Nearest neighbor search (NNS), as a form of proximity search, is the optimization problem of finding the point in a given set that is closest (or most similar) to a given point. Closeness is typically expressed in terms of a dissimilarity function: the less similar the objects, the larger the function values. Formally, the nearest neighbor (NN) search problem is defined as follows: given a set S of points in a space M and a query point q ∈ M {\displaystyle q\in M} , find the closest point in S to q. Donald Knuth in volume 3 of The Art of Computer Programming (1973) called it the post-office problem, referring to an application of assigning to a residence the nearest post office. A direct generalization of this problem is a k-NN search, where we need to find the k closest points. Most commonly M is a metric space and dissimilarity is expressed as a distance metric, which is symmetric and satisfies the triangle inequality. Even more common, M is taken to be the d-dimensional vector space where dissimilarity is measured using the Euclidean distance, Manhattan distance or other distance metric. However, the dissimilarity function can be arbitrary. One example is asymmetric Bregman divergence, for which the triangle inequality does not hold.
Applications The nearest neighbor search problem arises in numerous fields of application, including:
Pattern recognition – in particular for optical character recognition Statistical classification – see k-nearest neighbor algorithm Computer vision – for point cloud registration Computational geometry – see Closest pair of points problem Cryptanalysis – for lattice problem Databases – e.g. content-based image retrieval Coding theory – see maximum likelihood decoding Semantic search Vector databases, where nearest-neighbor lookup over embeddings is used to retrieve semantically similar records Retrieval-augmented generation systems, where nearest-neighbor retrieval over embeddings is used to fetch candidate passages or documents before generation Data compression – see MPEG-2 standard Robotic sensing Recommendation systems, e.g. see Collaborative filtering Internet marketing – see contextual advertising and behavioral targeting DNA sequencing Spell checking – suggesting correct spelling Plagiarism detection Similarity scores for predicting career paths of professional athletes. Cluster analysis – assignment of a set of observations into subsets (called clusters) so that observations in the same cluster are similar in some sense, usually based on Euclidean distance Chemical similarity Sampling-based motion planning
Methods Various solutions to the NNS problem have been proposed. The quality and usefulness of the algorithms are determined by the time complexity of queries as well as the space complexity of any search data structures that must be maintained. The informal observation usually referred to as the curse of dimensionality states that there is no general-purpose exact solution for NNS in high-dimensional Euclidean space using polynomial preprocessing and polylogarithmic search time.
Exact methods
Linear search The simplest solution to the NNS problem is to compute the distance from the query point to every other point in the database, keeping track of the "best so far". This algorithm, sometimes referred to as the naive approach, has a running time of O(dN), where N is the cardinality of S and d is the dimensionality of S. There are no search data structures to maintain, so the linear search has no space complexity beyond the storage of the database. Naive search can, on average, outperform space partitioning approaches on higher dimensional spaces. The absolute distance is not required for distance comparison, only the relative distance. In geometric coordinate systems the distance calculation can be sped up considerably by omitting the square root calculation from the distance calculation between two coordinates. The distance comparison will still yield identical results.
Space partitioning Since the 1970s, the branch and bound methodology has been applied to the problem. In the case of Euclidean space, this approach encompasses spatial index or spatial access methods. Several space-partitioning methods have been developed for solving the NNS problem. Perhaps the simplest is the k-d tree, which iteratively bisects the search space into two regions containing half of the points of the parent region. Queries are performed via traversal of the tree from the root to a leaf by evaluating the query point at each split. Depending on the distance specified in the query, neighboring branches that might contain hits may also need to be evaluated. For constant dimension query time, average complexity is O(log N) in the case of randomly distributed points, worst case complexity is O(kN^(1-1/k)) Alternatively the R-tree data structure was designed to support nearest neighbor search in dynamic context, as it has efficient algorithms for insertions and deletions such as the R* tree. R-trees can yield nearest neighbors not only for Euclidean distance, but can also be used with other distances. In the case of general metric space, the branch-and-bound approach is known as the metric tree approach. Particular examples include vp-tree and BK-tree methods.
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