Score the Algebra, Not the Span: Dimension Reduction for Transfer Operator Models of Dynamical Systems

Dimension reduction for dynamical systems is standard practice, and the standard route is spectral: model the transfer (Koopman) operator by its leading modes. We show that on systems assembled from several weakly interacting components --- a structure common in physical and biological settings --- this may either require an exponential number of modes, or drop an entire component: the component is absent from the model rather than modeled coarsely, and no function of it can be predicted at any accuracy. We call this linear masking. The cause is that a rank-based model pays one coordinate per mode. We propose to score instead the $σ$-algebra the coordinates generate, so that products and powers come free and a component's cost is governed only by its generators rather than by all its interactions. The criterion is a $χ^2$-divergence between the embedded present and future, and it carries a budget guarantee: twice the intrinsic dimension of the dynamics is enough coordinates for an embedding whose algebra carries the operator's entire spectrum, with its full infinite rank. In variational form the criterion admits off-the-shelf estimators, and restricting its critic to the bilinear class returns the VAMP score on the span, so rank-based methods are one end of the same family. We demonstrate the proposed objective on a composite of published benchmark systems. We exhibit examples where the rank-based methods completely miss the masked components at all ranks $k<100$, while ten algebra coordinates recover all of them. In addition, the resulting algebra representation supports predicting the masked components from few labels, while direct regression from the high-dimensional observation or from the VAMP features fail.

Twoblock clustering trees with coskewness-based dimension reduction: recovering piecewise multivariate linear regimes

The twoblock clustering tree (\tbtree) is introduced as a highly interpretable regression tree for multivariate responses. Twoblock trees are deterministic decision trees that have local multivariate linear models as their leaves and use dense or sparse twoblock dimension reduction as local leaf models and in the impurity. The resulting models are both computationally efficient and can be highly interpretable. Beyond proposing the decision tree estimator itself, this paper also introduces an estimator for the twoblock dimension reduced space based on maximizing coskewness, which facilitates identification of non-normal clusters in the data. The tree inherently produces a set of local linear models and is therefore apt to recover peicewise linear regimes, which is illustrated in a simulation. However, two real world data examples illustrate that twoblock trees are also capable of modeling more complexly nonlinear dependencies and can perform on par with black box modeling techniques, such as random forests. At each point, both the twoblock models that generate the splits, as well as the ones in the leaves, can be inspected and interpreted.

A Bayesian Framework for Built-in Input Dimension Reduction for Gaussian Process Modeling

Gaussian process (GP) modeling is widely used in computational science and engineering. However, fitting a GP to high-dimensional inputs remains challenging due to the curse of dimensionality. While various methods have been proposed to reduce input dimensionality, they typically follow a two-stage approach, performing dimension reduction and GP fitting separately. We introduce a Bayesian framework that seamlessly integrates dimensionality reduction with GP modeling and inference. Our approach, built on a hierarchical Bayesian model with priors on the Stiefel manifold, enforces orthonormality on the projection matrix and enables posterior inference via Hamiltonian Monte Carlo with geodesic flow. Additionally, we extend this framework by incorporating Deep Gaussian Processes (DGP) with built-in dimension reduction, providing a more flexible and powerful tool for complex datasets. Through extensive numerical studies, we demonstrate that while the proposed Bayesian method incurs higher computational costs, it improves predictive performance and uncertainty quantification, providing a principled and robust alternative to existing methods.

Parsimonious Mixtures of Skewed Bilinear Factor Analyzers

Mixture models which cluster skewed random matrices can often suffer from over-parameterization in the absence of performing dimension reduction. Even with the use of bilinear factor analyzers, further parameter reduction can be achieved by constraining parameters over clusters. In this manuscript propose a parsimonious family of 256 models for mixtures of skewed matrix variate bilinear factor analyzers, specifically in the case of the skew t distribution. An AECM algorithm for parameter estimation is discussed in detail. Further, extensive simulations are performed, and the method is considered in the case of the MNIST dataset and the Olivetti faces dataset.

Terminal Dimension Reduction for Time Series with Applications

Terminal embeddings have emerged as a powerful tool for dimension reduction. Given a set of points $P\subset \mathbb{R}^d$, a terminal embedding is a mapping $f:\mathbb{R}^d\rightarrow \mathbb{R}^t$ that preserves the pairwise distance between any pair of points $p\in P$ and $q\in \mathbb{R}^d$ up to small distortion under this mapping. Terminal embeddings have been particularly fruitful for constructing $k$-means and $k$-median coresets, where the objective is to find a typically weighted subset $Ω$ of $P$ such that for any candidate solution, the cost of the clustering objective on $Ω$ approximates the cost of the clustering objective on $P$ up to small distortion. Unfortunately, these techniques have not been extended to more complicated structures such as clustering time-series data under common straight-line interpolation between measurements. The main issue is that terminal embeddings, arguably the central technique in this line of research, cannot be linear and are thus not immediately suitable to preserve linear structures. In this work, we develop a generalization of terminal embeddings to affine line-segments that overcomes this issue. We showcase their applicability by using our lines-preserving terminal embeddings to obtain the first dimension-free coresets for clustering time-series under the Fréchet distance. The underlying dimension reduction uses Johnson-Lindenstrauss (JL) embeddings, and our experiments indicate that terminal embeddings perform similarly to JL and favorably against PCA for synthetic and real-world time-series, while only terminal embeddings extend pairwise distance preservation to the full ambient space.

Anchor PCA

Principal component analysis (PCA) is one of the most widely used unsupervised dimension reduction techniques. We study PCA for data from multiple related domains. Since principal components generally differ across domains, one way to obtain a shared low-rank embedding is to perform PCA on the pooled data. However, this approach can focus on spurious directions that exhibit high variation in only a few domains. To find a robust embedding that still explains most variance in unseen but similar domains, we propose instead to focus on shared directions of variation. To this end, we introduce Anchor PCA which trades off overall explained variance with agreement between the shared and domain-specific low-rank embeddings. Anchor PCA amounts to PCA on a modified target matrix and thus can be solved efficiently. Moreover, we show that Anchor PCA recovers a maximal invariant subspace and admits a minimax reconstruction interpretation under bounded domain-specific covariance inflations. On simulated and real-world gas sensor data with temporal drift, we demonstrate, respectively, that Anchor PCA recovers the maximally invariant subspace and yields embeddings that explain more variance on unseen domains than the pooling baseline and a worst-case alternative. Taken together, these findings establish Anchor PCA as a promising approach to robust unsupervised dimension reduction from multi-domain data.