We study a generalization of the classic isotonic regression problem where we allow separable nonconvex objective functions, focusing on the case of estimators used in robust regression. A simple dynamic programming approach allows us to solve this problem to within ε-accuracy (of the global minimum) in time linear in 1/ε and the dimension. We can combine techniques from the convex case with branch-and-bound ideas to form a new algorithm for this problem that naturally exploits the shape of the objective function. Our algorithm achieves the best bounds for both the general nonconvex and convex case (linear in log (1/ε)), while performing much faster in practice than a straightforward dynamic programming approach, especially as the desired accuracy increases.

Monte Carlo sampling in high-dimensional, low-sample settings is important in many machine learning tasks. We improve current methods for sampling in Euclidean spaces by avoiding independence, and instead consider ways to couple samples. We show fundamental connections to optimal transport theory, leading to novel sampling algorithms, and providing new theoretical grounding for existing strategies. We compare our new strategies against prior methods for improving sample efficiency, including quasi-Monte Carlo, by studying discrepancy. We explore our findings empirically, and observe benefits of our sampling schemes for reinforcement learning and generative modelling.

One of the ultimate promises of computer vision is to help robotic agents perform active tasks, like delivering packages or doing household chores. However, the conventional approach to solving "vision" is to define a set of offline recognition problems (e.g. object detection) and solve those first. This approach faces a challenge from the recent rise of Deep Reinforcement Learning frameworks that learn active tasks from scratch using images as input. This poses a set of fundamental questions: what is the role of computer vision if everything can be learned from scratch? Could intermediate vision tasks actually be useful for performing arbitrary downstream active tasks? We show that proper use of mid-level perception confers significant advantages over training from scratch. We implement a perception module as a set of mid-level visual representations and demonstrate that learning active tasks with mid-level features is significantly more sample-efficient than scratch and able to generalize in situations where the from-scratch approach fails. However, we show that realizing these gains requires careful selection of the particular mid-level features for each downstream task. Finally, we put forth a simple and efficient perception module based on the results of our study, which can be adopted as a rather generic perception module for active frameworks.

Deep neural networks have been known to be vulnerable to adversarial attacks, raising lots of security concerns in the practical deployment. Popular defensive approaches can be formulated as a (distributionally) robust optimization problem, which minimizes a ``point estimate'' of worst-case loss derived from either per-datum perturbation or adversary data-generating distribution within certain pre-defined constraints. This point estimate ignores potential test adversaries that are beyond the pre-defined constraints. The model robustness might deteriorate sharply in the scenario of stronger test adversarial data. In this work, a novel robust training framework is proposed to alleviate this issue, Bayesian Robust Learning, in which a distribution is put on the adversarial data-generating distribution to account for the uncertainty of the adversarial data-generating process. The uncertainty directly helps to consider the potential adversaries that are stronger than the point estimate in the cases of distributionally robust optimization. The uncertainty of model parameters is also incorporated to accommodate the full Bayesian framework. We design a scalable Markov Chain Monte Carlo sampling strategy to obtain the posterior distribution over model parameters. Various experiments are conducted to verify the superiority of BAL over existing adversarial training methods. The code for BAL is available at \url{https://tinyurl.com/ycxsaewr }.

While statistics and machine learning offers numerous methods for ensuring generalization, these methods often fail in the presence of *post selection*---the common practice in which the choice of analysis depends on previous interactions with the same dataset. A recent line of work has introduced powerful, general purpose algorithms that ensure a property called *post hoc generalization* (Cummings et al., COLT'16), which says that no person when given the output of the algorithm should be able to find any statistic for which the data differs significantly from the population it came from. In this work we show several limitations on the power of algorithms satisfying post hoc generalization. First, we show a tight lower bound on the error of any algorithm that satisfies post hoc generalization and answers adaptively chosen statistical queries, showing a strong barrier to progress in post selection data analysis. Second, we show that post hoc generalization is not closed under composition, despite many examples of such algorithms exhibiting strong composition properties.

