Metric Multidimensional scaling (MDS) is a classical method for generating meaningful (non-linear) low-dimensional embeddings of high-dimensional data. MDS has a long history in the statistics, machine learning, and graph drawing communities. In particular, the Kamada-Kawai force-directed graph drawing method is equivalent to MDS and is one of the most popular ways in practice to embed graphs into low dimensions. Despite its ubiquity, our theoretical understanding of MDS remains limited as its objective function is highly non-convex. In this paper, we prove that minimizing the Kamada-Kawai objective is NP-hard and give a provable approximation algorithm for optimizing it, which in particular is a PTAS on low-diameter graphs. We supplement this result with experiments suggesting possible connections between our greedy approximation algorithm and gradient-based methods.
We show that isogeometric Galerkin discretizations of eigenvalue problems related to the Laplace operator subject to any standard type of homogeneous boundary conditions have no outliers in certain optimal spline subspaces. Roughly speaking, these optimal subspaces are obtained from the full spline space defined on certain uniform knot sequences by imposing specific additional boundary conditions. The spline subspaces of interest have been introduced in the literature some years ago when proving their optimality with respect to Kolmogorov $n$-widths in $L^2$-norm for some function classes. The eigenfunctions of the Laplacian -- with any standard type of homogeneous boundary conditions -- belong to such classes. Here we complete the analysis of the approximation properties of these optimal spline subspaces. In particular, we provide explicit $L^2$ and $H^1$ error estimates with full approximation order for Ritz projectors in the univariate and in the multivariate tensor-product setting. Besides their intrinsic interest, these estimates imply that, for a fixed number of degrees of freedom, all the eigenfunctions and the corresponding eigenvalues are well approximated, without loss of accuracy in the whole spectrum when compared to the full spline space. Moreover, there are no spurious values in the approximated spectrum. In other words, the considered subspaces provide accurate outlier-free discretizations in the univariate and in the multivariate tensor-product case. This main contribution is complemented by an explicit construction of B-spline-like bases for the considered spline subspaces. The role of such spaces as accurate discretization spaces for addressing general problems with non-homogeneous boundary behavior is discussed as well.
In this work we obtain results related to the approximation of $h$-dimensional dominant subspaces and low rank approximations of matrices $ A\in\mathbb K^{m\times n}$ (where $\mathbb K=\mathbb R$ or $\mathbb C)$ in case there is no singular gap at the index $h$, i.e. if $\sigma_h=\sigma_{h+1}$ (where $\sigma_1\geq \ldots\geq \sigma_p\geq 0$ denote the singular values of $ A$, and $p=\min\{m,n\}$). In order to do this, we develop a novel perspective for the convergence analysis of the classical deterministic block Krylov methods in this context. Indeed, starting with a matrix $ X\in\mathbb K^{n\times r}$ with $r\geq h$ satisfying a compatibility assumption with some $h$-dimensional right dominant subspace, we show that block Krylov methods produce arbitrarily good approximations for both problems mentioned above. Our approach is based on recent work by Drineas, Ipsen, Kontopoulou and Magdon-Ismail on approximation of structural left dominant subspaces. The main difference between our work and previous work on this topic is that instead of exploiting a singular gap at $h$ (which is zero in this case) we exploit the nearest existing singular gaps.
When the sizes of the state and action spaces are large, solving MDPs can be computationally prohibitive even if the probability transition matrix is known. So in practice, a number of techniques are used to approximately solve the dynamic programming problem, including lookahead, approximate policy evaluation using an m-step return, and function approximation. In a recent paper, (Efroni et al. 2019) studied the impact of lookahead on the convergence rate of approximate dynamic programming. In this paper, we show that these convergence results change dramatically when function approximation is used in conjunction with lookout and approximate policy evaluation using an m-step return. Specifically, we show that when linear function approximation is used to represent the value function, a certain minimum amount of lookahead and multi-step return is needed for the algorithm to even converge. And when this condition is met, we characterize the finite-time performance of policies obtained using such approximate policy iteration. Our results are presented for two different procedures to compute the function approximation: linear least-squares regression and gradient descent.
