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Register a new userInvertible Manifold Learning for Dimension Reduction
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Added by
Siyuan Li
Publication date
2020
fields
Informatics Engineering
and research's language is
English
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Dimension reduction (DR) aims to learn low-dimensional representations of high-dimensional data with the preservation of essential information. In the context of manifold learning, we define that the representation after information-lossless DR preserves the topological and geometric properties of data manifolds formally, and propose a novel two-stage DR method, called invertible manifold learning (inv-ML) to bridge the gap between theoretical information-lossless and practical DR. The first stage includes a homeomorphic sparse coordinate transformation to learn low-dimensional representations without destroying topology and a local isometry constraint to preserve local geometry. In the second stage, a linear compression is implemented for the trade-off between the target dimension and the incurred information loss in excessive DR scenarios. Experiments are conducted on seven datasets with a neural network implementation of inv-ML, called i-ML-Enc. Empirically, i-ML-Enc achieves invertible DR in comparison with typical existing methods as well as reveals the characteristics of the learned manifolds. Through latent space interpolation on real-world datasets, we find that the reliability of tangent space approximated by the local neighborhood is the key to the success of manifold-based DR algorithms.
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We present a general framework of semi-supervised dimensionality reduction for manifold learning which naturally generalizes existing supervised and unsupervised learning frameworks which apply the spectral decomposition. Algorithms derived under our framework are able to employ both labeled and unlabeled examples and are able to handle complex problems where data form separate clusters of manifolds. Our framework offers simple views, explains relationships among existing frameworks and provides further extensions which can improve existing algorithms. Furthermore, a new semi-supervised kernelization framework called ``KPCA trick is proposed to handle non-linear problems.
Large scale dynamical systems (e.g. many nonlinear coupled differential equations) can often be summarized in terms of only a few state variables (a few equations), a trait that reduces complexity and facilitates exploration of behavioral aspects of otherwise intractable models. High model dimensionality and complexity makes symbolic, pen--and--paper model reduction tedious and impractical, a difficulty addressed by recently developed frameworks that computerize reduction. Symbolic work has the benefit, however, of identifying both reduced state variables and parameter combinations that matter most (effective parameters, inputs); whereas current computational reduction schemes leave the parameter reduction aspect mostly unaddressed. As the interest in mapping out and optimizing complex input--output relations keeps growing, it becomes clear that combating the curse of dimensionality also requires efficient schemes for input space exploration and reduction. Here, we explore systematic, data-driven parameter reduction by means of effective parameter identification, starting from current nonlinear manifold-learning techniques enabling state space reduction. Our approach aspires to extend the data-driven determination of effective state variables with the data-driven discovery of effective model parameters, and thus to accelerate the exploration of high-dimensional parameter spaces associated with complex models.
Manifold learning methods are an invaluable tool in todays world of increasingly huge datasets. Manifold learning algorithms can discover a much lower-dimensional representation (embedding) of a high-dimensional dataset through non-linear transformations that preserve the most important structure of the original data. State-of-the-art manifold learning methods directly optimise an embedding without mapping between the original space and the discovered embedded space. This makes interpretability - a key requirement in exploratory data analysis - nearly impossible. Recently, genetic programming has emerged as a very promising approach to manifold learning by evolving functional mappings from the original space to an embedding. However, genetic programming-based manifold learning has struggled to match the performance of other approaches. In this work, we propose a new approach to using genetic programming for manifold learning, which preserves local topology. This is expected to significantly improve performance on tasks where local neighbourhood structure (topology) is paramount. We compare our proposed approach with various baseline manifold learning methods and find that it often outperforms other methods, including a clear improvement over previous genetic programming approaches. These results are particularly promising, given the potential interpretability and reusability of the evolved mappings.
Manifold learning-based encoders have been playing important roles in nonlinear dimensionality reduction (NLDR) for data exploration. However, existing methods can often fail to preserve geometric, topological and/or distributional structures of data. In this paper, we propose a deep manifold learning framework, called deep manifold transformation (DMT) for unsupervised NLDR and embedding learning. DMT enhances deep neural networks by using cross-layer local geometry-preserving (LGP) constraints. The LGP constraints constitute the loss for deep manifold learning and serve as geometric regularizers for NLDR network training. Extensive experiments on synthetic and real-world data demonstrate that DMT networks outperform existing leading manifold-based NLDR methods in terms of preserving the structures of data.
A fundamental task in data exploration is to extract simplified low dimensional representations that capture intrinsic geometry in data, especially for faithfully visualizing data in two or three dimensions. Common approaches to this task use kernel methods for manifold learning. However, these methods typically only provide an embedding of fixed input data and cannot extend to new data points. Autoencoders have also recently become popular for representation learning. But while they naturally compute feature extractors that are both extendable to new data and invertible (i.e., reconstructing original features from latent representation), they have limited capabilities to follow global intrinsic geometry compared to kernel-based manifold learning. We present a new method for integrating both approaches by incorporating a geometric regularization term in the bottleneck of the autoencoder. Our regularization, based on the diffusion potential distances from the recently-proposed PHATE visualization method, encourages the learned latent representation to follow intrinsic data geometry, similar to manifold learning algorithms, while still enabling faithful extension to new data and reconstruction of data in the original feature space from latent coordinates. We compare our approach with leading kernel methods and autoencoder models for manifold learning to provide qualitative and quantitative evidence of our advantages in preserving intrinsic structure, out of sample extension, and reconstruction. Our method is easily implemented for big-data applications, whereas other methods are limited in this regard.
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