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LU and Cholesky matrix factorization algorithms are core subroutines used to solve systems of linear equations (SLEs) encountered while solving an optimization problem. Standard factorization algorithms are highly efficient but remain susceptible to the accumulation of roundoff errors, which can lead solvers to return feasibility and optimality claims that are actually invalid. This paper introduces a novel approach for solving sequences of closely related SLEs encountered in nonlinear programming efficiently and without roundoff errors. Specifically, it introduces rank-one update algorithms for the roundoff-error-free (REF) factorization framework, a toolset built on integer-preserving arithmetic that has led to the development and implementation of fail-proof SLE solution subroutines for linear programming. The formal guarantees of the proposed algorithms are established through the derivation of theoretical insights. Their advantages are supported with computational experiments, which demonstrate upwards of 75x-improvements over exact factorization run-times on fully dense matrices with over one million entries. A significant advantage of the methodology is that the length of any coefficient calculated via the proposed algorithms is bounded polynomially in the size of the inputs without having to resort to greatest common divisor operations, which are required by and thereby hinder an efficient implementation of exact rational arithmetic approaches.

In this paper, we study a sequential decision making problem faced by e-commerce carriers related to when to send out a vehicle from the central depot to serve customer requests, and in which order to provide the service, under the assumption that the time at which parcels arrive at the depot is stochastic and dynamic. The objective is to maximize the number of parcels that can be delivered during the service hours. We propose two reinforcement learning approaches for solving this problem, one based on a policy function approximation (PFA) and the second on a value function approximation (VFA). Both methods are combined with a look-ahead strategy, in which future release dates are sampled in a Monte-Carlo fashion and a tailored batch approach is used to approximate the value of future states. Our PFA and VFA make a good use of branch-and-cut-based exact methods to improve the quality of decisions. We also establish sufficient conditions for partial characterization of optimal policy and integrate them into PFA/VFA. In an empirical study based on 720 benchmark instances, we conduct a competitive analysis using upper bounds with perfect information and we show that PFA and VFA greatly outperform two alternative myopic approaches. Overall, PFA provides best solutions, while VFA (which benefits from a two-stage stochastic optimization model) achieves a better tradeoff between solution quality and computing time.

We introduce a neural implicit framework that exploits the differentiable properties of neural networks and the discrete geometry of point-sampled surfaces to approximate them as the level sets of neural implicit functions. To train a neural implicit function, we propose a loss functional that approximates a signed distance function, and allows terms with high-order derivatives, such as the alignment between the principal directions of curvature, to learn more geometric details. During training, we consider a non-uniform sampling strategy based on the curvatures of the point-sampled surface to prioritize points with more geometric details. This sampling implies faster learning while preserving geometric accuracy when compared with previous approaches. We also present the analytical differential geometry formulas for neural surfaces, such as normal vectors and curvatures.

Stochastic rounding (SR) offers an alternative to the deterministic IEEE-754 floating-point rounding modes. In some applications such as PDEs, ODEs and neural networks, SR empirically improves the numerical behavior and convergence to accurate solutions while no sound theoretical background has been provided. Recent works by Ipsen, Zhou, Higham, and Mary have computed SR probabilistic error bounds for basic linear algebra kernels. For example, the inner product SR probabilistic bound of the forward error is proportional to $\sqrt$ nu instead of nu for the default rounding mode. To compute the bounds, these works show that the errors accumulated in computation form a martingale. This paper proposes an alternative framework to characterize SR errors based on the computation of the variance. We pinpoint common error patterns in numerical algorithms and propose a lemma that bounds their variance. For each probability and through Bienaym{\'e}-Chebyshev inequality, this bound leads to better probabilistic error bound in several situations. Our method has the advantage of providing a tight probabilistic bound for all algorithms fitting our model. We show how the method can be applied to give SR error bounds for the inner product and Horner polynomial evaluation.

It was observed in \citet{gupta2009differentially} that the Set Cover problem has strong impossibility results under differential privacy. In our work, we observe that these hardness results dissolve when we turn to the Partial Set Cover problem, where we only need to cover a $\rho$-fraction of the elements in the universe, for some $\rho\in(0,1)$. We show that this relaxation enables us to avoid the impossibility results: under loose conditions on the input set system, we give differentially private algorithms which output an explicit set cover with non-trivial approximation guarantees. In particular, this is the first differentially private algorithm which outputs an explicit set cover. Using our algorithm for Partial Set Cover as a subroutine, we give a differentially private (bicriteria) approximation algorithm for a facility location problem which generalizes $k$-center/$k$-supplier with outliers. Like with the Set Cover problem, no algorithm has been able to give non-trivial guarantees for $k$-center/$k$-supplier-type facility location problems due to the high sensitivity and impossibility results. Our algorithm shows that relaxing the covering requirement to serving only a $\rho$-fraction of the population, for $\rho\in(0,1)$, enables us to circumvent the inherent hardness. Overall, our work is an important step in tackling and understanding impossibility results in private combinatorial optimization.