Very often, in the course of uncertainty quantification tasks or data analysis, one has to deal with high-dimensional random variables (RVs). A high-dimensional RV can be described by its probability density (pdf) and/or by the corresponding probability characteristic functions (pcf), or by a polynomial chaos (PCE) or similar expansion. Here the interest is mainly to compute characterisations like the entropy, or relations between two distributions, like their Kullback-Leibler divergence. These are all computed from the pdf, which is often not available directly, and it is a computational challenge to even represent it in a numerically feasible fashion in case the dimension $d$ is even moderately large. In this regard, we propose to represent the density by a high order tensor product, and approximate this in a low-rank format. We show how to go from the pcf or functional representation to the pdf. This allows us to reduce the computational complexity and storage cost from an exponential to a linear. The characterisations such as entropy or the $f$-divergences need the possibility to compute point-wise functions of the pdf. This normally rather trivial task becomes more difficult when the pdf is approximated in a low-rank tensor format, as the point values are not directly accessible any more. The data is considered as an element of a high order tensor space. The considered algorithms are independent of the representation of the data as a tensor. All that we require is that the data can be considered as an element of an associative, commutative algebra with an inner product. Such an algebra is isomorphic to a commutative sub-algebra of the usual matrix algebra, allowing the use of matrix algorithms to accomplish the mentioned tasks.
Optimal transport (OT) naturally arises in a wide range of machine learning applications but may often become the computational bottleneck. Recently, one line of works propose to solve OT approximately by searching the \emph{transport plan} in a low-rank subspace. However, the optimal transport plan is often not low-rank, which tends to yield large approximation errors. For example, when Monge's \emph{transport map} exists, the transport plan is full rank. This paper concerns the computation of the OT distance with adequate accuracy and efficiency. A novel approximation for OT is proposed, in which the transport plan can be decomposed into the sum of a low-rank matrix and a sparse one. We theoretically analyze the approximation error. An augmented Lagrangian method is then designed to efficiently calculate the transport plan.
The matrix normal model, the family of Gaussian matrix-variate distributions whose covariance matrix is the Kronecker product of two lower dimensional factors, is frequently used to model matrix-variate data. The tensor normal model generalizes this family to Kronecker products of three or more factors. We study the estimation of the Kronecker factors of the covariance matrix in the matrix and tensor models. We show nonasymptotic bounds for the error achieved by the maximum likelihood estimator (MLE) in several natural metrics. In contrast to existing bounds, our results do not rely on the factors being well-conditioned or sparse. For the matrix normal model, all our bounds are minimax optimal up to logarithmic factors, and for the tensor normal model our bound for the largest factor and overall covariance matrix are minimax optimal up to constant factors provided there are enough samples for any estimator to obtain constant Frobenius error. In the same regimes as our sample complexity bounds, we show that an iterative procedure to compute the MLE known as the flip-flop algorithm converges linearly with high probability. Our main tool is geodesic strong convexity in the geometry on positive-definite matrices induced by the Fisher information metric. This strong convexity is determined by the expansion of certain random quantum channels. We also provide numerical evidence that combining the flip-flop algorithm with a simple shrinkage estimator can improve performance in the undersampled regime.
Residual networks (ResNets) have displayed impressive results in pattern recognition and, recently, have garnered considerable theoretical interest due to a perceived link with neural ordinary differential equations (neural ODEs). This link relies on the convergence of network weights to a smooth function as the number of layers increases. We investigate the properties of weights trained by stochastic gradient descent and their scaling with network depth through detailed numerical experiments. We observe the existence of scaling regimes markedly different from those assumed in neural ODE literature. Depending on certain features of the network architecture, such as the smoothness of the activation function, one may obtain an alternative ODE limit, a stochastic differential equation or neither of these. These findings cast doubts on the validity of the neural ODE model as an adequate asymptotic description of deep ResNets and point to an alternative class of differential equations as a better description of the deep network limit.
UMAP (Uniform Manifold Approximation and Projection) is a novel manifold learning technique for dimension reduction. UMAP is constructed from a theoretical framework based in Riemannian geometry and algebraic topology. The result is a practical scalable algorithm that applies to real world data. The UMAP algorithm is competitive with t-SNE for visualization quality, and arguably preserves more of the global structure with superior run time performance. Furthermore, UMAP has no computational restrictions on embedding dimension, making it viable as a general purpose dimension reduction technique for machine learning.
We consider the task of learning the parameters of a {\em single} component of a mixture model, for the case when we are given {\em side information} about that component, we call this the "search problem" in mixture models. We would like to solve this with computational and sample complexity lower than solving the overall original problem, where one learns parameters of all components. Our main contributions are the development of a simple but general model for the notion of side information, and a corresponding simple matrix-based algorithm for solving the search problem in this general setting. We then specialize this model and algorithm to four common scenarios: Gaussian mixture models, LDA topic models, subspace clustering, and mixed linear regression. For each one of these we show that if (and only if) the side information is informative, we obtain parameter estimates with greater accuracy, and also improved computation complexity than existing moment based mixture model algorithms (e.g. tensor methods). We also illustrate several natural ways one can obtain such side information, for specific problem instances. Our experiments on real data sets (NY Times, Yelp, BSDS500) further demonstrate the practicality of our algorithms showing significant improvement in runtime and accuracy.
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.