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Machine learning pipelines that include a combinatorial optimization layer can give surprisingly efficient heuristics for difficult combinatorial optimization problems. Three questions remain open: which architecture should be used, how should the parameters of the machine learning model be learned, and what performance guarantees can we expect from the resulting algorithms? Following the intuitions of geometric deep learning, we explain why equivariant layers should be used when designing such pipelines, and illustrate how to build such layers on routing, scheduling, and network design applications. We introduce a learning approach that enables to learn such pipelines when the training set contains only instances of the difficult optimization problem and not their optimal solutions, and show its numerical performance on our three applications. Finally, using tools from statistical learning theory, we prove a theorem showing the convergence speed of the estimator. As a corollary, we obtain that, if an approximation algorithm can be encoded by the pipeline for some parametrization, then the learned pipeline will retain the approximation ratio guarantee. On our network design problem, our machine learning pipeline has the approximation ratio guarantee of the best approximation algorithm known and the numerical efficiency of the best heuristic.

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This paper studies an infinite horizon optimal control problem for discrete-time linear system and quadratic criteria, both with random parameters which are independent and identically distributed with respect to time. In this general setting, we apply the policy gradient method, a reinforcement learning technique, to search for the optimal control without requiring knowledge of statistical information of the parameters. We investigate the sub-Gaussianity of the state process and establish global linear convergence guarantee for this approach based on assumptions that are weaker and easier to verify compared to existing results. Numerical experiments are presented to illustrate our result.

Intelligent manufacturing is becoming increasingly important due to the growing demand for maximizing productivity and flexibility while minimizing waste and lead times. This work investigates automated secondary robotic food packaging solutions that transfer food products from the conveyor belt into containers. A major problem in these solutions is varying product supply which can cause drastic productivity drops. Conventional rule-based approaches, used to address this issue, are often inadequate, leading to violation of the industry's requirements. Reinforcement learning, on the other hand, has the potential of solving this problem by learning responsive and predictive policy, based on experience. However, it is challenging to utilize it in highly complex control schemes. In this paper, we propose a reinforcement learning framework, designed to optimize the conveyor belt speed while minimizing interference with the rest of the control system. When tested on real-world data, the framework exceeds the performance requirements (99.8% packed products) and maintains quality (100% filled boxes). Compared to the existing solution, our proposed framework improves productivity, has smoother control, and reduces computation time.

A recent line of works, initiated by Russo and Xu, has shown that the generalization error of a learning algorithm can be upper bounded by information measures. In most of the relevant works, the convergence rate of the expected generalization error is in the form of $O(\sqrt{\lambda/n})$ where $\lambda$ is some information-theoretic quantities such as the mutual information or conditional mutual information between the data and the learned hypothesis. However, such a learning rate is typically considered to be ``slow", compared to a ``fast rate" of $O(\lambda/n)$ in many learning scenarios. In this work, we first show that the square root does not necessarily imply a slow rate, and a fast rate result can still be obtained using this bound under appropriate assumptions. Furthermore, we identify the critical conditions needed for the fast rate generalization error, which we call the $(\eta,c)$-central condition. Under this condition, we give information-theoretic bounds on the generalization error and excess risk, with a fast convergence rate for specific learning algorithms such as empirical risk minimization and its regularized version. Finally, several analytical examples are given to show the effectiveness of the bounds.

Recently, neural networks have been widely applied for solving partial differential equations (PDEs). Although such methods have been proven remarkably successful on practical engineering problems, they have not been shown, theoretically or empirically, to converge to the underlying PDE solution with arbitrarily high accuracy. The primary difficulty lies in solving the highly non-convex optimization problems resulting from the neural network discretization, which are difficult to treat both theoretically and practically. It is our goal in this work to take a step toward remedying this. For this purpose, we develop a novel greedy training algorithm for shallow neural networks. Our method is applicable to both the variational formulation of the PDE and also to the residual minimization formulation pioneered by physics informed neural networks (PINNs). We analyze the method and obtain a priori error bounds when solving PDEs from the function class defined by shallow networks, which rigorously establishes the convergence of the method as the network size increases. Finally, we test the algorithm on several benchmark examples, including high dimensional PDEs, to confirm the theoretical convergence rate. Although the method is expensive relative to traditional approaches such as finite element methods, we view this work as a proof of concept for neural network-based methods, which shows that numerical methods based upon neural networks can be shown to rigorously converge.