Dedicated to Tony Hoare. In a paper published in 1972 Hoare articulated the fundamental notions of hiding invariants and simulations. Hiding: invariants on encapsulated data representations need not be mentioned in specifications that comprise the API of a module. Simulation: correctness of a new data representation and implementation can be established by proving simulation between the old and new implementations using a coupling relation defined on the encapsulated state. These results were formalized semantically and for a simple model of state, though the paper claimed this could be extended to encompass dynamically allocated objects. In recent years, progress has been made towards formalizing the claim, for simulation, though mainly in semantic developments. In this article, hiding and simulation are combined with the idea in Hoare's 1969 paper: a logic of programs. For an object-based language with dynamic allocation, we introduce a relational Hoare logic with stateful frame conditions that formalizes encapsulation, hiding of invariants, and couplings that relate two implementations. Relations and other assertions are expressed in first-order logic. Specifications can express a wide range of relational properties such as conditional equivalence and noninterference with declassification. The proof rules facilitate relational reasoning by means of convenient alignments and are shown sound with respect to a conventional operational semantics. A derived proof rule for equivalence of linked programs directly embodies representation independence. Applicability to representative examples is demonstrated using an SMT-based implementation.

The adaptive processing of structured data is a long-standing research topic in machine learning that investigates how to automatically learn a mapping from a structured input to outputs of various nature. Recently, there has been an increasing interest in the adaptive processing of graphs, which led to the development of different neural network-based methodologies. In this thesis, we take a different route and develop a Bayesian Deep Learning framework for graph learning. The dissertation begins with a review of the principles over which most of the methods in the field are built, followed by a study on graph classification reproducibility issues. We then proceed to bridge the basic ideas of deep learning for graphs with the Bayesian world, by building our deep architectures in an incremental fashion. This framework allows us to consider graphs with discrete and continuous edge features, producing unsupervised embeddings rich enough to reach the state of the art on several classification tasks. Our approach is also amenable to a Bayesian nonparametric extension that automatizes the choice of almost all model's hyper-parameters. Two real-world applications demonstrate the efficacy of deep learning for graphs. The first concerns the prediction of information-theoretic quantities for molecular simulations with supervised neural models. After that, we exploit our Bayesian models to solve a malware-classification task while being robust to intra-procedural code obfuscation techniques. We conclude the dissertation with an attempt to blend the best of the neural and Bayesian worlds together. The resulting hybrid model is able to predict multimodal distributions conditioned on input graphs, with the consequent ability to model stochasticity and uncertainty better than most works. Overall, we aim to provide a Bayesian perspective into the articulated research field of deep learning for graphs.

This book develops an effective theory approach to understanding deep neural networks of practical relevance. Beginning from a first-principles component-level picture of networks, we explain how to determine an accurate description of the output of trained networks by solving layer-to-layer iteration equations and nonlinear learning dynamics. A main result is that the predictions of networks are described by nearly-Gaussian distributions, with the depth-to-width aspect ratio of the network controlling the deviations from the infinite-width Gaussian description. We explain how these effectively-deep networks learn nontrivial representations from training and more broadly analyze the mechanism of representation learning for nonlinear models. From a nearly-kernel-methods perspective, we find that the dependence of such models' predictions on the underlying learning algorithm can be expressed in a simple and universal way. To obtain these results, we develop the notion of representation group flow (RG flow) to characterize the propagation of signals through the network. By tuning networks to criticality, we give a practical solution to the exploding and vanishing gradient problem. We further explain how RG flow leads to near-universal behavior and lets us categorize networks built from different activation functions into universality classes. Altogether, we show that the depth-to-width ratio governs the effective model complexity of the ensemble of trained networks. By using information-theoretic techniques, we estimate the optimal aspect ratio at which we expect the network to be practically most useful and show how residual connections can be used to push this scale to arbitrary depths. With these tools, we can learn in detail about the inductive bias of architectures, hyperparameters, and optimizers.

When and why can a neural network be successfully trained? This article provides an overview of optimization algorithms and theory for training neural networks. First, we discuss the issue of gradient explosion/vanishing and the more general issue of undesirable spectrum, and then discuss practical solutions including careful initialization and normalization methods. Second, we review generic optimization methods used in training neural networks, such as SGD, adaptive gradient methods and distributed methods, and theoretical results for these algorithms. Third, we review existing research on the global issues of neural network training, including results on bad local minima, mode connectivity, lottery ticket hypothesis and infinite-width analysis.

Substantial progress has been made recently on developing provably accurate and efficient algorithms for low-rank matrix factorization via nonconvex optimization. While conventional wisdom often takes a dim view of nonconvex optimization algorithms due to their susceptibility to spurious local minima, simple iterative methods such as gradient descent have been remarkably successful in practice. The theoretical footings, however, had been largely lacking until recently. In this tutorial-style overview, we highlight the important role of statistical models in enabling efficient nonconvex optimization with performance guarantees. We review two contrasting approaches: (1) two-stage algorithms, which consist of a tailored initialization step followed by successive refinement; and (2) global landscape analysis and initialization-free algorithms. Several canonical matrix factorization problems are discussed, including but not limited to matrix sensing, phase retrieval, matrix completion, blind deconvolution, robust principal component analysis, phase synchronization, and joint alignment. Special care is taken to illustrate the key technical insights underlying their analyses. This article serves as a testament that the integrated consideration of optimization and statistics leads to fruitful research findings.