Semi-supervised regression based on the graph Laplacian suffers from the fact that the solution is biased towards a constant and the lack of extrapolating power. Outgoing from these observations we propose to use the second-order Hessian energy for semi-supervised regression which overcomes both of these problems, in particular, if the data lies on or close to a low-dimensional submanifold in the feature space, the Hessian energy prefers functions which vary linearly with respect to the natural parameters in the data. This property makes it also particularly suited for the task of semi-supervised dimensionality reduction where the goal is to find the natural parameters in the data based on a few labeled points. The experimental result suggest that our method is superior to semi-supervised regression using Laplacian regularization and standard supervised methods and is particularly suited for semi-supervised dimensionality reduction.

We propose an approach for linear unsupervised dimensionality reduction, based on the sparse linear model that has been used to probabilistically interpret sparse coding. We formulate an optimization problem for learning a linear projection from the original signal domain to a lower-dimensional one in a way that approximately preserves, in expectation, pairwise inner products in the sparse domain. We derive solutions to the problem, present nonlinear extensions, and discuss relations to compressed sensing. Our experiments using facial images, texture patches, and images of object categories suggest that the approach can improve our ability to recover meaningful structure in many classes of signals.

One of the central issues of several machine learning applications on real data is the choice of the input features. Ideally, the designer should select only the relevant, non-redundant features to preserve the complete information contained in the original dataset, with little collinearity among features and a smaller dimension. This procedure helps mitigate problems like overfitting and the curse of dimensionality, which arise when dealing with high-dimensional problems. On the other hand, it is not desirable to simply discard some features, since they may still contain information that can be exploited to improve results. Instead, dimensionality reduction techniques are designed to limit the number of features in a dataset by projecting them into a lower-dimensional space, possibly considering all the original features. However, the projected features resulting from the application of dimensionality reduction techniques are usually difficult to interpret. In this paper, we seek to design a principled dimensionality reduction approach that maintains the interpretability of the resulting features. Specifically, we propose a bias-variance analysis for linear models and we leverage these theoretical results to design an algorithm, Linear Correlated Features Aggregation (LinCFA), which aggregates groups of continuous features with their average if their correlation is "sufficiently large". In this way, all features are considered, the dimensionality is reduced and the interpretability is preserved. Finally, we provide numerical validations of the proposed algorithm both on synthetic datasets to confirm the theoretical results and on real datasets to show some promising applications.

Unsupervised machine learning lacks ground truth by definition. This poses a major difficulty when designing metrics to evaluate the performance of such algorithms. In sharp contrast with supervised learning, for which plenty of quality metrics have been studied in the literature, in the field of dimensionality reduction only a few over-simplistic metrics has been proposed. In this work, we aim to introduce the first highly non-trivial dimensionality reduction performance metric. This metric is based on the sectional curvature behaviour arising from Riemannian geometry. To test its feasibility, this metric has been used to evaluate the performance of the most commonly used dimension reduction algorithms in the state of the art. Furthermore, to make the evaluation of the algorithms robust and representative, using curvature properties of planar curves, a new parameterized problem instance generator has been constructed in the form of a function generator. Experimental results are consistent with what could be expected based on the design and characteristics of the evaluated algorithms and the features of the data instances used to feed the method.

Datasets with non-trivial large scale topology can be hard to embed in low-dimensional Euclidean space with existing dimensionality reduction algorithms. We propose to model topologically complex datasets using vector bundles, in such a way that the base space accounts for the large scale topology, while the fibers account for the local geometry. This allows one to reduce the dimensionality of the fibers, while preserving the large scale topology. We formalize this point of view and, as an application, we describe a dimensionality reduction algorithm based on topological inference for vector bundles. The algorithm takes as input a dataset together with an initial representation in Euclidean space, assumed to recover part of its large scale topology, and outputs a new representation that integrates local representations obtained through local linear dimensionality reduction. We demonstrate this algorithm on examples coming from dynamical systems and chemistry. In these examples, our algorithm is able to learn topologically faithful embeddings of the data in lower target dimension than various well known metric-based dimensionality reduction algorithms.

