Wang, Yingfan
Dimension Reduction with Locally Adjusted Graphs
Wang, Yingfan, Sun, Yiyang, Huang, Haiyang, Rudin, Cynthia
Dimension reduction (DR) algorithms have proven to be extremely useful for gaining insight into large-scale high-dimensional datasets, particularly finding clusters in transcriptomic data. The initial phase of these DR methods often involves converting the original high-dimensional data into a graph. In this graph, each edge represents the similarity or dissimilarity between pairs of data points. However, this graph is frequently suboptimal due to unreliable high-dimensional distances and the limited information extracted from the high-dimensional data. This problem is exacerbated as the dataset size increases. If we reduce the size of the dataset by selecting points for a specific sections of the embeddings, the clusters observed through DR are more separable since the extracted subgraphs are more reliable. In this paper, we introduce LocalMAP, a new dimensionality reduction algorithm that dynamically and locally adjusts the graph to address this challenge. By dynamically extracting subgraphs and updating the graph on-the-fly, LocalMAP is capable of identifying and separating real clusters within the data that other DR methods may overlook or combine. We demonstrate the benefits of LocalMAP through a case study on biological datasets, highlighting its utility in helping users more accurately identify clusters for real-world problems.
Navigating the Effect of Parametrization for Dimensionality Reduction
Huang, Haiyang, Wang, Yingfan, Rudin, Cynthia
Parametric dimensionality reduction methods have gained prominence for their ability to generalize to unseen datasets, an advantage that traditional approaches typically lack. Despite their growing popularity, there remains a prevalent misconception among practitioners about the equivalence in performance between parametric and non-parametric methods. Here, we show that these methods are not equivalent -- parametric methods retain global structure but lose significant local details. To explain this, we provide evidence that parameterized approaches lack the ability to repulse negative pairs, and the choice of loss function also has an impact. Addressing these issues, we developed a new parametric method, ParamRepulsor, that incorporates Hard Negative Mining and a loss function that applies a strong repulsive force. This new method achieves state-of-the-art performance on local structure preservation for parametric methods without sacrificing the fidelity of global structural representation. Our code is available at https://github.com/hyhuang00/ParamRepulsor.
Understanding How Dimension Reduction Tools Work: An Empirical Approach to Deciphering t-SNE, UMAP, TriMAP, and PaCMAP for Data Visualization
Wang, Yingfan, Huang, Haiyang, Rudin, Cynthia, Shaposhnik, Yaron
Dimension reduction (DR) techniques such as t-SNE, UMAP, and TriMAP have demonstrated impressive visualization performance on many real world datasets. One tension that has always faced these methods is the trade-off between preservation of global structure and preservation of local structure: these methods can either handle one or the other, but not both. In this work, our main goal is to understand what aspects of DR methods are important for preserving both local and global structure: it is difficult to design a better method without a true understanding of the choices we make in our algorithms and their empirical impact on the lower-dimensional embeddings they produce. Towards the goal of local structure preservation, we provide several useful design principles for DR loss functions based on our new understanding of the mechanisms behind successful DR methods. Towards the goal of global structure preservation, our analysis illuminates that the choice of which components to preserve is important. We leverage these insights to design a new algorithm for DR, called Pairwise Controlled Manifold Approximation Projection (PaCMAP), which preserves both local and global structure. Our work provides several unexpected insights into what design choices both to make and avoid when constructing DR algorithms.