Large margin nearest neighbor (LMNN) classification is a statistical machine learning algorithm for metric learning. It learns a pseudometric designed for k-nearest neighbor classification. The algorithm is based on semidefinite programming, a sub-class of convex optimization. The goal of supervised learning (more specifically classification) is to learn a decision rule that can categorize data instances into pre-defined classes. The k-nearest neighbor rule assumes a training data set of labeled instances (i.e. the classes are known). It classifies a new data instance with the class obtained from the majority vote of the k closest (labeled) training instances. Closeness is measured with a pre-defined metric. Large margin nearest neighbors is an algorithm that learns this global (pseudo-)metric in a supervised fashion to improve the classification accuracy of the k-nearest neighbor rule.
Setup The main intuition behind LMNN is to learn a pseudometric under which all data instances in the training set are surrounded by at least k instances that share the same class label. If this is achieved, the leave-one-out error (a special case of cross validation) is minimized. Let the training data consist of a data set D = { ( x → 1 , y 1 ) , … , ( x → n , y n ) } ⊂ R d × C {\displaystyle D=\{({\vec {x}}_{1},y_{1}),\dots ,({\vec {x}}_{n},y_{n})\}\subset R^{d}\times C} , where the set of possible class categories is C = { 1 , … , c } {\displaystyle C=\{1,\dots ,c\}} . The algorithm learns a pseudometric of the type
d ( x → i , x → j ) = ( x → i − x → j ) ⊤ M ( x → i − x → j ) {\displaystyle d({\vec {x}}_{i},{\vec {x}}_{j})=({\vec {x}}_{i}-{\vec {x}}_{j})^{\top }\mathbf {M} ({\vec {x}}_{i}-{\vec {x}}_{j})} . For d ( ⋅ , ⋅ ) {\displaystyle d(\cdot ,\cdot )} to be well defined, the matrix M {\displaystyle \mathbf {M} } needs to be positive semi-definite. The Euclidean metric is a special case, where M {\displaystyle \mathbf {M} } is the identity matrix. This generalization is often (falsely) referred to as Mahalanobis metric. Figure 1 illustrates the effect of the metric under varying M {\displaystyle \mathbf {M} } . The two circles show the set of points with equal distance to the center x → i {\displaystyle {\vec {x}}_{i}} . In the Euclidean case this set is a circle, whereas under the modified (Mahalanobis) metric it becomes an ellipsoid.
The algorithm distinguishes between two types of special data points: target neighbors and impostors.
Target neighbors Target neighbors are selected before learning. Each instance x → i {\displaystyle {\vec {x}}_{i}} has exactly k {\displaystyle k} different target neighbors within D {\displaystyle D} , which all share the same class label y i {\displaystyle y_{i}} . The target neighbors are the data points that should become nearest neighbors under the learned metric. Let us denote the set of target neighbors for a data point x → i {\displaystyle {\vec {x}}_{i}} as N i {\displaystyle N_{i}} .
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