基于三元组约束的神经网络降维方法
A Neural Network Dimensionality Reduction Method Based on Triplets Constraints
摘要: 与传统的降维和可视化方法(如t-SNE)相比,基于三元组约束的降维方法在保持数据全局结构方面表现优异。三元组约束是指三个数据点之间的约束,能够描述该三点的相对相似性。本文提出了一种基于三元组约束的降维模型(Trivis),该模型能充分利用Siamese神经网络(SNNs)来增强高维数据降维和可视化的局部结构保持能力。与现有的基于三元组约束的降维方法相比,Trivis模型有两方面的改进:一方面,采用了一种新的目标损失函数,涉及除法运算,有助于保持数据的局部结构;另一方面,对SNNs的输入模块进行了增强,允许每个锚点关联多个三元组,从而能更好地捕捉数据中的局部结构。实验结果表明,Trivis模型在保持局部和全局结构方面能取得良好的平衡,提供了一个稳健的高维数据降维可视化解决方案。
Abstract: Compared with traditional dimensionality reduction and visualization methods (e.g., t-SNE), triplet constraint-based dimensionality reduction methods excel in maintaining the global structure of the data. A triplet constraint is a constraint between three data points that describes the relative similarity of those three points. In this paper, we propose a triplet constraint-based dimensionality reduction model (Trivis) that can make full use of Siamese Neural Networks (SNNs) to enhance the local structure preservation of high-dimensional data reduction and visualization. Compared with existing triplet-constraint-based dimensionality reduction methods, the Trivis model has two improvements: on one hand, a new objective loss function involving a division operation is adopted, which helps to preserve the local structure of the data; on the other hand, enhancements are made to the input module of the SNNs, which allows multiple triplets to be associated with each anchor point, thus enabling better capture of the local structure in the data. The experimental results show that the Trivis model can strike a good balance between preserving local and global structure, providing a robust solution for downscaling visualization of high-dimensional data.
文章引用:翁德海. 基于三元组约束的神经网络降维方法[J]. 应用数学进展, 2025, 14(4): 584-600. https://doi.org/10.12677/aam.2025.144189

参考文献

[1] Tenenbaum, J.B., Silva, V.d. and Langford, J.C. (2000) A Global Geometric Framework for Nonlinear Dimensionality Reduction. Science, 290, 2319-2323. [Google Scholar] [CrossRef] [PubMed]
[2] Roweis, S.T. and Saul, L.K. (2000) Nonlinear Dimensionality Reduction by Locally Linear Embedding. Science, 290, 2323-2326. [Google Scholar] [CrossRef] [PubMed]
[3] Shlens, J. (2014) A Tutorial on Principal Component Analysis.
[4] Balakrishnama, S. and Ganapathiraju, A. (1998) Linear Discriminant Analysis—A Brief Tutorial. Institute for Signal and Information Processing, 1-8.
[5] Van der Maaten, L. and Hinton, G. (2008) Visualizing Data Using t-SNE. Journal of Machine Learning Research, 9, 2579-2605.
[6] Wang, Y., Huang, H., Rudin, C., Shaposhnik, Y., et al. (2021) Understanding How Dimension Reduction Tools Work: An Empirical Approach to Deciphering t-SNE, UMAP, TriMAP, and PaCMAP for Data Visualization. Journal of Machine Learning Research, 22, 1-73.
[7] Belkina, A.C., Ciccolella, C.O., Anno, R., Halpert, R., Spidlen, J. and Snyder-Cappione, J.E. (2019) Automated Optimized Parameters for T-Distributed Stochastic Neighbor Embedding Improve Visualization and Analysis of Large Datasets. Nature Communications, 10, Article No. 5415. [Google Scholar] [CrossRef] [PubMed]
[8] McInnes, L., Healy, J., Melville, J., et al. (2018) UMAP: Uniform Manifold Approximation and Projection for Dimension Reduction.
[9] Ghojogh, B., Ghodsi, A., Karray, F., Crowley, M., et al. (2021) Uniform Manifold Approximation and Projection (UMAP) and Its Variants: Tutorial and Survey.
[10] Amid, E. and Warmuth, M.K. (2019) TriMap: Large-Scale Dimensionality Reduction Using Triplets.
[11] Wattenberg, M., Viégas, F. and Johnson, I. (2016) How to Use T-Sne Effectively. Distill. [Google Scholar] [CrossRef
[12] Dorrity, M.W., Saunders, L.M., Queitsch, C., et al. (2020) Dimensionality Reduction by UMAP to Visualize Physical and Genetic Interactions. Nature Communications, 11, Article No. 1537. [Google Scholar] [CrossRef] [PubMed]
[13] Amid, E. and Warmuth, M.K. (2018) A More Globally Accurate Dimensionality Reduction Method Using Triplets.
[14] Kobak, D. and Linderman, G.C. (2021) Initialization Is Critical for Preserving Global Data Structure in Both t-SNE and UMAP. Nature Biotechnology, 39, 156-157. [Google Scholar] [CrossRef] [PubMed]
[15] Cao, H. and Wang, L. (2017) Advancing t-SNE’s Efficiency with Distance Metric Learning. Pattern Recognition Letters, 94, 62-67.
[16] Nguyen, L.H. and Holmes, S. (2019) Ten Quick Tips for Effective Dimensionality Reduction. PLOS Computational Biology, 15, e1006907. 7 [Google Scholar] [CrossRef
[17] Belkina, A.C. (2019) Automated Optimization of t-SNE. Bioinformatics.
