We study the implicit regularization properties of optimization techniques by explicitly connecting their optimization paths to the regularization paths of ``corresponding'' regularized problems. This surprising connection shows that iterates of optimization techniques such as gradient descent and mirror descent are \emph{pointwise} close to solutions of appropriately regularized objectives. While such a tight connection between optimization and regularization is of independent intellectual interest, it also has important implications for machine learning: we can port results from regularized estimators to optimization, and vice versa. We investigate one key consequence, that borrows from the well-studied analysis of regularized estimators, to then obtain tight excess risk bounds of the iterates generated by optimization techniques.

Bayesian optimization usually assumes that a Bayesian prior is given. However, the strong theoretical guarantees in Bayesian optimization are often regrettably compromised in practice because of unknown parameters in the prior. In this paper, we adopt a variant of empirical Bayes and show that, by estimating the Gaussian process prior from offline data sampled from the same prior and constructing unbiased estimators of the posterior, variants of both GP-UCB and \emph{probability of improvement} achieve a near-zero regret bound, which decreases to a constant proportional to the observational noise as the number of offline data and the number of online evaluations increase. Empirically, we have verified our approach on challenging simulated robotic problems featuring task and motion planning.

Approximate Bayesian computation (ABC) is an important methodology for Bayesian inference when the likelihood function is intractable. Sampling-based ABC algorithms such as rejection- and K2-ABC are inefficient when the parameters have high dimensions, while the regression-based algorithms such as K- and DR-ABC are hard to scale. In this paper, we introduce an optimization-based ABC framework that addresses these deficiencies. Leveraging a generative model for posterior and joint distribution matching, we show that ABC can be framed as saddle point problems, whose objectives can be accessed directly with samples. We present the predictive ABC algorithm (P-ABC), and provide a probabilistically approximately correct (PAC) bound that guarantees its learning consistency. Numerical experiment shows that P-ABC outperforms both K2- and DR-ABC significantly.

We advocate Laplacian K-modes for joint clustering and density mode finding, and propose a concave-convex relaxation of the problem, which yields a parallel algorithm that scales up to large datasets and high dimensions. We optimize a tight bound (auxiliary function) of our relaxation, which, at each iteration, amounts to computing an independent update for each cluster-assignment variable, with guar- anteed convergence. Therefore, our bound optimizer can be trivially distributed for large-scale data sets. Furthermore, we show that the density modes can be obtained as byproducts of the assignment variables via simple maximum-value operations whose additional computational cost is linear in the number of data points. Our formulation does not need storing a full affinity matrix and computing its eigenvalue decomposition, neither does it perform expensive projection steps and Lagrangian-dual inner iterates for the simplex constraints of each point. Fur- thermore, unlike mean-shift, our density-mode estimation does not require inner- loop gradient-ascent iterates. It has a complexity independent of feature-space dimension, yields modes that are valid data points in the input set and is appli- cable to discrete domains as well as arbitrary kernels. We report comprehensive experiments over various data sets, which show that our algorithm yields very competitive performances in term of optimization quality (i.e., the value of the discrete-variable objective at convergence) and clustering accuracy.

Bayesian optimization is a sample-efficient approach to global optimization that relies on theoretically motivated value heuristics (acquisition functions) to guide its search process. Fully maximizing acquisition functions produces the Bayes' decision rule, but this ideal is difficult to achieve since these functions are frequently non-trivial to optimize. This statement is especially true when evaluating queries in parallel, where acquisition functions are routinely non-convex, high-dimensional, and intractable. We first show that acquisition functions estimated via Monte Carlo integration are consistently amenable to gradient-based optimization. Subsequently, we identify a common family of acquisition functions, including EI and UCB, whose characteristics not only facilitate but justify use of greedy approaches for their maximization.

