skip to main content


Title: A Theoretical and Empirical Comparison of Gradient Approximations in Derivative-Free Optimization
In this paper, we analyze several methods for approximating gradients of noisy functions using only function values. These methods include finite differences, linear interpolation, Gaussian smoothing, and smoothing on a sphere. The methods differ in the number of functions sampled, the choice of the sample points, and the way in which the gradient approximations are derived. For each method, we derive bounds on the number of samples and the sampling radius which guarantee favorable convergence properties for a line search or fixed step size descent method. To this end, we use the results in Berahas et al. (Global convergence rate analysis of a generic line search algorithm with noise, arXiv:​1910.​04055, 2019) and show how each method can satisfy the sufficient conditions, possibly only with some sufficiently large probability at each iteration, as happens to be the case with Gaussian smoothing and smoothing on a sphere. Finally, we present numerical results evaluating the quality of the gradient approximations as well as their performance in conjunction with a line search derivative-free optimization algorithm.  more » « less
Award ID(s):
2008434
NSF-PAR ID:
10301499
Author(s) / Creator(s):
; ; ;
Date Published:
Journal Name:
Foundations of Computational Mathematics
ISSN:
1615-3375
Format(s):
Medium: X
Sponsoring Org:
National Science Foundation
More Like this
  1. null (Ed.)
    We present a stochastic descent algorithm for unconstrained optimization that is particularly efficient when the objective function is slow to evaluate and gradients are not easily obtained, as in some PDE-constrained optimization and machine learning problems. The algorithm maps the gradient onto a low-dimensional ran- dom subspace of dimension at each iteration, similar to coordinate descent but without restricting directional derivatives to be along the axes. Without requiring a full gradient, this mapping can be performed by computing directional deriva- tives (e.g., via forward-mode automatic differentiation). We give proofs for conver- gence in expectation under various convexity assumptions as well as probabilistic convergence results under strong-convexity. Our method provides a novel extension to the well-known Gaussian smoothing technique to descent in subspaces of dimen- sion greater than one, opening the doors to new analysis of Gaussian smoothing when more than one directional derivative is used at each iteration. We also provide a finite-dimensional variant of a special case of the Johnson–Lindenstrauss lemma. Experimentally, we show that our method compares favorably to coordinate descent, Gaussian smoothing, gradient descent and BFGS (when gradients are calculated via forward-mode automatic differentiation) on problems from the machine learning and shape optimization literature. 
    more » « less
  2. Inference-based optimization via simulation, which substitutes Gaussian process (GP) learning for the structural properties exploited in mathematical programming, is a powerful paradigm that has been shown to be remarkably effective in problems of modest feasible-region size and decision-variable dimension. The limitation to “modest” problems is a result of the computational overhead and numerical challenges encountered in computing the GP conditional (posterior) distribution on each iteration. In this paper, we substantially expand the size of discrete-decision-variable optimization-via-simulation problems that can be attacked in this way by exploiting a particular GP—discrete Gaussian Markov random fields—and carefully tailored computational methods. The result is the rapid Gaussian Markov Improvement Algorithm (rGMIA), an algorithm that delivers both a global convergence guarantee and finite-sample optimality-gap inference for significantly larger problems. Between infrequent evaluations of the global conditional distribution, rGMIA applies the full power of GP learning to rapidly search smaller sets of promising feasible solutions that need not be spatially close. We carefully document the computational savings via complexity analysis and an extensive empirical study. Summary of Contribution: The broad topic of the paper is optimization via simulation, which means optimizing some performance measure of a system that may only be estimated by executing a stochastic, discrete-event simulation. Stochastic simulation is a core topic and method of operations research. The focus of this paper is on significantly speeding-up the computations underlying an existing method that is based on Gaussian process learning, where the underlying Gaussian process is a discrete Gaussian Markov Random Field. This speed-up is accomplished by employing smart computational linear algebra, state-of-the-art algorithms, and a careful divide-and-conquer evaluation strategy. Problems of significantly greater size than any other existing algorithm with similar guarantees can solve are solved as illustrations. 
    more » « less
  3. Ranzato, M.: ; Dauphin, Y. ; Liang, P.S. ; Wortman Vaughan, J. (Ed.)
    We consider a line-search method for continuous optimization under a stochastic setting where the function values and gradients are available only through inexact probabilistic zeroth and first-order oracles. These oracles capture multiple stan- dard settings including expected loss minimization and zeroth-order optimization. Moreover, our framework is very general and allows the function and gradient estimates to be biased. The proposed algorithm is simple to describe, easy to im- plement, and uses these oracles in a similar way as the standard deterministic line search uses exact function and gradient values. Under fairly general conditions on the oracles, we derive a high probability tail bound on the iteration complexity of the algorithm when applied to non-convex smooth functions. These results are stronger than those for other existing stochastic line search methods and apply in more general settings. 
    more » « less
  4. We consider a line-search method for continuous optimization under a stochastic setting where the function values and gradients are available only through inexact probabilistic zeroth and first-order oracles. These oracles capture multiple standard settings including expected loss minimization and zeroth-order optimization. Moreover, our framework is very general and allows the function and gradient estimates to be biased. The proposed algorithm is simple to describe, easy to implement, and uses these oracles in a similar way as the standard deterministic line search uses exact function and gradient values. Under fairly general conditions on the oracles, we derive a high probability tail bound on the iteration complexity of the algorithm when applied to non-convex smooth functions. These results are stronger than those for other existing stochastic line search methods and apply in more general settings. 
    more » « less
  5. null (Ed.)
    Gradient descent-based optimization methods underpin the parameter training of neural networks, and hence comprise a significant component in the impressive test results found in a number of applications. Introducing stochasticity is key to their success in practical problems, and there is some understanding of the role of stochastic gradient descent in this context. Momentum modifications of gradient descent such as Polyak’s Heavy Ball method (HB) and Nesterov’s method of accelerated gradients (NAG), are also widely adopted. In this work our focus is on understanding the role of momentum in the training of neural networks, concentrating on the common situation in which the momentum contribution is fixed at each step of the algorithm. To expose the ideas simply we work in the deterministic setting. Our approach is to derive continuous time approximations of the discrete algorithms; these continuous time approximations provide insights into the mechanisms at play within the discrete algorithms. We prove three such approximations. Firstly we show that standard implementations of fixed momentum methods approximate a time-rescaled gradient descent flow, asymptotically as the learning rate shrinks to zero; this result does not distinguish momentum methods from pure gradient descent, in the limit of vanishing learning rate. We then proceed to prove two results aimed at understanding the observed practical advantages of fixed momentum methods over gradient descent, when implemented in the non-asymptotic regime with fixed small, but non-zero, learning rate. We achieve this by proving approximations to continuous time limits in which the small but fixed learning rate appears as a parameter; this is known as the method of modified equations in the numerical analysis literature, recently rediscovered as the high resolution ODE approximation in the machine learning context. In our second result we show that the momentum method is approximated by a continuous time gradient flow, with an additional momentum-dependent second order time-derivative correction, proportional to the learning rate; this may be used to explain the stabilizing effect of momentum algorithms in their transient phase. Furthermore in a third result we show that the momentum methods admit an exponentially attractive invariant manifold on which the dynamics reduces, approximately, to a gradient flow with respect to a modified loss function, equal to the original loss function plus a small perturbation proportional to the learning rate; this small correction provides convexification of the loss function and encodes additional robustness present in momentum methods, beyond the transient phase. 
    more » « less