Optimization
Implicit differentiation of Lasso-type models for hyperparameter optimization
Bertrand, Quentin, Klopfenstein, Quentin, Blondel, Mathieu, Vaiter, Samuel, Gramfort, Alexandre, Salmon, Joseph
Setting regularization parameters for Lasso-type estimators is notoriously difficult, though crucial in practice. The most popular hyperparameter optimization approach is grid-search using held-out validation data. Grid-search however requires to choose a predefined grid for each parameter, which scales exponentially in the number of parameters. Another approach is to cast hyperparameter optimization as a bi-level optimization problem, one can solve by gradient descent. The key challenge for these methods is the estimation of the gradient with respect to the hyperparameters. Computing this gradient via forward or backward automatic differentiation is possible yet usually suffers from high memory consumption. Alternatively implicit differentiation typically involves solving a linear system which can be prohibitive and numerically unstable in high dimension. In addition, implicit differentiation usually assumes smooth loss functions, which is not the case for Lasso-type problems. This work introduces an efficient implicit differentiation algorithm, without matrix inversion, tailored for Lasso-type problems. Our approach scales to high-dimensional data by leveraging the sparsity of the solutions. Experiments demonstrate that the proposed method outperforms a large number of standard methods to optimize the error on held-out data, or the Stein Unbiased Risk Estimator (SURE).
Second-order Conditional Gradients
Carderera, Alejandro, Pokutta, Sebastian
An immensely powerful approach when X R n is to construct a second-order approximation to f(x) at the current iterate using first and second order information, denoted by หf(x), and move in the direction that minimizes this approximation, giving rise to a family of methods known as Newton methods (Kantorovich, 1948). A damped variant of the former applied to the minimization of a self-concordant function, converges globally, and shows quadratic local convergence when the iterates are close enough to the optimum (Nesterov & Nemirovskii, 1994). The global convergence of this method also extends to strongly convex and smooth function (Nesterov & Nemirovskii, 1994; Nesterov, 2013). Using a cubic regularized version of Newton's method, the global convergence of the method can also be extended to a broader class of functions than that of self-concordant or strongly convex and smooth functions (Nesterov & Polyak, 2006). When X R n is a convex set, one can use a constrained analog of these methods (Levitin & Polyak, 1966), where a quadratic approximation to the function is minimized over X at each iteration.
Fast Differentiable Sorting and Ranking
Blondel, Mathieu, Teboul, Olivier, Berthet, Quentin, Djolonga, Josip
The sorting operation is one of the most basic and commonly used building blocks in computer programming. In machine learning, it is commonly used for robust statistics. However, seen as a function, it is piecewise linear and as a result includes many kinks at which it is non-differentiable. More problematic is the related ranking operator, commonly used for order statistics and ranking metrics. It is a piecewise constant function, meaning that its derivatives are null or undefined. While numerous works have proposed differentiable proxies to sorting and ranking, they do not achieve the $O(n \log n)$ time complexity one would expect from sorting and ranking operations. In this paper, we propose the first differentiable sorting and ranking operators with $O(n \log n)$ time and $O(n)$ space complexity. Our proposal in addition enjoys exact computation and differentiation. We achieve this feat by constructing differentiable sorting and ranking operators as projections onto the permutahedron, the convex hull of permutations, and using a reduction to isotonic optimization. Empirically, we confirm that our approach is an order of magnitude faster than existing approaches and showcase two novel applications: differentiable Spearman's rank correlation coefficient and soft least trimmed squares.
Stochastic Optimization for Regularized Wasserstein Estimators
Ballu, Marin, Berthet, Quentin, Bach, Francis
Optimal transport is a foundational problem in optimization, that allows to compare probability distributions while taking into account geometric aspects. Its optimal objective value, the Wasserstein distance, provides an important loss between distributions that has been used in many applications throughout machine learning and statistics. Recent algorithmic progress on this problem and its regularized versions have made these tools increasingly popular. However, existing techniques require solving an optimization problem to obtain a single gradient of the loss, thus slowing down first-order methods to minimize the sum of losses, that require many such gradient computations. In this work, we introduce an algorithm to solve a regularized version of this problem of Wasserstein estimators, with a time per step which is sublinear in the natural dimensions of the problem. We introduce a dual formulation, and optimize it with stochastic gradient steps that can be computed directly from samples, without solving additional optimization problems at each step. Doing so, the estimation and computation tasks are performed jointly. We show that this algorithm can be extended to other tasks, including estimation of Wasserstein barycenters. We provide theoretical guarantees and illustrate the performance of our algorithm with experiments on synthetic data.
Learning with Differentiable Perturbed Optimizers
Berthet, Quentin, Blondel, Mathieu, Teboul, Olivier, Cuturi, Marco, Vert, Jean-Philippe, Bach, Francis
Machine learning pipelines often rely on optimization procedures to make discrete decisions (e.g. sorting, picking closest neighbors, finding shortest paths or optimal matchings). Although these discrete decisions are easily computed in a forward manner, they cannot be used to modify model parameters using first-order optimization techniques because they break the back-propagation of computational graphs. In order to expand the scope of learning problems that can be solved in an end-to-end fashion, we propose a systematic method to transform a block that outputs an optimal discrete decision into a differentiable operation. Our approach relies on stochastic perturbations of these parameters, and can be used readily within existing solvers without the need for ad hoc regularization or smoothing. These perturbed optimizers yield solutions that are differentiable and never locally constant. The amount of smoothness can be tuned via the chosen noise amplitude, whose impact we analyze. The derivatives of these perturbed solvers can be evaluated efficiently. We also show how this framework can be connected to a family of losses developed in structured prediction, and describe how these can be used in unsupervised and supervised learning, with theoretical guarantees. We demonstrate the performance of our approach on several machine learning tasks in experiments on synthetic and real data.