We present an end-to-end framework for solving the Vehicle Routing Problem (VRP) using reinforcement learning. In this approach, we train a single policy model that finds near-optimal solutions for a broad range of problem instances of similar size, only by observing the reward signals and following feasibility rules. We consider a parameterized stochastic policy, and by applying a policy gradient algorithm to optimize its parameters, the trained model produces the solution as a sequence of consecutive actions in real time, without the need to retrain for every new problem instance. On capacitated VRP, our approach outperforms classical heuristics and Google's OR-Tools on medium-sized instances in solution quality with comparable computation time (after training). We demonstrate how our approach can handle problems with split delivery and explore the effect of such deliveries on the solution quality. Our proposed framework can be applied to other variants of the VRP such as the stochastic VRP, and has the potential to be applied more generally to combinatorial optimization problems.

Adaptive gradient methods that rely on scaling gradients down by the square root of exponential moving averages of past squared gradients, such RMSProp, Adam, Adadelta have found wide application in optimizing the nonconvex problems that arise in deep learning. However, it has been recently demonstrated that such methods can fail to converge even in simple convex optimization settings. In this work, we provide a new analysis of such methods applied to nonconvex stochastic optimization problems, characterizing the effect of increasing minibatch size. Our analysis shows that under this scenario such methods do converge to stationarity up to the statistical limit of variance in the stochastic gradients (scaled by a constant factor). In particular, our result implies that increasing minibatch sizes enables convergence, thus providing a way to circumvent the non-convergence issues. Furthermore, we provide a new adaptive optimization algorithm, Yogi, which controls the increase in effective learning rate, leading to even better performance with similar theoretical guarantees on convergence. Extensive experiments show that Yogi with very little hyperparameter tuning outperforms methods such as Adam in several challenging machine learning tasks.

An Euler discretization of the Langevin diffusion is known to converge to the global minimizers of certain convex and non-convex optimization problems. We show that this property holds for any suitably smooth diffusion and that different diffusions are suitable for optimizing different classes of convex and non-convex functions. This allows us to design diffusions suitable for globally optimizing convex and non-convex functions not covered by the existing Langevin theory. Our non-asymptotic analysis delivers computable optimization and integration error bounds based on easily accessed properties of the objective and chosen diffusion. Central to our approach are new explicit Stein factor bounds on the solutions of Poisson equations. We complement these results with improved optimization guarantees for targets other than the standard Gibbs measure.

In this paper we study the fundamental problems of maximizing a continuous non monotone submodular function over a hypercube, with and without coordinate-wise concavity. This family of optimization problems has several applications in machine learning, economics, and communication systems. Our main result is the first 1/2 approximation algorithm for continuous submodular function maximization; this approximation factor of is the best possible for algorithms that use only polynomially many queries. For the special case of DR-submodular maximization, we provide a faster 1/2-approximation algorithm that runs in (almost) linear time. Both of these results improve upon prior work [Bian et al., 2017, Soma and Yoshida, 2017, Buchbinder et al., 2012]. Our first algorithm is a single-pass algorithm that uses novel ideas such as reducing the guaranteed approximation problem to analyzing a zero-sum game for each coordinate, and incorporates the geometry of this zero-sum game to fix the value at this coordinate. Our second algorithm is a faster single-pass algorithm that exploits coordinate-wise concavity to identify a monotone equilibrium condition sufficient for getting the required approximation guarantee, and hunts for the equilibrium point using binary search. We further run experiments to verify the performance of our proposed algorithms in related machine learning applications.

Learning to make decisions from observed data in dynamic environments remains a problem of fundamental importance in a numbers of fields, from artificial intelligence and robotics, to medicine and finance. This paper concerns the problem of learning control policies for unknown linear dynamical systems so as to maximize a quadratic reward function. We present a method to optimize the expected value of the reward over the posterior distribution of the unknown system parameters, given data. The algorithm involves sequential convex programing, and enjoys reliable local convergence and robust stability guarantees. Numerical simulations and stabilization of a real-world inverted pendulum are used to demonstrate the approach, with strong performance and robustness properties observed in both.