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We consider minimizing functions for which it is expensive to compute the (possibly stochastic) gradient. Such functions are prevalent in reinforcement learning, imitation learning and adversarial training. Our target optimization framework uses the (expensive) gradient computation to construct surrogate functions in a \emph{target space} (e.g. the logits output by a linear model for classification) that can be minimized efficiently. This allows for multiple parameter updates to the model, amortizing the cost of gradient computation. In the full-batch setting, we prove that our surrogate is a global upper-bound on the loss, and can be (locally) minimized using a black-box optimization algorithm. We prove that the resulting majorization-minimization algorithm ensures convergence to a stationary point of the loss. Next, we instantiate our framework in the stochastic setting and propose the $SSO$ algorithm, which can be viewed as projected stochastic gradient descent in the target space. This connection enables us to prove theoretical guarantees for $SSO$ when minimizing convex functions. Our framework allows the use of standard stochastic optimization algorithms to construct surrogates which can be minimized by any deterministic optimization method. To evaluate our framework, we consider a suite of supervised learning and imitation learning problems. Our experiments indicate the benefits of target optimization and the effectiveness of $SSO$.

We propose a new, computationally efficient, sparsity adaptive changepoint estimator for detecting changes in unknown subsets of a high-dimensional data sequence. Assuming the data sequence is Gaussian, we prove that the new method successfully estimates the number and locations of changepoints with a given error rate and under minimal conditions, for all sparsities of the changing subset. Moreover, our method has computational complexity linear up to logarithmic factors in both the length and number of time series, making it applicable to large data sets. Through extensive numerical studies we show that the new methodology is highly competitive in terms of both estimation accuracy and computational cost. The practical usefulness of the method is illustrated by analysing sensor data from a hydro power plant. An efficient R implementation is available.

Control variates can be a powerful tool to reduce the variance of Monte Carlo estimators, but constructing effective control variates can be challenging when the number of samples is small. In this paper, we show that when a large number of related integrals need to be computed, it is possible to leverage the similarity between these integration tasks to improve performance even when the number of samples per task is very small. Our approach, called meta learning CVs (Meta-CVs), can be used for up to hundreds or thousands of tasks. Our empirical assessment indicates that Meta-CVs can lead to significant variance reduction in such settings, and our theoretical analysis establishes general conditions under which Meta-CVs can be successfully trained.

We develop a principled approach to end-to-end learning in stochastic optimization. First, we show that the standard end-to-end learning algorithm admits a Bayesian interpretation and trains a posterior Bayes action map. Building on the insights of this analysis, we then propose new end-to-end learning algorithms for training decision maps that output solutions of empirical risk minimization and distributionally robust optimization problems, two dominant modeling paradigms in optimization under uncertainty. Numerical results for a synthetic newsvendor problem illustrate the key differences between alternative training schemes. We also investigate an economic dispatch problem based on real data to showcase the impact of the neural network architecture of the decision maps on their test performance.

Large-scale networks are commonly encountered in practice (e.g., Facebook and Twitter) by researchers. In order to study the network interaction between different nodes of large-scale networks, the spatial autoregressive (SAR) model has been popularly employed. Despite its popularity, the estimation of a SAR model on large-scale networks remains very challenging. On the one hand, due to policy limitations or high collection costs, it is often impossible for independent researchers to observe or collect all network information. On the other hand, even if the entire network is accessible, estimating the SAR model using the quasi-maximum likelihood estimator (QMLE) could be computationally infeasible due to its high computational cost. To address these challenges, we propose here a subnetwork estimation method based on QMLE for the SAR model. By using appropriate sampling methods, a subnetwork, consisting of a much-reduced number of nodes, can be constructed. Subsequently, the standard QMLE can be computed by treating the sampled subnetwork as if it were the entire network. This leads to a significant reduction in information collection and model computation costs, which increases the practical feasibility of the effort. Theoretically, we show that the subnetwork-based QMLE is consistent and asymptotically normal under appropriate regularity conditions. Extensive simulation studies, based on both simulated and real network structures, are presented.

