Positive semi-definite embedding for dimensionality reduction and out-of-sample extensions
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In machine learning or statistics, it is often desirable to reduce the dimensionality of high dimensional data. We propose to obtain the low dimensional embedding coordinates as the eigenvectors of a positive semi-definite kernel matrix. This kernel matrix is the solution of a semi-definite program promoting a low rank solution and defined with the help of a diffusion kernel. Besides, we also discuss an infinite dimensional analogue of the same semi-definite program. From a practical perspective, a main feature of our approach is the existence of a non-linear out-of-sample extension formula of the embedding coordinates that we call a projected Nyström approximation. This extension formula yields an extension of the kernel matrix to a data-dependent Mercer kernel function. Although the semi-definite program may be solved directly, we propose another strategy based on a rank constrained formulation solved thanks to a projected power method algorithm followed by a singular value decomposition. This strategy allows for a reduced computational time.
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