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 re-train 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.

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.

Estimating the structure of directed acyclic graphs (DAGs, also known as Bayesian networks) is a challenging problem since the search space of DAGs is combinatorial and scales superexponentially with the number of nodes. Existing approaches rely on various local heuristics for enforcing the acyclicity constraint. In this paper, we introduce a fundamentally different strategy: we formulate the structure learning problem as a purely continuous optimization problem over real matrices that avoids this combinatorial constraint entirely. This is achieved by a novel characterization of acyclicity that is not only smooth but also exact. The resulting problem can be efficiently solved by standard numerical algorithms, which also makes implementation effortless.

In this paper, we examine a class of non-convex stochastic optimization problems which we call variationally coherent, and which properly includes pseudo-/quasiconvex and star-convex optimization problems. To solve such problems, we focus on the widely used stochastic mirror descent (SMD) family of algorithms (which contains stochastic gradient descent as a special case), and we show that the last iterate of SMD converges to the problem's solution set with probability 1. This result contributes to the landscape of non-convex stochastic optimization by clarifying that neither pseudo-/quasi-convexity nor star-convexity is essential for (almost sure) global convergence; rather, variational coherence, a much weaker requirement, suffices. Characterization of convergence rates for the subclass of strongly variationally coherent optimization problems as well as simulation results are also presented. Papers published at the Neural Information Processing Systems Conference.

Symmetric determinantal point processes (DPP) are a class of probabilistic models that encode the random selection of items that have a repulsive behavior. They have attracted a lot of attention in machine learning, where returning diverse sets of items is sought for. Sampling and learning these symmetric DPP's is pretty well understood. In this work, we consider a new class of DPP's, which we call signed DPP's, where we break the symmetry and allow attractive behaviors. We set the ground for learning signed DPP's through a method of moments, by solving the so called principal assignment problem for a class of matrices $K$ that satisfy $K_{i,j} \pm K_{j,i}$, $i eq j$, in polynomial time.

We propose a method for feature selection that employs kernel-based measures of independence to find a subset of covariates that is maximally predictive of the response. Building on past work in kernel dimension reduction, we show how to perform feature selection via a constrained optimization problem involving the trace of the conditional covariance operator. We prove various consistency results for this procedure, and also demonstrate that our method compares favorably with other state-of-the-art algorithms on a variety of synthetic and real data sets. Papers published at the Neural Information Processing Systems Conference.

The \emph{Cheap Gradient Principle} \citep{Griewank:2008:EDP:1455489} --- the computational cost of computing a $d$-dimensional vector of partial derivatives of a scalar function is nearly the same (often within a factor of $5$) as that of simply computing the scalar function itself --- is of central importance in optimization; it allows us to quickly obtain (high-dimensional) gradients of scalar loss functions which are subsequently used in black box gradient-based optimization procedures. The current state of affairs is markedly different with regards to computing sub-derivatives: widely used ML libraries, including TensorFlow and PyTorch, do \emph{not} correctly compute (generalized) sub-derivatives even on simple differentiable examples. This work considers the question: is there a \emph{Cheap Sub-gradient Principle}? Our main result shows that, under certain restrictions on our library of non-smooth functions (standard in non-linear programming), provably correct generalized sub-derivatives can be computed at a computational cost that is within a (dimension-free) factor of $6$ of the cost of computing the scalar function itself. Papers published at the Neural Information Processing Systems Conference.

Generative Adversarial Networks (GANs) are one of the most practical methods for learning data distributions. A popular GAN formulation is based on the use of Wasserstein distance as a metric between probability distributions. Unfortunately, minimizing the Wasserstein distance between the data distribution and the generative model distribution is a computationally challenging problem as its objective is non-convex, non-smooth, and even hard to compute. In this work, we show that obtaining gradient information of the smoothed Wasserstein GAN formulation, which is based on regularized Optimal Transport (OT), is computationally effortless and hence one can apply first order optimization methods to minimize this objective. Consequently, we establish theoretical convergence guarantee to stationarity for a proposed class of GAN optimization algorithms. Unlike the original non-smooth formulation, our algorithm only requires solving the discriminator to approximate optimality.

Bayesian optimization (BO) is a model-based approach for gradient-free black-box function optimization, such as hyperparameter optimization. Typically, BO relies on conventional Gaussian process (GP) regression, whose algorithmic complexity is cubic in the number of evaluations. As a result, GP-based BO cannot leverage large numbers of past function evaluations, for example, to warm-start related BO runs. We propose a multi-task adaptive Bayesian linear regression model for transfer learning in BO, whose complexity is linear in the function evaluations: one Bayesian linear regression model is associated to each black-box function optimization problem (or task), while transfer learning is achieved by coupling the models through a shared deep neural net. Experiments show that the neural net learns a representation suitable for warm-starting the black-box optimization problems and that BO runs can be accelerated when the target black-box function (e.g., validation loss) is learned together with other related signals (e.g., training loss).

The design of good heuristics or approximation algorithms for NP-hard combinatorial optimization problems often requires significant specialized knowledge and trial-and-error. Can we automate this challenging, tedious process, and learn the algorithms instead? In many real-world applications, it is typically the case that the same optimization problem is solved again and again on a regular basis, maintaining the same problem structure but differing in the data. This provides an opportunity for learning heuristic algorithms that exploit the structure of such recurring problems. In this paper, we propose a unique combination of reinforcement learning and graph embedding to address this challenge.