Motivated by establishing theoretical foundations for various manifold learning algorithms, we study the problem of Mahalanobis distance (MD), and the associated precision matrix, estimation from high-dimensional noisy data. By relying on recent transformative results in covariance matrix estimation, we demonstrate the sensitivity of \MD~and the associated precision matrix to measurement noise, determining the exact asymptotic signal-to-noise ratio at which MD fails, and quantifying its performance otherwise. In addition, for an appropriate loss function, we propose an asymptotically optimal shrinker, which is shown to be beneficial over the classical implementation of the MD, both analytically and in simulations. The result is extended to the manifold setup, where the nonlinear interaction between curvature and high-dimensional noise is taken care of. The developed solution is applied to study a multiscale reduction problem in the dynamical system analysis.
Several works in implicit and explicit generative modeling empirically observed that feature-learning discriminators outperform fixed-kernel discriminators in terms of the sample quality of the models. We provide separation results between probability metrics with fixed-kernel and feature-learning discriminators using the function classes $\mathcal{F}_2$ and $\mathcal{F}_1$ respectively, which were developed to study overparametrized two-layer neural networks. In particular, we construct pairs of distributions over hyper-spheres that can not be discriminated by fixed kernel $(\mathcal{F}_2)$ integral probability metric (IPM) and Stein discrepancy (SD) in high dimensions, but that can be discriminated by their feature learning ($\mathcal{F}_1$) counterparts. To further study the separation we provide links between the $\mathcal{F}_1$ and $\mathcal{F}_2$ IPMs with sliced Wasserstein distances. Our work suggests that fixed-kernel discriminators perform worse than their feature learning counterparts because their corresponding metrics are weaker.
The problem of finding the unique low dimensional decomposition of a given matrix has been a fundamental and recurrent problem in many areas. In this paper, we study the problem of seeking a unique decomposition of a low rank matrix $Y\in \mathbb{R}^{p\times n}$ that admits a sparse representation. Specifically, we consider $Y = A X\in \mathbb{R}^{p\times n}$ where the matrix $A\in \mathbb{R}^{p\times r}$ has full column rank, with $r < \min\{n,p\}$, and the matrix $X\in \mathbb{R}^{r\times n}$ is element-wise sparse. We prove that this sparse decomposition of $Y$ can be uniquely identified, up to some intrinsic signed permutation. Our approach relies on solving a nonconvex optimization problem constrained over the unit sphere. Our geometric analysis for the nonconvex optimization landscape shows that any {\em strict} local solution is close to the ground truth solution, and can be recovered by a simple data-driven initialization followed with any second order descent algorithm. At last, we corroborate these theoretical results with numerical experiments.
We study the gradient flow for a relaxed approximation to the Kullback-Leibler (KL) divergence between a moving source and a fixed target distribution. This approximation, termed the KALE (KL approximate lower-bound estimator), solves a regularized version of the Fenchel dual problem defining the KL over a restricted class of functions. When using a Reproducing Kernel Hilbert Space (RKHS) to define the function class, we show that the KALE continuously interpolates between the KL and the Maximum Mean Discrepancy (MMD). Like the MMD and other Integral Probability Metrics, the KALE remains well defined for mutually singular distributions. Nonetheless, the KALE inherits from the limiting KL a greater sensitivity to mismatch in the support of the distributions, compared with the MMD. These two properties make the KALE gradient flow particularly well suited when the target distribution is supported on a low-dimensional manifold. Under an assumption of sufficient smoothness of the trajectories, we show the global convergence of the KALE flow. We propose a particle implementation of the flow given initial samples from the source and the target distribution, which we use to empirically confirm the KALE's properties.
Normalizing flows are inevitable neural networks with tractable change-of-volume terms, which allow optimization of their parameters to be efficiently performed via maximum likelihood. However, data of interest are typically assumed to live in some (often unknown) low-dimensional manifold embedded in a high-dimensional ambient space. The result is a modelling mismatch since -- by construction -- the invertibility requirement implies high-dimensional support of the learned distribution. Injective flows, mappings from low- to high-dimensional spaces, aim to fix this discrepancy by learning distributions on manifolds, but the resulting volume-change term becomes more challenging to evaluate. Current approaches either avoid computing this term entirely using various heuristics, or assume the manifold is known beforehand and therefore are not widely applicable. Instead, we propose two methods to tractably calculate the gradient of this term with respect to the parameters of the model, relying on careful use of automatic differentiation and techniques from numerical linear algebra. Both approaches perform end-to-end nonlinear manifold learning and density estimation for data projected onto this manifold. We study the trade-offs between our proposed methods, empirically verify that we outperform approaches ignoring the volume-change term by more accurately learning manifolds and the corresponding distributions on them, and show promising results on out-of-distribution detection. Our code is available at //github.com/layer6ai-labs/rectangular-flows.