[18] Van der Maaten, L. (2009) Learning a Parametric Embedding by Preserving Local Structure. The 12th International Conference on. Artificial Intelligence and Statistics, Clearwater Beach, 16-18 April 2009, 384-391.
[19] Sainburg, T., McInnes, L. and Gentner, T.Q. (2021) Parametric UMAP Embeddings for Representation and Semisupervised Learning. Neural Computation, 33, 2881-2907. [Google Scholar] [CrossRef] [PubMed]
[20] Szubert, B., Cole, J.E., Monaco, C. and Drozdov, I. (2019) Structure-Preserving Visualisation of High Dimensional Single-Cell Datasets. Scientific Reports, 9, Article No. 8914. [Google Scholar] [CrossRef] [PubMed]
[21] Koch, G., Zemel, R. and Salakhutdinov, R. (2015) Siamese Neural Networks for One-Shot Image Recognition. In: ICML Deep Learning Workshop, Volume 2, 1-30.
[22] Chicco, D. (2020) Siamese Neural Networks: An Overview. In: Cartwright, H., Ed., Artificial Neural Networks, Springer, 73-94. [Google Scholar] [CrossRef] [PubMed]
[23] Zhang, Z.J. (2018) Improved Adam Optimizer for Deep Neural Networks. 2018 IEEE/ACM 26th International Symposium on Quality of Service (IWQoS), Banff, 4-6 June 2018, 1-2. [Google Scholar] [CrossRef
[24] Maas, A.L., Hannun, A.Y. and Ng, A.Y. (2013) Rectifier Nonlinearities Improve Neural Network Acoustic Models. In: Proc. Icml, Vol. 30, p. 3.
[25] Xu, B., Wang, N., Chen, T., Li, M., et al. (2015) Empirical Evaluation of Rectified Activations in Convolutional Network.
[26] Borg, I. and Groenen, P.J.F. (2007) Modern Multidimensional Scaling: Theory and Applications. Springer Science & Business Media.
[27] Belkin, M. and Niyogi, P. (2002) Laplacian Eigenmaps and Spectral Techniques for Embedding and Clustering. In: Dietterich, T.G., Becker, S. and Ghahramani, Z., Eds., Advances in Neural Information Processing Systems 14, The MIT Press, 585-592. [Google Scholar] [CrossRef
[28] Tang, J., Liu, J., Zhang, M. and Mei, Q. (2016) Visualizing Large-Scale and High-Dimensional Data. Proceedings of the 25th International Conference on World Wide Web, Montréal, 11-15 April 2016, 287-297. [Google Scholar] [CrossRef
[29] Tang, J., Qu, M., Wang, M., Zhang, M., Yan, J. and Mei, Q. (2015) LINE: Large-Scale Information Network Embedding. Proceedings of the 24th International Conference on World Wide Web, Florence, 18-22 May 2015, 1067-1077. [Google Scholar] [CrossRef
[30] Hinton, G.E. and Roweis, S. (2002) Stochastic Neighbor Embedding. Proceedings of the 16th International Conference on Neural Information Processing Systems, 1 January 2002, 857-864.
[31] Lai, C., Kuo, M., Lien, Y., Su, K. and Wang, Y. (2022) Parametric Dimension Reduction by Preserving Local Structure. 2022 IEEE Visualization and Visual Analytics (VIS), Oklahoma City, 16-21 October 2022, 75-79. [Google Scholar] [CrossRef
[32] Fischer, A. and Igel, C. (2014) Training Restricted Boltzmann Machines: An Introduction. Pattern Recognition, 47, 25-39. [Google Scholar] [CrossRef
[33] van der Maaten, L. and Weinberger, K. (2012) Stochastic Triplet Embedding. 2012 IEEE International Workshop on Machine Learning for Signal Processing, Santander, 23-26 September 2012, 1-6.
[34] Wilber, M.J., Kwak, I.S., Kriegman, D. and Belongie, S. (2015) Learning Concept Embeddings with Combined Human-Machine Expertise. 2015 IEEE International Conference on Computer Vision (ICCV), Santiago, 7-13 December 2015, 981-989. [Google Scholar] [CrossRef
[35] Zelnik-Manor, L. and Perona, P. (2004) Self-Tuning Spectral Clustering. Proceedings of the 18th International Conference on Neural Information Processing Systems, Vancouver, 1 December 2004, 1601-1608.
[36] Hoffer, E. and Ailon, N. (2015) Deep Metric Learning Using Triplet Network. In: Feragen, A., Pelillo, M. and Loog, M., Eds., Similarity-Based Pattern Recognition, Springer International Publishing, 84-92. [Google Scholar] [CrossRef
[37] Bromley, J., Bentz, J.W., Bottou, L., Guyon, I., Lecun, Y., Moore, C., et al. (1994) Signature Verification Using a “Siamese” Time Delay Neural Network. In: Guyon, I. and Wang, P.S.P., Eds., Advances in Pattern Recognition Systems Using Neural Network Technologies, World Scientific, 25-44. [Google Scholar] [CrossRef
[38] Hermans, A., Beyer, L. and Leibe, B. (2017) In Defense of the Triplet Loss for Person Re-Identification.
[39] Wang, B., Zhu, J., Pierson, E., Ramazzotti, D. and Batzoglou, S. (2017) Visualization and Analysis of Single-Cell RNA-seq Data by Kernel-Based Similarity Learning. Nature Methods, 14, 414-416. [Google Scholar] [CrossRef] [PubMed]