Optimal Matrix Momentum Stochastic Approximation and Applications to Q-learning

Acceleration is an increasingly common theme in the stochastic optimization literature. The two most common examples are Nesterov's method, and Polyak's momentum technique. In this paper two new algorithms are introduced for root finding problems: 1) PolSA is a root finding algorithm with specially designed matrix momentum, and 2) NeSA can be regarded as a variant of Nesterov's algorithm, or a simplification of PolSA. The PolSA algorithm is new even in the context of optimization (when cast as a root finding problem). The research surveyed in this paper is motivated by applications to reinforcement learning. It is well known that most variants of TD- and Q-learning may be cast as SA (stochastic approximation) algorithms, and the tools from general SA theory can be used to investigate convergence and bounds on convergence rate. In particular, the asymptotic variance is a common metric of performance for SA algorithms, and is also one among many metrics used in assessing the performance of stochastic optimization algorithms. There are two well known SA techniques that are known to have optimal asymptotic variance: the Ruppert-Polyak averaging technique, and stochastic Newton-Raphson (SNR). The former algorithm can have extremely bad transient performance, and the latter can be computationally expensive. It is demonstrated here that parameter estimates from the new PolSA algorithm couple with those of the ideal (but more complex) SNR algorithm. The new algorithm is thus a third approach to obtain optimal asymptotic covariance. These strong results require assumptions on the model. A linearized model is considered, and the noise is assumed to be a martingale difference sequence. Numerical results are obtained in a non-linear setting that is the motivation for this work: In PolSA implementations of Q-learning it is observed that coupling occurs with SNR in this non-ideal setting

Stochastic Modified Equations and Dynamics of Stochastic Gradient Algorithms I: Mathematical Foundations

We develop the mathematical foundations of the stochastic modified equations (SME) framework for analyzing the dynamics of stochastic gradient algorithms, where the latter is approximated by a class of stochastic differential equations with small noise parameters. We prove that this approximation can be understood mathematically as an weak approximation, which leads to a number of precise and useful results on the approximations of stochastic gradient descent (SGD), momentum SGD and stochastic Nesterov's accelerated gradient method in the general setting of stochastic objectives. We also demonstrate through explicit calculations that this continuous-time approach can uncover important analytical insights into the stochastic gradient algorithms under consideration that may not be easy to obtain in a purely discrete-time setting

Fluctuation-dissipation relations for stochastic gradient descent

The notion of the stationary equilibrium ensemble has played a central role in statistical mechanics. In machine learning as well, training serves as generalized equilibration that drives the probability distribution of model parameters toward stationarity. Here, we derive stationary fluctuation-dissipation relations that link measurable quantities and hyperparameters in the stochastic gradient descent algorithm. These relations hold exactly for any stationary state and can in particular be used to adaptively set training schedule. We can further use the relations to efficiently extract information pertaining to a loss-function landscape such as the magnitudes of its Hessian and anharmonicity. Our claims are empirically verified.Comment: 15 pages, 6 figures; v2: final version accepted at ICLR 2019, with derivations/assumptions clarified and Adam/AMSGrad experiments adde

A Kronecker-factored approximate Fisher matrix for convolution layers

Second-order optimization methods such as natural gradient descent have the potential to speed up training of neural networks by correcting for the curvature of the loss function. Unfortunately, the exact natural gradient is impractical to compute for large models, and most approximations either require an expensive iterative procedure or make crude approximations to the curvature. We present Kronecker Factors for Convolution (KFC), a tractable approximation to the Fisher matrix for convolutional networks based on a structured probabilistic model for the distribution over backpropagated derivatives. Similarly to the recently proposed Kronecker-Factored Approximate Curvature (K-FAC), each block of the approximate Fisher matrix decomposes as the Kronecker product of small matrices, allowing for efficient inversion. KFC captures important curvature information while still yielding comparably efficient updates to stochastic gradient descent (SGD). We show that the updates are invariant to commonly used reparameterizations, such as centering of the activations. In our experiments, approximate natural gradient descent with KFC was able to train convolutional networks several times faster than carefully tuned SGD. Furthermore, it was able to train the networks in 10-20 times fewer iterations than SGD, suggesting its potential applicability in a distributed setting

Weight Normalization: A Simple Reparameterization to Accelerate Training of Deep Neural Networks

