Oxytrees加速双部学习,训练速度提升30倍且保持高精度。
Oxytrees: Model Trees for Bipartite Learning
- 用代理矩阵压缩交互矩阵,降低计算复杂度。
- 新叶分配算法使预测时间显著缩短,整体训练快30倍。
- 适合需要快速建模双部关系的科研与工业场景。
双部学习旨在预测成对实例间的相互作用,已应用于药物-靶点互作、RNA-疾病关联和调控网络推断等领域。尽管研究广泛,现有方法常针对特定任务设计,泛化性差或存在可扩展性问题。为此,本文提出Oxytrees:基于代理的双聚类模型树。Oxytrees将交互矩阵压缩为行/列代理矩阵,大幅降低训练时间而不牺牲预测性能;提出新型叶分配算法,显著减少预测耗时;在叶节点使用克罗内克积核的线性模型,使树更深更浅,进一步加速训练。在15个数据集上,与当前最先进双聚类森林相比,训练时间最高提升30倍,在多数评估场景(尤其归纳设置)中表现竞争或更优。此外,提供直观的Python API,包含所有数据集、方法和评估指标,支持该领域可复现研究。
原文摘要 · Abstract (English)
Bipartite learning is a machine learning task that aims to predict interactions between pairs of instances. It has been applied to various domains, including drug-target interactions, RNA-disease associations, and regulatory network inference. Despite being widely investigated, current methods still present drawbacks, as they are often designed for a specific application and thus do not generalize to other problems or present scalability issues. To address these challenges, we propose Oxytrees: proxy-based biclustering model trees. Oxytrees compress the interaction matrix into row- and column-wise proxy matrices, significantly reducing training time without compromising predictive performance. We also propose a new leaf-assignment algorithm that significantly reduces the time taken for prediction. Finally, Oxytrees employ linear models using the Kronecker product kernel in their leaves, resulting in shallower trees and thus even faster training. Using 15 datasets, we compared the predictive performance of ensembles of Oxytrees with that of the current state-of-the-art. We achieved up to 30-fold improvement in training times compared to state-of-the-art biclustering forests, while demonstrating competitive or superior performance in most evaluation settings, particularly in the inductive setting. Finally, we provide an intuitive Python API to access all datasets, methods and evaluation measures used in this work, thus enabling reproducible research in this field.
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