In machine learning, manifold regularization is a technique for using the shape of a dataset to constrain the functions that should be learned on that dataset. In many machine learning problems, the data to be learned do not cover the entire input space. For example, a facial recognition system may not need to classify any possible image, but only the subset of images that contain faces. The technique of manifold learning assumes that the relevant subset of data comes from a manifold, a mathematical structure with useful properties. The technique also assumes that the function to be learned is smooth: data with different labels are not likely to be close together, and so the labeling function should not change quickly in areas where there are likely to be many data points. Because of this assumption, a manifold regularization algorithm can use unlabeled data to inform where the learned function is allowed to change quickly and where it is not, using an extension of the technique of Tikhonov regularization. Manifold regularization algorithms can extend supervised learning algorithms in semi-supervised learning and transductive learning settings, where unlabeled data are available. The technique has been used for applications including medical imaging, geographical imaging, and object recognition.
Manifold regularizer
Motivation Manifold regularization is a type of regularization, a family of techniques that reduces overfitting and ensures that a problem is well-posed by penalizing complex solutions. In particular, manifold regularization extends the technique of Tikhonov regularization as applied to Reproducing kernel Hilbert spaces (RKHSs). Under standard Tikhonov regularization on RKHSs, a learning algorithm attempts to learn a function f {\displaystyle f} from among a hypothesis space of functions H {\displaystyle {\mathcal {H}}} . The hypothesis space is an RKHS, meaning that it is associated with a kernel K {\displaystyle K} , and so every candidate function f {\displaystyle f} has a norm ‖ f ‖ K {\displaystyle \left\|f\right\|_{K}} , which represents the complexity of the candidate function in the hypothesis space. When the algorithm considers a candidate function, it takes its norm into account in order to penalize complex functions. Formally, given a set of labeled training data ( x 1 , y 1 ) , … , ( x ℓ , y ℓ ) {\displaystyle (x_{1},y_{1}),\ldots ,(x_{\ell },y_{\ell })} with x i ∈ X , y i ∈ Y {\displaystyle x_{i}\in X,y_{i}\in Y} and a loss function V {\displaystyle V} , a learning algorithm using Tikhonov regularization will attempt to solve the expression
arg min f ∈ H 1 ℓ ∑ i = 1 ℓ V ( f ( x i ) , y i ) + γ ‖ f ‖ K 2 {\displaystyle {\underset {f\in {\mathcal {H}}}{\arg \!\min }}{\frac {1}{\ell }}\sum _{i=1}^{\ell }V(f(x_{i}),y_{i})+\gamma \left\|f\right\|_{K}^{2}}
where γ {\displaystyle \gamma } is a hyperparameter that controls how much the algorithm will prefer simpler functions over functions that fit the data better.
Manifold regularization adds a second regularization term, the intrinsic regularizer, to the ambient regularizer used in standard Tikhonov regularization. Under the manifold assumption in machine learning, the data in question do not come from the entire input space X {\displaystyle X} , but instead from a nonlinear manifold M ⊂ X {\displaystyle M\subset X} . The geometry of this manifold, the intrinsic space, is used to determine the regularization norm.
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