In such cases, we observe that the performance of GC deteriorates significantly, while existing robust graph learning technologies offer only limited effectiveness. Through both empirical investigation and theoretical analysis, we reveal that GC is inherently an intrinsic-dimension-reducing process, synthesizing a condensed graph with lower classification complexity. Although this property is critical for effective GC performance, it remains highly vulnerable to adversarial perturbations. To tackle this vulnerability and improve GC robustness, we adopt the geometry perspective of graph data manifold and propose a novel Manifold-constrained Robust Graph Condensation framework named MRGC. Specifically, we introduce three graph data manifold learning modules that guide the condensed graph to lie within a smooth, low-dimensional manifold with minimal class ambiguity, thereby preserving the classification complexity reduction capability of GC and ensuring robust performance under universal adversarial attacks. Extensive experiments demonstrate the robustness of MRGC across diverse attack scenarios.


Topology-aware Graph Diffusion Model with Persistent Homology

Neural Information Processing Systems

Generating realistic graphs faces challenges in estimating accurate distribution of graphs in an embedding space while preserving structural characteristics. However, existing graph generation methods primarily focus on approximating the joint distribution of nodes and edges, often overlooking topological properties such as connected components and loops, hindering accurate representation of global structures. To address this issue, we propose a Topology-Aware diffusion-based Graph Generation (TAGG), which aims to sample synthetic graphs that closely resemble the structural characteristics of the original graph based on persistent homology. Specifically, we suggest two core components: 1) Persistence Diagram Matching (PDM) loss which ensures high topological fidelity of generated graphs, and 2) Topology-aware Attention Module (TAM) which induces the denoising network to capture the homological characteristics of the original graphs. Extensive experiments on conventional graph benchmarks demonstrate the effectiveness of our approach indicating high generation performance across various metrics, while achieving closer alignment with the distribution of topological features observed in the original graphs.


Towards Pre-trained Graph Condensation via Optimal Transport

Neural Information Processing Systems

Graph condensation (GC) aims to distill the original graph into a small-scale graph, mitigating redundancy and accelerating GNN training. However, conventional GC approaches heavily rely on rigid GNNs and task-specific supervision. Such a dependency severely restricts their reusability and generalization across various tasks and architectures. In this work, we revisit the goal of ideal GC from the perspective of GNN optimization consistency, and then a generalized GC optimization objective is derived, by which those traditional GC methods can be viewed nicely as special cases of this optimization paradigm. Based on this, Pre-trained Graph Condensation (PreGC) via optimal transport is proposed to transcend the limitations of task-and architecture-dependent GC methods. Specifically, a hybrid-interval graph diffusion augmentation is presented to suppress the weak generalization ability of the condensed graph on particular architectures by enhancing the uncertainty of node states. Meanwhile, the matching between optimal graph transport plan and representation transport plan is tactfully established to maintain semantic consistencies across source graph and condensed graph spaces, thereby freeing graph condensation from task dependencies. To further facilitate the adaptation of condensed graphs to various downstream tasks, a traceable semantic harmonizer from source nodes to condensed nodes is proposed to bridge semantic associations through the optimized representation transport plan in pre-training. Extensive experiments verify the superiority and versatility of PreGC, demonstrating its task-independent nature and seamless compatibility with arbitrary GNNs.


Graph Coarsening with Message-Passing Guarantees

Neural Information Processing Systems

Graph coarsening aims to reduce the size of a large graph while preserving some of its key properties, which has been used in many applications to reduce computational load and memory footprint. For instance, in graph machine learning, training Graph Neural Networks (GNNs) on coarsened graphs leads to drastic savings in time and memory. However, GNNs rely on the Message-Passing (MP) paradigm, and classical spectral preservation guarantees for graph coarsening do not directly lead to theoretical guarantees when performing naive message-passing on the coarsened graph. In this work, we propose a new message-passing operation specific to coarsened graphs, which exhibit theoretical guarantees on the preservation of the propagated signal. Interestingly, and in a sharp departure from previous proposals, this operation on coarsened graphs is often oriented, even when the original graph is undirected. We conduct node classification tasks on synthetic and real data and observe improved results compared to performing naive message-passing on the coarsened graph.


In Distribution via Discrete Diffusion

Neural Information Processing Systems

The widespread deployment of Graph Neural Networks (GNNs) sparks significant interest in their explainability, which plays a vital role in model auditing and ensuring trustworthy graph learning. The objective of GNN explainability is to discern the underlying graph structures that have the most significant impact on model predictions. Ensuring that explanations generated are reliable necessitates consideration of the in-distribution property, particularly due to the vulnerability of GNNs to out-of-distribution data. Unfortunately, prevailing explainability methods tend to constrain the generated explanations to the structure of the original graph, thereby downplaying the significance of the in-distribution property and resulting in explanations that lack reliability. To address these challenges, we propose D4Explainer, a novel approach that provides in-distribution GNN explanations for both counterfactual and model-level explanation scenarios. The proposed D4Explainer incorporates generative graph distribution learning into the optimization objective, which accomplishes two goals: 1) generate a collection of diverse counterfactual graphs that conform to the in-distribution property for a given instance, and 2) identify the most discriminative graph patterns that contribute to a specific class prediction, thus serving as model-level explanations. It is worth mentioning that D4Explainer is the first unified framework that combines both counterfactual and model-level explanations. Empirical evaluations conducted on synthetic and real-world datasets provide compelling evidence of the state-ofthe-art performance achieved by D4Explainer in terms of explanation accuracy, faithfulness, diversity, and robustness. 1


Edge Representation Learning with Hypergraphs

Neural Information Processing Systems

Graph neural networks have recently achieved remarkable success in representing graph-structured data, with rapid progress in both the node embedding and graph pooling methods. Yet, they mostly focus on capturing information from the nodes considering their connectivity, and not much work has been done in representing the edges, which are essential components of a graph. However, for tasks such as graph reconstruction and generation, as well as graph classification tasks for which the edges are important for discrimination, accurately representing edges of a given graph is crucial to the success of the graph representation learning. To this end, we propose a novel edge representation learning framework based on Dual Hypergraph Transformation (DHT), which transforms the edges of a graph into the nodes of a hypergraph. This dual hypergraph construction allows us to apply message-passing techniques for node representations to edges. After obtaining edge representations from the hypergraphs, we then cluster or drop edges to obtain holistic graph-level edge representations. We validate our edge representation learning method with hypergraphs on diverse graph datasets for graph representation and generation performance, on which our method largely outperforms existing graph representation learning methods. Moreover, our edge representation learning and pooling method also largely outperforms state-of-theart graph pooling methods on graph classification, not only because of its accurate edge representation learning, but also due to its lossless compression of the nodes and removal of irrelevant edges for effective message-passing.1


GraphFew-shotLearningwith Task-specificStructures

Neural Information Processing Systems

Graph few-shot learning is of great importance among various graph learning tasks. Under thefew-shot scenario, models areoftenrequired toconduct classification givenlimited labeled samples. Existing graph few-shot learning methods typically leverage Graph Neural Networks (GNNs) and perform classification across a series of meta-tasks. Nevertheless, these methods generally rely on the original graph (i.e., the graph that the meta-task is sampled from) to learn node representations.