arXiv:2512.03394cs.LGcs.AI2025-12被引 3

用高维向量计算实现高效图分类,性能接近甚至超越图神经网络。

VS-Graph: Scalable and Efficient Graph Classification Using Hyperdimensional Computing

  • 基于高维向量空间设计新机制,无需反向传播即可学习节点特征。
  • 在MUTAG和DD数据集上比现有高维方法提升4-5%准确率,训练速度加快450倍。
  • 128维超低维度仍保持高精度,适合边缘与类脑硬件部署。

图分类是分子属性预测到材料设计等领域的基础任务。尽管图神经网络(GNN)通过消息传递学习丰富表示并取得优异性能,但其计算开销大,限制了在资源受限设备上的扩展性。高维计算(HDC),又称向量符号架构(VSA),提供了一种轻量级、类脑的替代方案,但现有基于HDC的图方法通常难以达到GNN的预测性能。本文提出VS-Graph,一种向量符号图学习框架,缩小了HDC效率与消息传递表达能力之间的差距。该方法引入了基于拓扑的脉冲扩散机制进行节点识别,以及完全在高维向量空间内实现的关联消息传递机制,用于多跳邻域聚合。无需梯度优化或反向传播,本方法在标准基准(如MUTAG和DD)上达到与现代GNN相当的准确率,较之前沿HDC基线提升4-5%。同时在多个数据集上表现匹配或超越GNN基线,训练加速最高达450倍。此外,即使在超向量维度压缩至D=128时,仍保持高精度,展现出对极端维度压缩的鲁棒性,为边缘与类脑硬件上的超高效执行铺平道路。

原文摘要 · Abstract (English)

Graph classification is a fundamental task in domains ranging from molecular property prediction to materials design. While graph neural networks (GNNs) achieve strong performance by learning expressive representations via message passing, they incur high computational costs, limiting their scalability and deployment on resource-constrained devices. Hyperdimensional Computing (HDC), also known as Vector Symbolic Architectures (VSA), offers a lightweight, brain-inspired alternative, yet existing HDC-based graph methods typically struggle to match the predictive performance of GNNs. In this work, we propose VS-Graph, a vector-symbolic graph learning framework that narrows the gap between the efficiency of HDC and the expressive power of message passing. VS-Graph introduces a Spike Diffusion mechanism for topology-driven node identification and an Associative Message Passing scheme for multi-hop neighborhood aggregation entirely within the high-dimensional vector space. Without gradient-based optimization or backpropagation, our method achieves competitive accuracy with modern GNNs, outperforming the prior HDC baseline by 4-5% on standard benchmarks such as MUTAG and DD. It also matches or exceeds the performance of the GNN baselines on several datasets while accelerating the training by a factor of up to 450x. Furthermore, VS-Graph maintains high accuracy even with the hypervector dimensionality reduced to D=128, demonstrating robustness under aggressive dimension compression and paving the way for ultra-efficient execution on edge and neuromorphic hardware.

图神经网络高维计算边缘推理

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