LGMay 11, 2023
Spectral Clustering on Large Datasets: When Does it Work? Theory from Continuous Clustering and Density Cheeger-BuserTimothy Chu, Gary Miller, Noel Walkington
Spectral clustering is one of the most popular clustering algorithms that has stood the test of time. It is simple to describe, can be implemented using standard linear algebra, and often finds better clusters than traditional clustering algorithms like $k$-means and $k$-centers. The foundational algorithm for two-way spectral clustering, by Shi and Malik, creates a geometric graph from data and finds a spectral cut of the graph. In modern machine learning, many data sets are modeled as a large number of points drawn from a probability density function. Little is known about when spectral clustering works in this setting -- and when it doesn't. Past researchers justified spectral clustering by appealing to the graph Cheeger inequality (which states that the spectral cut of a graph approximates the ``Normalized Cut''), but this justification is known to break down on large data sets. We provide theoretically-informed intuition about spectral clustering on large data sets drawn from probability densities, by proving when a continuous form of spectral clustering considered by past researchers (the unweighted spectral cut of a probability density) finds good clusters of the underlying density itself. Our work suggests that Shi-Malik spectral clustering works well on data drawn from mixtures of Laplace distributions, and works poorly on data drawn from certain other densities, such as a density we call the `square-root trough'. Our core theorem proves that weighted spectral cuts have low weighted isoperimetry for all probability densities. Our key tool is a new Cheeger-Buser inequality for all probability densities, including discontinuous ones.
CGNov 23, 2020
Metric Transforms and Low Rank Matrices via Representation Theory of the Real HyperrectangleJosh Alman, Timothy Chu, Gary Miller et al.
In this paper, we develop a new technique which we call representation theory of the real hyperrectangle, which describes how to compute the eigenvectors and eigenvalues of certain matrices arising from hyperrectangles. We show that these matrices arise naturally when analyzing a number of different algorithmic tasks such as kernel methods, neural network training, natural language processing, and the design of algorithms using the polynomial method. We then use our new technique along with these connections to prove several new structural results in these areas, including: $\bullet$ A function is a positive definite Manhattan kernel if and only if it is a completely monotone function. These kernels are widely used across machine learning; one example is the Laplace kernel which is widely used in machine learning for chemistry. $\bullet$ A function transforms Manhattan distances to Manhattan distances if and only if it is a Bernstein function. This completes the theory of Manhattan to Manhattan metric transforms initiated by Assouad in 1980. $\bullet$ A function applied entry-wise to any square matrix of rank $r$ always results in a matrix of rank $< 2^{r-1}$ if and only if it is a polynomial of sufficiently low degree. This gives a converse to a key lemma used by the polynomial method in algorithm design. Our work includes a sophisticated combination of techniques from different fields, including metric embeddings, the polynomial method, and group representation theory.