No Arabic abstract
The k-Nearest Neighbors (kNN) classifier is a fundamental non-parametric machine learning algorithm. However, it is well known that it suffers from the curse of dimensionality, which is why in practice one often applies a kNN classifier on top of a (pre-trained) feature transformation. From a theoretical perspective, most, if not all theoretical results aimed at understanding the kNN classifier are derived for the raw feature space. This leads to an emerging gap between our theoretical understanding of kNN and its practical applications. In this paper, we take a first step towards bridging this gap. We provide a novel analysis on the convergence rates of a kNN classifier over transformed features. This analysis requires in-depth understanding of the properties that connect both the transformed space and the raw feature space. More precisely, we build our convergence bound upon two key properties of the transformed space: (1) safety -- how well can one recover the raw posterior from the transformed space, and (2) smoothness -- how complex this recovery function is. Based on our result, we are able to explain why some (pre-trained) feature transformations are better suited for a kNN classifier than other. We empirically validate that both properties have an impact on the kNN convergence on 30 feature transformations with 6 benchmark datasets spanning from the vision to the text domain.
Fast approximate nearest neighbor (NN) search in large databases is becoming popular. Several powerful learning-based formulations have been proposed recently. However, not much attention has been paid to a more fundamental question: how difficult is (approximate) nearest neighbor search in a given data set? And which data properties affect the difficulty of nearest neighbor search and how? This paper introduces the first concrete measure called Relative Contrast that can be used to evaluate the influence of several crucial data characteristics such as dimensionality, sparsity, and database size simultaneously in arbitrary normed metric spaces. Moreover, we present a theoretical analysis to prove how the difficulty measure (relative contrast) determines/affects the complexity of Local Sensitive Hashing, a popular approximate NN search method. Relative contrast also provides an explanation for a family of heuristic hashing algorithms with good practical performance based on PCA. Finally, we show that most of the previous works in measuring NN search meaningfulness/difficulty can be derived as special asymptotic cases for dense vectors of the proposed measure.
Given a data set $mathcal{D}$ containing millions of data points and a data consumer who is willing to pay for $$X$ to train a machine learning (ML) model over $mathcal{D}$, how should we distribute this $$X$ to each data point to reflect its value? In this paper, we define the relative value of data via the Shapley value, as it uniquely possesses properties with appealing real-world interpretations, such as fairness, rationality and decentralizability. For general, bounded utility functions, the Shapley value is known to be challenging to compute: to get Shapley values for all $N$ data points, it requires $O(2^N)$ model evaluations for exact computation and $O(Nlog N)$ for $(epsilon, delta)$-approximation. In this paper, we focus on one popular family of ML models relying on $K$-nearest neighbors ($K$NN). The most surprising result is that for unweighted $K$NN classifiers and regressors, the Shapley value of all $N$ data points can be computed, exactly, in $O(Nlog N)$ time -- an exponential improvement on computational complexity! Moreover, for $(epsilon, delta)$-approximation, we are able to develop an algorithm based on Locality Sensitive Hashing (LSH) with only sublinear complexity $O(N^{h(epsilon,K)}log N)$ when $epsilon$ is not too small and $K$ is not too large. We empirically evaluate our algorithms on up to $10$ million data points and even our exact algorithm is up to three orders of magnitude faster than the baseline approximation algorithm. The LSH-based approximation algorithm can accelerate the value calculation process even further. We then extend our algorithms to other scenarios such as (1) weighed $K$NN classifiers, (2) different data points are clustered by different data curators, and (3) there are data analysts providing computation who also requires proper valuation.
Information-theoretic quantities, such as conditional entropy and mutual information, are critical data summaries for quantifying uncertainty. Current widely used approaches for computing such quantities rely on nearest neighbor methods and exhibit both strong performance and theoretical guarantees in certain simple scenarios. However, existing approaches fail in high-dimensional settings and when different features are measured on different scales.We propose decision forest-based adaptive nearest neighbor estimators and show that they are able to effectively estimate posterior probabilities, conditional entropies, and mutual information even in the aforementioned settings.We provide an extensive study of efficacy for classification and posterior probability estimation, and prove certain forest-based approaches to be consistent estimators of the true posteriors and derived information-theoretic quantities under certain assumptions. In a real-world connectome application, we quantify the uncertainty about neuron type given various cellular features in the Drosophila larva mushroom body, a key challenge for modern neuroscience.
We formulate approximate nearest neighbor (ANN) search as a multi-label classification task. The implications are twofold. First, tree-based indexes can be searched more efficiently by interpreting them as models to solve this task. Second, in addition to index structures designed specifically for ANN search, any type of classifier can be used as an index.
Nearest neighbor search has found numerous applications in machine learning, data mining and massive data processing systems. The past few years have witnessed the popularity of the graph-based nearest neighbor search paradigm because of its superiority over the space-partitioning algorithms. While a lot of empirical studies demonstrate the efficiency of graph-based algorithms, not much attention has been paid to a more fundamental question: why graph-based algorithms work so well in practice? And which data property affects the efficiency and how? In this paper, we try to answer these questions. Our insight is that the probability that the neighbors of a point o tends to be neighbors in the KNN graph is a crucial data property for query efficiency. For a given dataset, such a property can be qualitatively measured by clustering coefficient of the KNN graph. To show how clustering coefficient affects the performance, we identify that, instead of the global connectivity, the local connectivity around some given query q has more direct impact on recall. Specifically, we observed that high clustering coefficient makes most of the k nearest neighbors of q sit in a maximum strongly connected component (SCC) in the graph. From the algorithmic point of view, we show that the search procedure is actually composed of two phases - the one outside the maximum SCC and the other one in it, which is different from the widely accepted single or multiple paths search models. We proved that the commonly used graph-based search algorithm is guaranteed to traverse the maximum SCC once visiting any point in it. Our analysis reveals that high clustering coefficient leads to large size of the maximum SCC, and thus provides good answer quality with the help of the two-phase search procedure. Extensive empirical results over a comprehensive collection of datasets validate our findings.