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 Nearest Neighbor Methods



Finite-Sample Analysis of Fixed-k Nearest Neighbor Density Functional Estimators

Neural Information Processing Systems

We provide finite-sample analysis of a general framework for using k-nearest neighbor statistics to estimate functionals of a nonparametric continuous probability density, including entropies and divergences. Rather than plugging a consistent density estimate (which requires k as the sample size n) into the functional of interest, the estimators we consider fix k and perform a bias correction. This is more efficient computationally, and, as we show in certain cases, statistically, leading to faster convergence rates. Our framework unifies several previous estimators, for most of which ours are the first finite sample guarantees.



Active Nearest-Neighbor Learning in Metric Spaces

Neural Information Processing Systems

We propose a pool-based non-parametric active learning algorithm for general metric spaces, called MArgin Regularized Metric Active Nearest Neighbor (MARMANN), which outputs a nearest-neighbor classifier. We give prediction error guarantees that depend on the noisy-margin properties of the input sample, and are competitive with those obtained by previously proposed passive learners. We prove that the label complexity of MARMANN is significantly lower than that of any passive learner with similar error guarantees. Our algorithm is based on a generalized sample compression scheme and a new label-efficient active model-selection procedure.


Learnability with Partial Labels and Adaptive Nearest Neighbors

arXiv.org Machine Learning

Prior work on partial labels learning (PLL) has shown that learning is possible even when each instance is associated with a bag of labels, rather than a single accurate but costly label. However, the necessary conditions for learning with partial labels remain unclear, and existing PLL methods are effective only in specific scenarios. In this work, we mathematically characterize the settings in which PLL is feasible. In addition, we present PL A-$k$NN, an adaptive nearest-neighbors algorithm for PLL that is effective in general scenarios and enjoys strong performance guarantees. Experimental results corroborate that PL A-$k$NN can outperform state-of-the-art methods in general PLL scenarios.



Multi-scale Consistency for Robust 3D Registration via Hierarchical Sinkhorn Tree

Neural Information Processing Systems

We study the problem of retrieving accurate correspondence through multi-scale consistency (MSC) for robust point cloud registration. Existing works in a coarse-to-fine manner either suffer from severe noisy correspondences caused by unreliable coarse matching or struggle to form outlier-free coarse-level correspondence sets. To tackle this, we present Hierarchical Sinkhorn Tree (HST), a pruned tree structure designed to hierarchically measure the local consistency of each coarse correspondence across multiple feature scales, thereby filtering out the local dissimilar ones. In this way, we convert the modeling of MSC for each correspondence into a BFS traversal with pruning of a K-ary tree rooted at the superpoint, with its K nearest neighbors in the feature pyramid serving as child nodes. To achieve efficient pruning and accurate vicinity characterization, we further propose a novel overlap-aware Sinkhorn Distance, which retains only the most likely overlapping points for local measurement and next level exploration. The modeling process essentially involves traversing a pair of HSTs synchronously and aggregating the consistency measures of corresponding tree nodes. Extensive experiments demonstrate HST consistently outperforms the state-of-the-art methods on both indoor and outdoor benchmarks.


Consistency of the $k$-Nearest Neighbor Regressor under Complex Survey Designs

arXiv.org Machine Learning

We study the consistency of the $k$-nearest neighbor regressor under complex survey designs. While consistency results for this algorithm are well established for independent and identically distributed data, corresponding results for complex survey data are lacking. We show that the $k$-nearest neighbor regressor is consistent under regularity conditions on the sampling design and the distribution of the data. We derive lower bounds for the rate of convergence and show that these bounds exhibit the curse of dimensionality, as in the independent and identically distributed setting. Empirical studies based on simulated and real data illustrate our theoretical findings.


No Train, all Gain: Self-Supervised Gradients Improve Deep Frozen Representations

Neural Information Processing Systems

Our method is simple: given any pretrained model, we first compute gradients from various self-supervised objectives for each input. These gradients are projected to a lower dimension and then concatenated with the model's output embedding. The resulting features are evaluated on k-nearest neighbor classification over 11 datasets from vision, 5 from natural language processing, and 2 from audio. Across backbones spanning various sizes and pretraining strategies, FUNGI features provide consistent performance improvements over the embeddings. We also show that using FUNGI features can benefit linear classification, clustering and image retrieval, and that they significantly improve the retrieval-based in-context scene understanding abilities of pretrained models, for example improving upon DINO by +17% for semantic segmentation - without any training.


Continuous Partitioning for Graph-Based Semi-Supervised Learning

Neural Information Processing Systems

Laplace learning algorithms for graph-based semi-supervised learning have been shown to produce degenerate predictions at low label rates and in imbalanced class regimes, particularly near class boundaries. We propose CutSSL: a framework for graph-based semi-supervised learning based on continuous nonconvex quadratic programming, which provably obtains \emph{integer} solutions. Our framework is naturally motivated by an \emph{exact} quadratic relaxation of a cardinality-constrained minimum-cut graph partitioning problem. Furthermore, we show our formulation is related to an optimization problem whose approximate solution is the mean-shifted Laplace learning heuristic, thus providing new insight into the performance of this heuristic. We demonstrate that CutSSL significantly surpasses the current state-of-the-art on k-nearest neighbor graphs and large real-world graph benchmarks across a variety of label rates, class imbalance, and label imbalance regimes.