Nonlinear dimensionality reduction

Nonlinear dimensionality reduction (NLDR), also known as manifold learning, is any of various related techniques that aim to project high-dimensional data, potentially existing across non-linear manifolds (non-affine subspaces) which cannot be adequately captured by linear decomposition methods, onto lower-dimensional latent manifolds, with the goal of either visualizing the data in the low-dimensional space, or learning the mapping (either from the high-dimensional space to the low-dimensional embedding or vice versa) itself. The techniques described below can be understood as generalizations of linear decomposition methods used for dimensionality reduction, such as singular value decomposition and principal component analysis.

Applications of NLDR High dimensional data can be hard for machines to work with, requiring significant time and space for analysis. It also presents a challenge for humans, since it's hard to visualize or understand data in more than three dimensions. Reducing the dimensionality of a data set, while keeping its essential features relatively intact, can make algorithms more efficient and allow analysts to visualize trends and patterns.

The reduced-dimensional representations of data are often referred to as "intrinsic variables". This description implies that these are the values from which the data was produced. For example, consider a dataset that contains images of a letter 'A', which has been scaled and rotated by varying amounts. Each image has 32×32 pixels. Each image can be represented as a vector of 1024 pixel values. Each row is a sample on a two-dimensional manifold in 1024-dimensional space (a Hamming space). The intrinsic dimensionality is two, because two variables (rotation and scale) were varied in order to produce the data. Information about the shape or look of a letter 'A' is not part of the intrinsic variables because it is the same in every instance. Nonlinear dimensionality reduction will discard the correlated information (the letter 'A') and recover only the varying information (rotation and scale).

By comparison, if principal component analysis, which is a linear dimensionality reduction algorithm, is used to reduce this same dataset into two dimensions, the resulting values are not so well organized. This demonstrates that the high-dimensional vectors (each representing a letter 'A') that sample this manifold vary in a non-linear manner. It should be apparent, therefore, that NLDR has several applications in the field of computer-vision. For example, consider a robot that uses a camera to navigate in a closed static environment. The images obtained by that camera can be considered to be samples on a manifold in high-dimensional space, and the intrinsic variables of that manifold will represent the robot's position and orientation. Invariant manifolds are of general interest for model order reduction in dynamical systems. In particular, if there is an attracting invariant manifold in the phase space, nearby trajectories will converge onto it and stay on it indefinitely, rendering it a candidate for dimensionality reduction of the dynamical system. While such manifolds are not guaranteed to exist in general, the theory of spectral submanifolds (SSM) gives conditions for the existence of unique attracting invariant objects in a broad class of dynamical systems. Active research in NLDR seeks to unfold the observation manifolds associated with dynamical systems to develop modeling techniques. Some of the more prominent nonlinear dimensionality reduction techniques are listed below.

Important concepts

Sammon's mapping Sammon's mapping is one of the first and most popular NLDR techniques.

Self-organizing map The self-organizing map (SOM, also called Kohonen map) and its probabilistic variant generative topographic mapping (GTM) use a point representation in the embedded space to form a latent variable model based on a non-linear mapping from the embedded space to the high-dimensional space. These techniques are related to work on density networks, which also are based around the same probabilistic model.

Kernel principal component analysis Perhaps the most widely used algorithm for dimensional reduction is kernel PCA. PCA begins by computing the covariance matrix of the m × n {\displaystyle m\times n} matrix X {\displaystyle \mathbf {X} }

C = 1 m ∑ i = 1 m x i x i T . {\displaystyle C={\frac {1}{m}}\sum _{i=1}^{m}{\mathbf {x} _{i}\mathbf {x} _{i}^{\mathsf {T}}}.}

It then projects the data onto the first k eigenvectors of that matrix. By comparison, KPCA begins by computing the covariance matrix of the data after being transformed into a higher-dimensional space,

C = 1 m ∑ i = 1 m Φ ( x i ) Φ ( x i ) T . {\displaystyle C={\frac {1}{m}}\sum _{i=1}^{m}{\Phi (\mathbf {x} _{i})\Phi (\mathbf {x} _{i})^{\mathsf {T}}}.}

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