arXiv:2505.17939cs.LG2025-05被引 2

提出可捕捉脑网络方向性高阶关系的新型神经网络,提升脑活动解码精度。

Directed Semi-Simplicial Learning with Applications to Brain Activity Decoding

  • 基于半单纯集构建定向高阶关系模型,突破传统图神经网络局限
  • 在脑动态分类任务中准确率比最优基线高27%,比消息传递GNN高50%
  • 适用于脑网络等具方向性复杂系统建模,适合神经科学与拓扑学习研究者

图神经网络擅长处理成对交互,但常忽略多向及层次关系。拓扑深度学习(TDL)通过组合拓扑空间弥补此缺陷,但现有TDL模型局限于无向设定,无法捕捉复杂系统中普遍存在的高阶有向模式,如脑网络中既丰富又功能重要的定向交互。为此,我们提出半单纯神经网络(SSNs),一种基于半单纯集的原理性TDL模型,能编码有向高阶模式及其方向关系。为提升可扩展性,引入路由-SSNs,以可学习方式动态选择最具信息量的关系。我们证明SSNs在表达能力上严格优于标准图和TDL模型。随后构建基于SSNs的脑动力学表征学习新框架,其可确证恢复已被证实能有效刻画脑活动的拓扑描述符。实验表明,SSNs在脑动态分类任务中达到当前最优性能,较次优模型提升最高达27%,较消息传递GNN提升最高达50%。结果凸显了原理性拓扑模型在结构化脑数据学习中的潜力,为TDL提供了独特的现实案例。我们在标准节点分类与边回归任务上也验证了其竞争力。代码与数据将公开。

原文摘要 · Abstract (English)

Graph Neural Networks (GNNs) excel at learning from pairwise interactions but often overlook multi-way and hierarchical relationships. Topological Deep Learning (TDL) addresses this limitation by leveraging combinatorial topological spaces. However, existing TDL models are restricted to undirected settings and fail to capture the higher-order directed patterns prevalent in many complex systems, e.g., brain networks, where such interactions are both abundant and functionally significant. To fill this gap, we introduce Semi-Simplicial Neural Networks (SSNs), a principled class of TDL models that operate on semi-simplicial sets -- combinatorial structures that encode directed higher-order motifs and their directional relationships. To enhance scalability, we propose Routing-SSNs, which dynamically select the most informative relations in a learnable manner. We prove that SSNs are strictly more expressive than standard graph and TDL models. We then introduce a new principled framework for brain dynamics representation learning, grounded in the ability of SSNs to provably recover topological descriptors shown to successfully characterize brain activity. Empirically, SSNs achieve state-of-the-art performance on brain dynamics classification tasks, outperforming the second-best model by up to 27%, and message passing GNNs by up to 50% in accuracy. Our results highlight the potential of principled topological models for learning from structured brain data, establishing a unique real-world case study for TDL. We also test SSNs on standard node classification and edge regression tasks, showing competitive performance. We will make the code and data publicly available.

拓扑学习脑科学图神经网络高阶关系

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