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Mixture of Experts Meets Decoupled Message Passing: Towards General and Adaptive Node Classification (2412.08193v2)

Published 11 Dec 2024 in cs.LG

Abstract: Graph neural networks excel at graph representation learning but struggle with heterophilous data and long-range dependencies. And graph transformers address these issues through self-attention, yet face scalability and noise challenges on large-scale graphs. To overcome these limitations, we propose GNNMoE, a universal model architecture for node classification. This architecture flexibly combines fine-grained message-passing operations with a mixture-of-experts mechanism to build feature encoding blocks. Furthermore, by incorporating soft and hard gating layers to assign the most suitable expert networks to each node, we enhance the model's expressive power and adaptability to different graph types. In addition, we introduce adaptive residual connections and an enhanced FFN module into GNNMoE, further improving the expressiveness of node representation. Extensive experimental results demonstrate that GNNMoE performs exceptionally well across various types of graph data, effectively alleviating the over-smoothing issue and global noise, enhancing model robustness and adaptability, while also ensuring computational efficiency on large-scale graphs.

Summary

  • The paper introduces GNNMoE, a novel graph neural network architecture that combines mixture-of-experts with decoupled message passing for adaptive and general node classification.
  • GNNMoE employs adaptive expert selection via gating layers, adaptive residual connections, and an enhanced feed-forward network to handle diverse graph types and challenges like over-smoothing.
  • Experimental results show GNNMoE outperforms state-of-the-art models on various graph datasets, demonstrating superior accuracy, scalability, and robustness against over-smoothing.

An Analytical Overview of GNNMoE: A Convergence of Mixture-of-Experts and Decoupled Message Passing for Node Classification

In the domain of graph representation learning, Graph Neural Networks (GNNs) have established their efficacy in handling homophilous graph data. However, they face notable challenges when confronted with heterophilous datasets, long-range dependencies, and the notorious over-smoothing issue. Meanwhile, Graph Transformers (GTs) have been proposed to counter some limitations inherent in GNNs through self-attention mechanisms. Despite their strengths, GTs grapple with scalability issues and the introduction of noise in large-scale graphs. The paper under review introduces GNNMoE, an innovative universal model architecture designed to address these limitations, pushing the envelope in general and adaptive node classification tasks.

Core Contributions

GNNMoE presents a novel architecture by integrating a mixture-of-experts (MoE) mechanism with decoupled message-passing operations. This integration seeks to maximize model flexibility, express the heterogeneity of graph types, and address specific challenges such as over-smoothing and global noise.

  • Expert Selection Mechanism: The introduction of soft and hard gating layers is a pivotal aspect of GNNMoE, enabling adaptive selection of expert networks tailored to each node's characteristics. This allows the model to fine-tune its approach for different graph types dynamically.
  • Adaptive Residual Connections: This feature is incorporated to enhance the robustness of node representations, allowing for efficient information propagation without sacrificing depth or computational efficiency.
  • Enhanced Feed-Forward Network Module: By drawing inspiration from Transformer architecture, the architecture refines the node representation process, substantially boosting GNNMoE's expressiveness and resilience across diverse graph structures.

Experimental Analysis

Comprehensive experimental evaluations illustrate that GNNMoE consistently surpasses existing methods on a spectrum of graph datasets. The model shows particular prowess in avoiding the over-smoothing problem even as the network deepens, a frequent challenge for traditional GNNs. Moreover, it maintains computational efficiency and adaptability across both homophilous and heterophilous graph types.

The paper's comparison with various state-of-the-art baselines, such as vanilla models (e.g., GCN, GAT), heterophilous GNNs, and advanced Transformer-based graph models, underscores GNNMoE's superior performance in both accuracy and scalability.

Implications and Future Work

GNNMoE stands out as a compelling approach for node classification with its architecture that effectively balances graph processing demands and model complexity. Its success suggests substantial potential for broader applications beyond the current focus on node classification, potentially extending to other graph-based tasks such as link prediction and graph classification.

Future developments could focus on optimizing gating network inputs and structures, thereby enhancing the model's capacity to manage complex, large-scale graph domains even more effectively. As the field of AI progresses, such methodologies that intelligently integrate flexibility, scalability, and specificity stand poised to spearhead advancements across various sectors that leverage graph-structured data.

Conclusion

In an increasingly data-driven world, the capability to analyze and interpret complex graph data structures is invaluable. GNNMoE emerges as a significant stride forward in graph representation learning, providing researchers and practitioners with a powerful tool to tackle the inherent challenges of node classification across diverse graph environments. Through its innovative architecture and adaptive mechanisms, GNNMoE promises to catalyze progress in graph-based AI applications, setting new benchmarks for performance and scalability.

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