The past few years have seen rapid progress in combining reinforcement learning (RL) with deep learning. Various breakthroughs ranging from games to robotics have spurred the interest in designing sophisticated RL algorithms and systems. However, the prevailing workflow in RL is to learn tabula rasa, which may incur computational inefficiency. This precludes continuous deployment of RL algorithms and potentially excludes researchers without large-scale computing resources. In many other areas of machine learning, the pretraining paradigm has shown to be effective in acquiring transferable knowledge, which can be utilized for a variety of downstream tasks. Recently, we saw a surge of interest in Pretraining for Deep RL with promising results. However, much of the research has been based on different experimental settings. Due to the nature of RL, pretraining in this field is faced with unique challenges and hence requires new design principles. In this survey, we seek to systematically review existing works in pretraining for deep reinforcement learning, provide a taxonomy of these methods, discuss each sub-field, and bring attention to open problems and future directions.

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.

Learning on big data brings success for artificial intelligence (AI), but the annotation and training costs are expensive. In future, learning on small data is one of the ultimate purposes of AI, which requires machines to recognize objectives and scenarios relying on small data as humans. A series of machine learning models is going on this way such as active learning, few-shot learning, deep clustering. However, there are few theoretical guarantees for their generalization performance. Moreover, most of their settings are passive, that is, the label distribution is explicitly controlled by one specified sampling scenario. This survey follows the agnostic active sampling under a PAC (Probably Approximately Correct) framework to analyze the generalization error and label complexity of learning on small data using a supervised and unsupervised fashion. With these theoretical analyses, we categorize the small data learning models from two geometric perspectives: the Euclidean and non-Euclidean (hyperbolic) mean representation, where their optimization solutions are also presented and discussed. Later, some potential learning scenarios that may benefit from small data learning are then summarized, and their potential learning scenarios are also analyzed. Finally, some challenging applications such as computer vision, natural language processing that may benefit from learning on small data are also surveyed.

Graph neural networks (GNNs) are a popular class of machine learning models whose major advantage is their ability to incorporate a sparse and discrete dependency structure between data points. Unfortunately, GNNs can only be used when such a graph-structure is available. In practice, however, real-world graphs are often noisy and incomplete or might not be available at all. With this work, we propose to jointly learn the graph structure and the parameters of graph convolutional networks (GCNs) by approximately solving a bilevel program that learns a discrete probability distribution on the edges of the graph. This allows one to apply GCNs not only in scenarios where the given graph is incomplete or corrupted but also in those where a graph is not available. We conduct a series of experiments that analyze the behavior of the proposed method and demonstrate that it outperforms related methods by a significant margin.

This paper surveys the machine learning literature and presents machine learning as optimization models. Such models can benefit from the advancement of numerical optimization techniques which have already played a distinctive role in several machine learning settings. Particularly, mathematical optimization models are presented for commonly used machine learning approaches for regression, classification, clustering, and deep neural networks as well new emerging applications in machine teaching and empirical model learning. The strengths and the shortcomings of these models are discussed and potential research directions are highlighted.

Dynamic programming (DP) solves a variety of structured combinatorial problems by iteratively breaking them down into smaller subproblems. In spite of their versatility, DP algorithms are usually non-differentiable, which hampers their use as a layer in neural networks trained by backpropagation. To address this issue, we propose to smooth the max operator in the dynamic programming recursion, using a strongly convex regularizer. This allows to relax both the optimal value and solution of the original combinatorial problem, and turns a broad class of DP algorithms into differentiable operators. Theoretically, we provide a new probabilistic perspective on backpropagating through these DP operators, and relate them to inference in graphical models. We derive two particular instantiations of our framework, a smoothed Viterbi algorithm for sequence prediction and a smoothed DTW algorithm for time-series alignment. We showcase these instantiations on two structured prediction tasks and on structured and sparse attention for neural machine translation.

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