Correct risk estimation of policyholders is of great significance to auto insurance companies. While the current tools used in this field have been proven in practice to be quite efficient and beneficial, we argue that there is still a lot of room for development and improvement in the auto insurance risk estimation process. To this end, we develop a framework based on a combination of a neural network together with a dimensionality reduction technique t-SNE (t-distributed stochastic neighbour embedding). This enables us to visually represent the complex structure of the risk as a two-dimensional surface, while still preserving the properties of the local region in the features space. The obtained results, which are based on real insurance data, reveal a clear contrast between the high and the low risk policy holders, and indeed improve upon the actual risk estimation performed by the insurer. Due to the visual accessibility of the portfolio in this approach, we argue that this framework could be advantageous to the auto insurer, both as a main risk prediction tool and as an additional validation stage in other approaches.

Dimensionality reduction (DR) plays a vital role in the visual analysis of high-dimensional data. One main aim of DR is to reveal hidden patterns that lie on intrinsic low-dimensional manifolds. However, DR often overlooks important patterns when the manifolds are distorted or masked by certain influential data attributes. This paper presents a feature learning framework, FEALM, designed to generate a set of optimized data projections for nonlinear DR in order to capture important patterns in the hidden manifolds. These projections produce maximally different nearest-neighbor graphs so that resultant DR outcomes are significantly different. To achieve such a capability, we design an optimization algorithm as well as introduce a new graph dissimilarity measure, named neighbor-shape dissimilarity. Additionally, we develop interactive visualizations to assist comparison of obtained DR results and interpretation of each DR result. We demonstrate FEALM's effectiveness through experiments and case studies using synthetic and real-world datasets.

Some approaches [14], [15] aim to infer global feature importance for a given data Transparency of machine learning (ML) based system, projection. Another work [16] estimates feature importance applied in the real world, is nowadays a widely accepted locally for a vicinity around a projected data point, using requirement - the importance of transparency was also recognized locally linear models. A recent paper [17] proposes to use by the policy makers and therefore made its way local feature importance explanations by computing a local into legal regulations like the EU's GDPR [1]. A popular linear approximation for each reduced dimension, extracting way of achieving transparency is by means of explanations [2] feature importances from the weight vectors. Further, saliency which then gave rise to the field of eXplainable AI (XAI) [3], map approaches such as the layer-wise relevance propagation [4]. Although a lot of different explanation methodologies (LRP) [18] could in principle be applied to a parametric for ML based systems have been developed [2], [4], it is dimensionality reduction mapping in order to obtain locally important to realize that it is still somewhat unclear what relevant features. However, these approaches do not provide exactly makes up a good explanation [5], [6]. Therefore contrasting explanations, in which we are interested here.

Dimensionality reduction techniques map values from a high dimensional space to one with a lower dimension. The result is a space which requires less physical memory and has a faster distance calculation. These techniques are widely used where required properties of the reduced-dimension space give an acceptable accuracy with respect to the original space. Many such transforms have been described. They have been classified in two main groups: linear and topological. Linear methods such as Principal Component Analysis (PCA) and Random Projection (RP) define matrix-based transforms into a lower dimension of Euclidean space. Topological methods such as Multidimensional Scaling (MDS) attempt to preserve higher-level aspects such as the nearest-neighbour relation, and some may be applied to non-Euclidean spaces. Here, we introduce nSimplex Zen, a novel topological method of reducing dimensionality. Like MDS, it relies only upon pairwise distances measured in the original space. The use of distances, rather than coordinates, allows the technique to be applied to both Euclidean and other Hilbert spaces, including those governed by Cosine, Jensen-Shannon and Quadratic Form distances. We show that in almost all cases, due to geometric properties of high-dimensional spaces, our new technique gives better properties than others, especially with reduction to very low dimensions.

We introduce LOT Wassmap, a computationally feasible algorithm to uncover low-dimensional structures in the Wasserstein space. The algorithm is motivated by the observation that many datasets are naturally interpreted as probability measures rather than points in $\mathbb{R}^n$, and that finding low-dimensional descriptions of such datasets requires manifold learning algorithms in the Wasserstein space. Most available algorithms are based on computing the pairwise Wasserstein distance matrix, which can be computationally challenging for large datasets in high dimensions. Our algorithm leverages approximation schemes such as Sinkhorn distances and linearized optimal transport to speed-up computations, and in particular, avoids computing a pairwise distance matrix. We provide guarantees on the embedding quality under such approximations, including when explicit descriptions of the probability measures are not available and one must deal with finite samples instead. Experiments demonstrate that LOT Wassmap attains correct embeddings and that the quality improves with increased sample size. We also show how LOT Wassmap significantly reduces the computational cost when compared to algorithms that depend on pairwise distance computations.