Link prediction is a key problem for network-structured data. Link prediction heuristics use some score functions, such as common neighbors and Katz index, to measure the likelihood of links. They have obtained wide practical uses due to their simplicity, interpretability, and for some of them, scalability. However, every heuristic has a strong assumption on when two nodes are likely to link, which limits their effectiveness on networks where these assumptions fail. In this regard, a more reasonable way should be learning a suitable heuristic from a given network instead of using predefined ones. By extracting a local subgraph around each target link, we aim to learn a function mapping the subgraph patterns to link existence, thus automatically learning a ``heuristic'' that suits the current network. In this paper, we study this heuristic learning paradigm for link prediction. First, we develop a novel $\gamma$-decaying heuristic theory. The theory unifies a wide range of heuristics in a single framework, and proves that all these heuristics can be well approximated from local subgraphs. Our results show that local subgraphs reserve rich information related to link existence. Second, based on the $\gamma$-decaying theory, we propose a new method to learn heuristics from local subgraphs using a graph neural network (GNN). Its experimental results show unprecedented performance, working consistently well on a wide range of problems.

A theoretical performance analysis of the graph neural network (GNN) is presented. For classification tasks, the neural network approach has the advantage in terms of flexibility that it can be employed in a data-driven manner, whereas Bayesian inference requires the assumption of a specific model. A fundamental question is then whether GNN has a high accuracy in addition to this flexibility. Moreover, whether the achieved performance is predominately a result of the backpropagation or the architecture itself is a matter of considerable interest. To gain a better insight into these questions, a mean-field theory of a minimal GNN architecture is developed for the graph partitioning problem. This demonstrates a good agreement with numerical experiments.

Let $\PP=\{ p_1, p_2, \ldots p_n \}$ and $\QQ = \{ q_1, q_2 \ldots q_m \}$ be two point sets in an arbitrary metric space. Let $\AA$ represent the $m\times n$ pairwise distance matrix with $\AA_{i,j} = d(p_i, q_j)$. Such distance matrices are commonly computed in software packages and have applications to learning image manifolds, handwriting recognition, and multi-dimensional unfolding, among other things. In an attempt to reduce their description size, we study low rank approximation of such matrices. Our main result is to show that for any underlying distance metric $d$, it is possible to achieve an additive error low rank approximation in sublinear time. We note that it is provably impossible to achieve such a guarantee in sublinear time for arbitrary matrices $\AA$, and our proof exploits special properties of distance matrices. We develop a recursive algorithm based on additive projection-cost preserving sampling. We then show that in general, relative error approximation in sublinear time is impossible for distance matrices, even if one allows for bicriteria solutions. Additionally, we show that if $\PP = \QQ$ and $d$ is the squared Euclidean distance, which is not a metric but rather the square of a metric, then a relative error bicriteria solution can be found in sublinear time. Finally, we empirically compare our algorithm with the SVD and input sparsity time algorithms. Our algorithm is several hundred times faster than the SVD, and about $8$-$20$ times faster than input sparsity methods on real-world and and synthetic datasets of size $10^8$. Accuracy-wise, our algorithm is only slightly worse than that of the SVD (optimal) and input-sparsity time algorithms.

This paper proposes a stochastic variant of a classic algorithm---the cubic-regularized Newton method [Nesterov and Polyak]. The proposed algorithm efficiently escapes saddle points and finds approximate local minima for general smooth, nonconvex functions in only $\mathcal{\tilde{O}}(\epsilon^{-3.5})$ stochastic gradient and stochastic Hessian-vector product evaluations. The latter can be computed as efficiently as stochastic gradients. This improves upon the $\mathcal{\tilde{O}}(\epsilon^{-4})$ rate of stochastic gradient descent. Our rate matches the best-known result for finding local minima without requiring any delicate acceleration or variance-reduction techniques.

We consider semidefinite programs (SDPs) of size $n$ with equality constraints. In order to overcome scalability issues, Burer and Monteiro proposed a factorized approach based on optimizing over a matrix $Y$ of size $n\times k$ such that $X=YY^*$ is the SDP variable. The advantages of such formulation are twofold: the dimension of the optimization variable is reduced, and positive semidefiniteness is naturally enforced. However, optimization in $Y$ is non-convex. In prior work, it has been shown that, when the constraints on the factorized variable regularly define a smooth manifold, provided $k$ is large enough, for almost all cost matrices, all second-order stationary points (SOSPs) are optimal. Importantly, in practice, one can only compute points which approximately satisfy necessary optimality conditions, leading to the question: are such points also approximately optimal? To this end, and under similar assumptions, we use smoothed analysis to show that approximate SOSPs for a randomly perturbed objective function are approximate global optima, with $k$ scaling like the square root of the number of constraints (up to log factors). We particularize our results to an SDP relaxation of phase retrieval.