We present weight normalization: a reparameterization of the weight vectors in a neural network that decouples the length of those weight vectors from their direction. By reparameterizing the weights in this way we improve the conditioning of the optimization problem and we speed up convergence of stochastic gradient descent. Our reparameterization is inspired by batch normalization but does not introduce any dependencies between the examples in a minibatch. This means that our method can also be applied successfully to recurrent models such as LSTMs and to noise-sensitive applications such as deep reinforcement learning or generative models, for which batch normalization is less well suited. Although our method is much simpler, it still provides much of the speed-up of full batch normalization. In addition, the computational overhead of our method is lower, permitting more optimization steps to be taken in the same amount of time. We demonstrate the usefulness of our method on applications in supervised image recognition, generative modelling, and deep reinforcement learning

On the Acceleration of L-BFGS with Second-Order Information and Stochastic Batches

This paper proposes a framework of L-BFGS based on the (approximate) second-order information with stochastic batches, as a novel approach to the finite-sum minimization problems. Different from the classical L-BFGS where stochastic batches lead to instability, we use a smooth estimate for the evaluations of the gradient differences while achieving acceleration by well-scaling the initial Hessians. We provide theoretical analyses for both convex and nonconvex cases. In addition, we demonstrate that within the popular applications of least-square and cross-entropy losses, the algorithm admits a simple implementation in the distributed environment. Numerical experiments support the efficiency of our algorithms

Stochastic Gradient Descent as Approximate Bayesian Inference

Stochastic Gradient Descent with a constant learning rate (constant SGD) simulates a Markov chain with a stationary distribution. With this perspective, we derive several new results. (1) We show that constant SGD can be used as an approximate Bayesian posterior inference algorithm. Specifically, we show how to adjust the tuning parameters of constant SGD to best match the stationary distribution to a posterior, minimizing the Kullback-Leibler divergence between these two distributions. (2) We demonstrate that constant SGD gives rise to a new variational EM algorithm that optimizes hyperparameters in complex probabilistic models. (3) We also propose SGD with momentum for sampling and show how to adjust the damping coefficient accordingly. (4) We analyze MCMC algorithms. For Langevin Dynamics and Stochastic Gradient Fisher Scoring, we quantify the approximation errors due to finite learning rates. Finally (5), we use the stochastic process perspective to give a short proof of why Polyak averaging is optimal. Based on this idea, we propose a scalable approximate MCMC algorithm, the Averaged Stochastic Gradient Sampler.Comment: 35 pages, published version (JMLR 2017

Kalman Gradient Descent: Adaptive Variance Reduction in Stochastic Optimization

We introduce Kalman Gradient Descent, a stochastic optimization algorithm that uses Kalman filtering to adaptively reduce gradient variance in stochastic gradient descent by filtering the gradient estimates. We present both a theoretical analysis of convergence in a non-convex setting and experimental results which demonstrate improved performance on a variety of machine learning areas including neural networks and black box variational inference. We also present a distributed version of our algorithm that enables large-dimensional optimization, and we extend our algorithm to SGD with momentum and RMSProp.Comment: 25 pages, 5 figure

A Simple Baseline for Bayesian Uncertainty in Deep Learning

We propose SWA-Gaussian (SWAG), a simple, scalable, and general purpose approach for uncertainty representation and calibration in deep learning. Stochastic Weight Averaging (SWA), which computes the first moment of stochastic gradient descent (SGD) iterates with a modified learning rate schedule, has recently been shown to improve generalization in deep learning. With SWAG, we fit a Gaussian using the SWA solution as the first moment and a low rank plus diagonal covariance also derived from the SGD iterates, forming an approximate posterior distribution over neural network weights; we then sample from this Gaussian distribution to perform Bayesian model averaging. We empirically find that SWAG approximates the shape of the true posterior, in accordance with results describing the stationary distribution of SGD iterates. Moreover, we demonstrate that SWAG performs well on a wide variety of tasks, including out of sample detection, calibration, and transfer learning, in comparison to many popular alternatives including MC dropout, KFAC Laplace, SGLD, and temperature scaling.Comment: Published at NeurIPS 201

Accelerated Gossip via Stochastic Heavy Ball Method

In this paper we show how the stochastic heavy ball method (SHB) -- a popular method for solving stochastic convex and non-convex optimization problems --operates as a randomized gossip algorithm. In particular, we focus on two special cases of SHB: the Randomized Kaczmarz method with momentum and its block variant. Building upon a recent framework for the design and analysis of randomized gossip algorithms, [Loizou Richtarik, 2016] we interpret the distributed nature of the proposed methods. We present novel protocols for solving the average consensus problem where in each step all nodes of the network update their values but only a subset of them exchange their private values. Numerical experiments on popular wireless sensor networks showing the benefits of our protocols are also presented.Comment: 8 pages, 5 Figures, 56th Annual Allerton Conference on Communication, Control, and Computing, 201