In this paper, we study a large-scale multi-agent minimax optimization problem, which models many interesting applications in statistical learning and game theory, including Generative Adversarial Networks (GANs). The overall objective is a sum of agents' private local objective functions. We first analyze an important special case, empirical minimax problem, where the overall objective approximates a true population minimax risk by statistical samples. We provide generalization bounds for learning with this objective through Rademacher complexity analysis. Then, we focus on the federated setting, where agents can perform local computation and communicate with a central server. Most existing federated minimax algorithms either require communication per iteration or lack performance guarantees with the exception of Local Stochastic Gradient Descent Ascent (SGDA), a multiple-local-update descent ascent algorithm which guarantees convergence under a diminishing stepsize. By analyzing Local SGDA under the ideal condition of no gradient noise, we show that generally it cannot guarantee exact convergence with constant stepsizes and thus suffers from slow rates of convergence. To tackle this issue, we propose FedGDA-GT, an improved Federated (Fed) Gradient Descent Ascent (GDA) method based on Gradient Tracking (GT). When local objectives are Lipschitz smooth and strongly-convex-strongly-concave, we prove that FedGDA-GT converges linearly with a constant stepsize to global $\epsilon$-approximation solution with $\mathcal{O}(\log (1/\epsilon))$ rounds of communication, which matches the time complexity of centralized GDA method. Finally, we numerically show that FedGDA-GT outperforms Local SGDA.

We propose a Randomized Progressive Training algorithm (RPT) -- a stochastic proxy for the well-known Progressive Training method (PT) (Karras et al., 2017). Originally designed to train GANs (Goodfellow et al., 2014), PT was proposed as a heuristic, with no convergence analysis even for the simplest objective functions. On the contrary, to the best of our knowledge, RPT is the first PT-type algorithm with rigorous and sound theoretical guarantees for general smooth objective functions. We cast our method into the established framework of Randomized Coordinate Descent (RCD) (Nesterov, 2012; Richt\'arik & Tak\'a\v{c}, 2014), for which (as a by-product of our investigations) we also propose a novel, simple and general convergence analysis encapsulating strongly-convex, convex and nonconvex objectives. We then use this framework to establish a convergence theory for RPT. Finally, we validate the effectiveness of our method through extensive computational experiments.

The numerical evaluation of statistics plays a crucial role in statistical physics and its applied fields. It is possible to evaluate the statistics for a stochastic differential equation with Gaussian white noise via the corresponding backward Kolmogorov equation. The important notice is that there is no need to obtain the solution of the backward Kolmogorov equation on the whole domain; it is enough to evaluate a value of the solution at a certain point that corresponds to the initial coordinate for the stochastic differential equation. For this aim, an algorithm based on combinatorics has recently been developed. In this paper, we discuss a higher-order approximation of resolvent, and an algorithm based on a second-order approximation is proposed. The proposed algorithm shows a second-order convergence. Furthermore, the convergence property of the naive algorithms naturally leads to extrapolation methods; they work well to calculate a more accurate value with fewer computational costs. The proposed method is demonstrated with the Ornstein-Uhlenbeck process and the noisy van der Pol system.

Classic algorithms and machine learning systems like neural networks are both abundant in everyday life. While classic computer science algorithms are suitable for precise execution of exactly defined tasks such as finding the shortest path in a large graph, neural networks allow learning from data to predict the most likely answer in more complex tasks such as image classification, which cannot be reduced to an exact algorithm. To get the best of both worlds, this thesis explores combining both concepts leading to more robust, better performing, more interpretable, more computationally efficient, and more data efficient architectures. The thesis formalizes the idea of algorithmic supervision, which allows a neural network to learn from or in conjunction with an algorithm. When integrating an algorithm into a neural architecture, it is important that the algorithm is differentiable such that the architecture can be trained end-to-end and gradients can be propagated back through the algorithm in a meaningful way. To make algorithms differentiable, this thesis proposes a general method for continuously relaxing algorithms by perturbing variables and approximating the expectation value in closed form, i.e., without sampling. In addition, this thesis proposes differentiable algorithms, such as differentiable sorting networks, differentiable renderers, and differentiable logic gate networks. Finally, this thesis presents alternative training strategies for learning with algorithms.

Sampling methods (e.g., node-wise, layer-wise, or subgraph) has become an indispensable strategy to speed up training large-scale Graph Neural Networks (GNNs). However, existing sampling methods are mostly based on the graph structural information and ignore the dynamicity of optimization, which leads to high variance in estimating the stochastic gradients. The high variance issue can be very pronounced in extremely large graphs, where it results in slow convergence and poor generalization. In this paper, we theoretically analyze the variance of sampling methods and show that, due to the composite structure of empirical risk, the variance of any sampling method can be decomposed into \textit{embedding approximation variance} in the forward stage and \textit{stochastic gradient variance} in the backward stage that necessities mitigating both types of variance to obtain faster convergence rate. We propose a decoupled variance reduction strategy that employs (approximate) gradient information to adaptively sample nodes with minimal variance, and explicitly reduces the variance introduced by embedding approximation. We show theoretically and empirically that the proposed method, even with smaller mini-batch sizes, enjoys a faster convergence rate and entails a better generalization compared to the existing methods.