Optimizing Black-box Metrics with Adaptive Surrogates
Jiang, Qijia, Adigun, Olaoluwa, Narasimhan, Harikrishna, Fard, Mahdi Milani, Gupta, Maya
We address the problem of training models with black-box and hard-to-optimize metrics by expressing the metric as a monotonic function of a small number of easy-to-optimize surrogates. We pose the training problem as an optimization over a relaxed surrogate space, which we solve by estimating local gradients for the metric and performing inexact convex projections. We analyze gradient estimates based on finite differences and local linear interpolations, and show convergence of our approach under smoothness assumptions with respect to the surrogates. Experimental results on classification and ranking problems verify the proposal performs on par with methods that know the mathematical formulation, and adds notable value when the form of the metric is unknown.
Adaptive Sampling Distributed Stochastic Variance Reduced Gradient for Heterogeneous Distributed Datasets
Ramazanli, Ilqar, Nguyen, Han, Pham, Hai, Reddi, Sashank, Poczos, Barnabas
We study distributed optimization algorithms for minimizing the average of \emph{heterogeneous} functions distributed across several machines with a focus on communication efficiency. In such settings, naively using the classical stochastic gradient descent (SGD) or its variants (e.g., SVRG) with a uniform sampling of machines typically yields poor performance. It often leads to the dependence of convergence rate on maximum Lipschitz constant of gradients across the devices. In this paper, we propose a novel \emph{adaptive} sampling of machines specially catered to these settings. Our method relies on an adaptive estimate of local Lipschitz constants base on the information of past gradients. We show that the new way improves the dependence of convergence rate from maximum Lipschitz constant to \emph{average} Lipschitz constant across machines, thereby, significantly accelerating the convergence. Our experiments demonstrate that our method indeed speeds up the convergence of the standard SVRG algorithm in heterogeneous environments.
A Unified Framework for Gaussian Mixture Reduction with Composite Transportation Distance
Gaussian mixture reduction (GMR) is the problem of approximating a finite Gaussian mixture by one with fewer components. It is widely used in density estimation, nonparametric belief propagation, and Bayesian recursive filtering. Although optimization and clustering-based algorithms have been proposed for GMR, they are either computationally expensive or lacking in theoretical supports. In this work, we propose to perform GMR by minimizing the entropic regularized composite transportation distance between two mixtures. We show our approach provides a unified framework for GMR that is both interpretable and computationally efficient. Our work also bridges the gap between optimization and clustering-based approaches for GMR. A Majorization-Minimization algorithm is developed for our optimization problem and its theoretical convergence is also established in this paper. Empirical experiments are also conducted to show the effectiveness of GMR. The effect of the choice of transportation cost on the performance of GMR is also investigated.
A Unified Convergence Analysis for Shuffling-Type Gradient Methods
Nguyen, Lam M., Tran-Dinh, Quoc, Phan, Dzung T., Nguyen, Phuong Ha, van Dijk, Marten
In this paper, we provide a unified convergence analysis for a class of shuffling-type gradient methods for solving a well-known finite-sum minimization problem commonly used in machine learning. This algorithm covers various variants such as randomized reshuffling, single shuffling, and cyclic/incremental gradient schemes. We consider two different settings: strongly convex and non-convex problems. Our main contribution consists of new non-asymptotic and asymptotic convergence rates for a general class of shuffling-type gradient methods to solve both non-convex and strongly convex problems. While our rate in the non-convex problem is new (i.e. not known yet under standard assumptions), the rate on the strongly convex case matches (up to a constant) the best-known results. However, unlike existing works in this direction, we only use standard assumptions such as smoothness and strong convexity. Finally, we empirically illustrate the effect of learning rates via a non-convex logistic regression and neural network examples.
Optimistic Policy Optimization with Bandit Feedback
Efroni, Yonathan, Shani, Lior, Rosenberg, Aviv, Mannor, Shie
Policy optimization methods are one of the most widely used classes of Reinforcement Learning (RL) algorithms. Yet, so far, such methods have been mostly analyzed from an optimization perspective, without addressing the problem of exploration, or by making strong assumptions on the interaction with the environment. In this paper we consider model-based RL in the tabular finite-horizon MDP setting with unknown transitions and bandit feedback. For this setting, we propose an optimistic trust region policy optimization (TRPO) algorithm for which we establish $\tilde O(\sqrt{S^2 A H^4 K})$ regret for stochastic rewards. Furthermore, we prove $\tilde O( \sqrt{ S^2 A H^4 } K^{2/3} ) $ regret for adversarial rewards. Interestingly, this result matches previous bounds derived for the bandit feedback case, yet with known transitions. To the best of our knowledge, the two results are the first sub-linear regret bounds obtained for policy optimization algorithms with unknown transitions and bandit feedback.