arXiv:2509.07681cs.LGcs.HC2025-09

提出一种快速灵活的邻居嵌入算法,支持任意维度且交互式调参。

FUnc-SNE: A flexible, Fast, and Unconstrained algorithm for neighbour embeddings

  • 基于迭代近似最近邻搜索加速计算,每轮开销小。
  • 在保持结构细节的同时实现高速嵌入,支持任意目标维度。
  • 适合交互式数据探索,可实时响应参数调整,适用于多场景机器学习。

邻居嵌入(NE)将高维数据映射到低维空间,常用于数据可视化。传统方法面临速度与质量的权衡:粗略近似(如UMAP)虽快但结构保真度差;精细近似(如FIt-SNE、BH-t-SNE)保留结构但速度慢,且仅限2或3维,限制了应用范围。本文提出FUNc-SNE,通过一种新型迭代近似最近邻搜索机制,在每轮迭代中仅需少量计算,即可在不固定嵌入维度的前提下,同时实现高质量结构保留和高计算效率。该方法专为交互式数据探索设计,摒弃传统两阶段流程,支持在高维侧参数调整时即时反馈视觉结果。实验基于公开的GPU加速图形界面,验证了其在速度、结构灵活性及跨任务扩展性上的优势,展现了在更广泛机器学习场景中的潜力。

原文摘要 · Abstract (English)

Neighbour embeddings (NE) allow the representation of high dimensional datasets into lower dimensional spaces and are often used in data visualisation. In practice, accelerated approximations are employed to handle very large datasets. Accelerating NE is challenging, and two main directions have been explored: very coarse approximations based on negative sampling (as in UMAP) achieve high effective speed but may lack quality in the extracted structures; less coarse approximations, as used in FIt-SNE or BH-t-SNE, offer better structure preservation at the cost of speed, while also restricting the target dimensionality to 2 or 3, limiting NE to visualisation. In some variants, the precision of these costlier accelerations also enables finer-grained control on the extracted structures through dedicated hyperparameters. This paper proposes to bridge the gab between both approaches by introducing a novel way to accelerate NE, requiring a small number of computations per iteration while maintaining good fine-grained structure preservation and flexibility through hyperparameter tuning, without limiting the dimensionality of the embedding space. The method was designed for interactive exploration of data; as such, it abandons the traditional two-phased approach of other NE methods, allowing instantaneous visual feedback when changing hyperparameters, even when these control processes happening on the high-dimensional side of the computations. Experiments using a publicly available, GPU accelerated GUI integration of the method show promising results in terms of speed, flexibility in the structures getting extracted, and show potential uses in broader machine learning contexts with minimal algorithmic modifications. Central to this algorithm is a novel approach to iterative approximate nearest neighbour search, which shows promising results compared to nearest neighbour descent.

嵌入算法可视化交互式近邻搜索

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