Low-rank matrix models have been universally useful for numerous applications starting from classical system identification to more modern matrix completion in signal processing and statistics. The nuclear norm has been employed as a convex surrogate of the low-rankness since it induces a low-rank solution to inverse problems. While the nuclear norm for low-rankness has a nice analogy with the $\ell_1$ norm for sparsity through the singular value decomposition, other matrix norms also induce low-rankness. Particularly as one interprets a matrix as a linear operator between Banach spaces, various tensor product norms generalize the role of the nuclear norm. We provide a tensor-norm-constrained estimator for recovery of approximately low-rank matrices from local measurements corrupted with noise. A tensor-norm regulizer is designed adapting to the local structure. We derive statistical analysis of the estimator over matrix completion and decentralized sketching through applying Maurey's empirical method to tensor products of Banach spaces. The estimator provides a near optimal error bound in a minimax sense and admits a polynomial-time algorithm for these applications.
The use of orthogonal projections on high-dimensional input and target data in learning frameworks is studied. First, we investigate the relations between two standard objectives in dimension reduction, maximizing variance and preservation of pairwise relative distances. The derivation of their asymptotic correlation and numerical experiments tell that a projection usually cannot satisfy both objectives. In a standard classification problem we determine projections on the input data that balance them and compare subsequent results. Next, we extend our application of orthogonal projections to deep learning frameworks. We introduce new variational loss functions that enable integration of additional information via transformations and projections of the target data. In two supervised learning problems, clinical image segmentation and music information classification, the application of the proposed loss functions increase the accuracy.
Proximal Policy Optimization (PPO) is a highly popular model-free reinforcement learning (RL) approach. However, in continuous state and actions spaces and a Gaussian policy -- common in computer animation and robotics -- PPO is prone to getting stuck in local optima. In this paper, we observe a tendency of PPO to prematurely shrink the exploration variance, which naturally leads to slow progress. Motivated by this, we borrow ideas from CMA-ES, a black-box optimization method designed for intelligent adaptive Gaussian exploration, to derive PPO-CMA, a novel proximal policy optimization approach that can expand the exploration variance on objective function slopes and shrink the variance when close to the optimum. This is implemented by using separate neural networks for policy mean and variance and training the mean and variance in separate passes. Our experiments demonstrate a clear improvement over vanilla PPO in many difficult OpenAI Gym MuJoCo tasks.
Metric learning learns a metric function from training data to calculate the similarity or distance between samples. From the perspective of feature learning, metric learning essentially learns a new feature space by feature transformation (e.g., Mahalanobis distance metric). However, traditional metric learning algorithms are shallow, which just learn one metric space (feature transformation). Can we further learn a better metric space from the learnt metric space? In other words, can we learn metric progressively and nonlinearly like deep learning by just using the existing metric learning algorithms? To this end, we present a hierarchical metric learning scheme and implement an online deep metric learning framework, namely ODML. Specifically, we take one online metric learning algorithm as a metric layer, followed by a nonlinear layer (i.e., ReLU), and then stack these layers modelled after the deep learning. The proposed ODML enjoys some nice properties, indeed can learn metric progressively and performs superiorly on some datasets. Various experiments with different settings have been conducted to verify these properties of the proposed ODML.
In this paper, we study the optimal convergence rate for distributed convex optimization problems in networks. We model the communication restrictions imposed by the network as a set of affine constraints and provide optimal complexity bounds for four different setups, namely: the function $F(\xb) \triangleq \sum_{i=1}^{m}f_i(\xb)$ is strongly convex and smooth, either strongly convex or smooth or just convex. Our results show that Nesterov's accelerated gradient descent on the dual problem can be executed in a distributed manner and obtains the same optimal rates as in the centralized version of the problem (up to constant or logarithmic factors) with an additional cost related to the spectral gap of the interaction matrix. Finally, we discuss some extensions to the proposed setup such as proximal friendly functions, time-varying graphs, improvement of the condition numbers.
In this paper we introduce a covariance framework for the analysis of EEG and MEG data that takes into account observed temporal stationarity on small time scales and trial-to-trial variations. We formulate a model for the covariance matrix, which is a Kronecker product of three components that correspond to space, time and epochs/trials, and consider maximum likelihood estimation of the unknown parameter values. An iterative algorithm that finds approximations of the maximum likelihood estimates is proposed. We perform a simulation study to assess the performance of the estimator and investigate the influence of different assumptions about the covariance factors on the estimated covariance matrix and on its components. Apart from that, we illustrate our method on real EEG and MEG data sets. The proposed covariance model is applicable in a variety of cases where spontaneous EEG or MEG acts as source of noise and realistic noise covariance estimates are needed for accurate dipole localization, such as in evoked activity studies, or where the properties of spontaneous EEG or MEG are themselves the topic of interest, such as in combined EEG/fMRI experiments in which the correlation between EEG and fMRI signals is investigated.