arXiv:2510.17153cs.SIcs.LG2025-10被引 1

提出高效搜索新高阶关系的方法,无需预设限制即可精准预测。

HyperSearch: Prediction of New Hyperedges through Unconstrained yet Efficient Search

  • 基于真实超图数据设计评分函数,结合可证明剪枝机制提升效率
  • 在10个真实数据集上超越现有方法,预测准确率显著提高
  • 适合需发现未知复杂互动的科研、生物或社交网络场景

复杂系统中的高阶互动(如科学合作、多蛋白复合物、多用户通信)常以超图建模,其中每条超边代表一组节点间的高阶关系。超边预测旨在识别缺失或未来可能形成的超边,具有推荐兴趣社群、预测合作、发现生物功能复合物等应用价值。然而,超边候选集(所有节点子集)规模庞大,导致穷举搜索不可行。现有方法依赖启发式采样或对超图结构的无根据假设。本文提出HyperSearch,一种基于搜索的超边预测算法,通过两个关键组件实现高效无约束候选评估:(1) 基于真实超图观察的实证评分函数;(2) 利用原评分函数的反单调上界进行搜索空间剪枝,该上界具备理论保证,确保被剪除的候选均劣于保留者。在五个领域共10个真实超图上的实验表明,HyperSearch持续优于当前最优基线,在预测训练集外新超边方面表现更优。

原文摘要 · Abstract (English)

Higher-order interactions (HOIs) in complex systems, such as scientific collaborations, multi-protein complexes, and multi-user communications, are commonly modeled as hypergraphs, where each hyperedge (i.e., a subset of nodes) represents an HOI among the nodes. Given a hypergraph, hyperedge prediction aims to identify hyperedges that are either missing or likely to form in the future, and it has broad applications, including recommending interest-based social groups, predicting collaborations, and uncovering functional complexes in biological systems. However, the vast search space of hyperedge candidates (i.e., all possible subsets of nodes) poses a significant computational challenge, making naive exhaustive search infeasible. As a result, existing approaches rely on either heuristic sampling to obtain constrained candidate sets or ungrounded assumptions on hypergraph structure to select promising hyperedges. In this work, we propose HyperSearch, a search-based algorithm for hyperedge prediction that efficiently evaluates unconstrained candidate sets, by incorporating two key components: (1) an empirically grounded scoring function derived from observations in real-world hypergraphs and (2) an efficient search mechanism, where we derive and use an anti-monotonic upper bound of the original scoring function (which is not antimonotonic) to prune the search space. This pruning comes with theoretical guarantees, ensuring that discarded candidates are never better than the kept ones w.r.t. the original scoring function. In extensive experiments on 10 real-world hypergraphs across five domains, HyperSearch consistently outperforms state-of-the-art baselines, achieving higher accuracy in predicting new (i.e., not in the training set) hyperedges.

超图高阶关系预测

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