No Arabic abstract
There are many methods developed to approximate a cloud of vectors embedded in high-dimensional space by simpler objects: starting from principal points and linear manifolds to self-organizing maps, neural gas, elastic maps, various types of principal curves and principal trees, and so on. For each type of approximators the measure of the approximator complexity was developed too. These measures are necessary to find the balance between accuracy and complexity and to define the optimal approximations of a given type. We propose a measure of complexity (geometrical complexity) which is applicable to approximators of several types and which allows comparing data approximations of different types.
Deep kernel processes (DKPs) generalise Bayesian neural networks, but do not require us to represent either features or weights. Instead, at each hidden layer they represent and optimize a flexible kernel. Here, we develop a Newton-like method for DKPs that converges in around 10 steps, exploiting matrix solvers initially developed in the control theory literature. These are many times faster the usual gradient descent approach. We generalise to arbitrary DKP architectures, by developing kernel backprop, and algorithms for kernel autodiff. While these methods currently are not Bayesian as they give point estimates and scale poorly as they are cubic in the number of datapoints, we hope they will form the basis of a new class of much more efficient approaches to optimizing deep nonlinear function approximators.
We study a general class of bilevel problems, consisting in the minimization of an upper-level objective which depends on the solution to a parametric fixed-point equation. Important instances arising in machine learning include hyperparameter optimization, meta-learning, and certain graph and recurrent neural networks. Typically the gradient of the upper-level objective (hypergradient) is hard or even impossible to compute exactly, which has raised the interest in approximation methods. We investigate some popular approaches to compute the hypergradient, based on reverse mode iterative differentiation and approximate implicit differentiation. Under the hypothesis that the fixed point equation is defined by a contraction mapping, we present a unified analysis which allows for the first time to quantitatively compare these methods, providing explicit bounds for their iteration complexity. This analysis suggests a hierarchy in terms of computational efficiency among the above methods, with approximate implicit differentiation based on conjugate gradient performing best. We present an extensive experimental comparison among the methods which confirm the theoretical findings.
Recently there has been a surge of interest in understanding implicit regularization properties of iterative gradient-based optimization algorithms. In this paper, we study the statistical guarantees on the excess risk achieved by early-stopped unconstrained mirror descent algorithms applied to the unregularized empirical risk with the squared loss for linear models and kernel methods. By completing an inequality that characterizes convexity for the squared loss, we identify an intrinsic link between offset Rademacher complexities and potential-based convergence analysis of mirror descent methods. Our observation immediately yields excess risk guarantees for the path traced by the iterates of mirror descent in terms of offset complexities of certain function classes depending only on the choice of the mirror map, initialization point, step-size, and the number of iterations. We apply our theory to recover, in a clean and elegant manner via rather short proofs, some of the recent results in the implicit regularization literature, while also showing how to improve upon them in some settings.
Popular machine learning estimators involve regularization parameters that can be challenging to tune, and standard strategies rely on grid search for this task. In this paper, we revisit the techniques of approximating the regularization path up to predefined tolerance $epsilon$ in a unified framework and show that its complexity is $O(1/sqrt[d]{epsilon})$ for uniformly convex loss of order $d geq 2$ and $O(1/sqrt{epsilon})$ for Generalized Self-Concordant functions. This framework encompasses least-squares but also logistic regression, a case that as far as we know was not handled as precisely in previous works. We leverage our technique to provide refined bounds on the validation error as well as a practical algorithm for hyperparameter tuning. The latter has global convergence guarantee when targeting a prescribed accuracy on the validation set. Last but not least, our approach helps relieving the practitioner from the (often neglected) task of selecting a stopping criterion when optimizing over the training set: our method automatically calibrates this criterion based on the targeted accuracy on the validation set.
We consider the theory of regression on a manifold using reproducing kernel Hilbert space methods. Manifold models arise in a wide variety of modern machine learning problems, and our goal is to help understand the effectiveness of various implicit and explicit dimensionality-reduction methods that exploit manifold structure. Our first key contribution is to establish a novel nonasymptotic version of the Weyl law from differential geometry. From this we are able to show that certain spaces of smooth functions on a manifold are effectively finite-dimensional, with a complexity that scales according to the manifold dimension rather than any ambient data dimension. Finally, we show that given (potentially noisy) function values taken uniformly at random over a manifold, a kernel regression estimator (derived from the spectral decomposition of the manifold) yields minimax-optimal error bounds that are controlled by the effective dimension.