In this paper, we characterize the noise of stochastic gradients and analyze the noise-induced dynamics during training deep neural networks by gradient-based optimizers. Specifically, we firstly show that the stochastic gradient noise possesses finite variance, and therefore the classical Central Limit Theorem (CLT) applies; this indicates that the gradient noise is asymptotically Gaussian. Such an asymptotic result validates the wide-accepted assumption of Gaussian noise. We clarify that the recently observed phenomenon of heavy tails within gradient noise may not be intrinsic properties, but the consequence of insufficient mini-batch size; the gradient noise, which is a sum of limited i.i.d. random variables, has not reached the asymptotic regime of CLT, thus deviates from Gaussian. We quantitatively measure the goodness of Gaussian approximation of the noise, which supports our conclusion. Secondly, we analyze the noise-induced dynamics of stochastic gradient descent using the Langevin equation, granting for momentum hyperparameter in the optimizer with a physical interpretation. We then proceed to demonstrate the existence of the steady-state distribution of stochastic gradient descent and approximate the distribution at a small learning rate.
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We consider sensitivity of a generic stochastic optimization problem to model uncertainty. We take a non-parametric approach and capture model uncertainty using Wasserstein balls around the postulated model. We provide explicit formulae for the first order correction to both the value function and the optimizer and further extend our results to optimization under linear constraints. We present applications to statistics, machine learning, mathematical finance and uncertainty quantification. In particular, we provide explicit first-order approximation for square-root LASSO regression coefficients and deduce coefficient shrinkage compared to the ordinary least squares regression. We consider robustness of call option pricing and deduce a new Black-Scholes sensitivity, a non-parametric version of the so-called Vega. We also compute sensitivities of optimized certainty equivalents in finance and propose measures to quantify robustness of neural networks to adversarial examples.
We introduce a universal framework for characterizing the statistical efficiency of a statistical estimation problem with differential privacy guarantees. Our framework, which we call High-dimensional Propose-Test-Release (HPTR), builds upon three crucial components: the exponential mechanism, robust statistics, and the Propose-Test-Release mechanism. Gluing all these together is the concept of resilience, which is central to robust statistical estimation. Resilience guides the design of the algorithm, the sensitivity analysis, and the success probability analysis of the test step in Propose-Test-Release. The key insight is that if we design an exponential mechanism that accesses the data only via one-dimensional robust statistics, then the resulting local sensitivity can be dramatically reduced. Using resilience, we can provide tight local sensitivity bounds. These tight bounds readily translate into near-optimal utility guarantees in several cases. We give a general recipe for applying HPTR to a given instance of a statistical estimation problem and demonstrate it on canonical problems of mean estimation, linear regression, covariance estimation, and principal component analysis. We introduce a general utility analysis technique that proves that HPTR nearly achieves the optimal sample complexity under several scenarios studied in the literature.
This paper investigates the problem of online statistical inference of model parameters in stochastic optimization problems via the Kiefer-Wolfowitz algorithm with random search directions. We first present the asymptotic distribution for the Polyak-Ruppert-averaging type Kiefer-Wolfowitz (AKW) estimators, whose asymptotic covariance matrices depend on the function-value query complexity and the distribution of search directions. The distributional result reflects the trade-off between statistical efficiency and function query complexity. We further analyze the choices of random search directions to minimize the asymptotic covariance matrix, and conclude that the optimal search direction depends on the optimality criteria with respect to different summary statistics of the Fisher information matrix. Based on the asymptotic distribution result, we conduct online statistical inference by providing two construction procedures of valid confidence intervals. We provide numerical experiments verifying our theoretical results with the practical effectiveness of the procedures.
Trajectory optimization and model predictive control are essential techniques underpinning advanced robotic applications, ranging from autonomous driving to full-body humanoid control. State-of-the-art algorithms have focused on data-driven approaches that infer the system dynamics online and incorporate posterior uncertainty during planning and control. Despite their success, such approaches are still susceptible to catastrophic errors that may arise due to statistical learning biases, unmodeled disturbances, or even directed adversarial attacks. In this paper, we tackle the problem of dynamics mismatch and propose a distributionally robust optimal control formulation that alternates between two relative entropy trust-region optimization problems. Our method finds the worst-case maximum entropy Gaussian posterior over the dynamics parameters and the corresponding robust policy. Furthermore, we show that our approach admits a closed-form backward-pass for a certain class of systems. Finally, we demonstrate the resulting robustness on linear and nonlinear numerical examples.
Recent work in scientific machine learning has developed so-called physics-informed neural network (PINN) models. The typical approach is to incorporate physical domain knowledge as soft constraints on an empirical loss function and use existing machine learning methodologies to train the model. We demonstrate that, while existing PINN methodologies can learn good models for relatively trivial problems, they can easily fail to learn relevant physical phenomena for even slightly more complex problems. In particular, we analyze several distinct situations of widespread physical interest, including learning differential equations with convection, reaction, and diffusion operators. We provide evidence that the soft regularization in PINNs, which involves PDE-based differential operators, can introduce a number of subtle problems, including making the problem more ill-conditioned. Importantly, we show that these possible failure modes are not due to the lack of expressivity in the NN architecture, but that the PINN's setup makes the loss landscape very hard to optimize. We then describe two promising solutions to address these failure modes. The first approach is to use curriculum regularization, where the PINN's loss term starts from a simple PDE regularization, and becomes progressively more complex as the NN gets trained. The second approach is to pose the problem as a sequence-to-sequence learning task, rather than learning to predict the entire space-time at once. Extensive testing shows that we can achieve up to 1-2 orders of magnitude lower error with these methods as compared to regular PINN training.
Stochastic approximation (SA) and stochastic gradient descent (SGD) algorithms are work-horses for modern machine learning algorithms. Their constant stepsize variants are preferred in practice due to fast convergence behavior. However, constant step stochastic iterative algorithms do not converge asymptotically to the optimal solution, but instead have a stationary distribution, which in general cannot be analytically characterized. In this work, we study the asymptotic behavior of the appropriately scaled stationary distribution, in the limit when the constant stepsize goes to zero. Specifically, we consider the following three settings: (1) SGD algorithms with smooth and strongly convex objective, (2) linear SA algorithms involving a Hurwitz matrix, and (3) nonlinear SA algorithms involving a contractive operator. When the iterate is scaled by $1/\sqrt{\alpha}$, where $\alpha$ is the constant stepsize, we show that the limiting scaled stationary distribution is a solution of an integral equation. Under a uniqueness assumption (which can be removed in certain settings) on this equation, we further characterize the limiting distribution as a Gaussian distribution whose covariance matrix is the unique solution of a suitable Lyapunov equation. For SA algorithms beyond these cases, our numerical experiments suggest that unlike central limit theorem type results: (1) the scaling factor need not be $1/\sqrt{\alpha}$, and (2) the limiting distribution need not be Gaussian. Based on the numerical study, we come up with a formula to determine the right scaling factor, and make insightful connection to the Euler-Maruyama discretization scheme for approximating stochastic differential equations.
Optimal control of general nonlinear systems is a central challenge in automation. Data-driven approaches to control, enabled by powerful function approximators, have recently had great success in tackling challenging robotic applications. However, such methods often obscure the structure of dynamics and control behind black-box over-parameterized representations, thus limiting our ability to understand the closed-loop behavior. This paper adopts a hybrid-system view of nonlinear modeling and control that lends an explicit hierarchical structure to the problem and breaks down complex dynamics into simpler localized units. Therefore, we consider a sequence modeling paradigm that captures the temporal structure of the data and derive an expecation-maximization (EM) algorithm that automatically decomposes nonlinear dynamics into stochastic piecewise affine dynamical systems with nonlinear boundaries. Furthermore, we show that these time-series models naturally admit a closed-loop extension that we use to extract locally linear or polynomial feedback controllers from nonlinear experts via imitation learning. Finally, we introduce a novel hybrid realtive entropy policy search (Hb-REPS) technique that incorporates the hierarchical nature of hybrid systems and optimizes a set of time-invariant local feedback controllers derived from a locally polynomial approximation of a global value function.
While researches on model-based blind single image super-resolution (SISR) have achieved tremendous successes recently, most of them do not consider the image degradation sufficiently. Firstly, they always assume image noise obeys an independent and identically distributed (i.i.d.) Gaussian or Laplacian distribution, which largely underestimates the complexity of real noise. Secondly, previous commonly-used kernel priors (e.g., normalization, sparsity) are not effective enough to guarantee a rational kernel solution, and thus degenerates the performance of subsequent SISR task. To address the above issues, this paper proposes a model-based blind SISR method under the probabilistic framework, which elaborately models image degradation from the perspectives of noise and blur kernel. Specifically, instead of the traditional i.i.d. noise assumption, a patch-based non-i.i.d. noise model is proposed to tackle the complicated real noise, expecting to increase the degrees of freedom of the model for noise representation. As for the blur kernel, we novelly construct a concise yet effective kernel generator, and plug it into the proposed blind SISR method as an explicit kernel prior (EKP). To solve the proposed model, a theoretically grounded Monte Carlo EM algorithm is specifically designed. Comprehensive experiments demonstrate the superiority of our method over current state-of-the-arts on synthetic and real datasets.
We study the problem of training deep neural networks with Rectified Linear Unit (ReLU) activiation function using gradient descent and stochastic gradient descent. In particular, we study the binary classification problem and show that for a broad family of loss functions, with proper random weight initialization, both gradient descent and stochastic gradient descent can find the global minima of the training loss for an over-parameterized deep ReLU network, under mild assumption on the training data. The key idea of our proof is that Gaussian random initialization followed by (stochastic) gradient descent produces a sequence of iterates that stay inside a small perturbation region centering around the initial weights, in which the empirical loss function of deep ReLU networks enjoys nice local curvature properties that ensure the global convergence of (stochastic) gradient descent. Our theoretical results shed light on understanding the optimization of deep learning, and pave the way to study the optimization dynamics of training modern deep neural networks.
Machine learning methods are powerful in distinguishing different phases of matter in an automated way and provide a new perspective on the study of physical phenomena. We train a Restricted Boltzmann Machine (RBM) on data constructed with spin configurations sampled from the Ising Hamiltonian at different values of temperature and external magnetic field using Monte Carlo methods. From the trained machine we obtain the flow of iterative reconstruction of spin state configurations to faithfully reproduce the observables of the physical system. We find that the flow of the trained RBM approaches the spin configurations of the maximal possible specific heat which resemble the near criticality region of the Ising model. In the special case of the vanishing magnetic field the trained RBM converges to the critical point of the Renormalization Group (RG) flow of the lattice model. Our results suggest an alternative explanation of how the machine identifies the physical phase transitions, by recognizing certain properties of the configuration like the maximization of the specific heat, instead of associating directly the recognition procedure with the RG flow and its fixed points. Then from the reconstructed data we deduce the critical exponent associated to the magnetization to find satisfactory agreement with the actual physical value. We assume no prior knowledge about the criticality of the system and its Hamiltonian.
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