Computational models in fields such as computational neuroscience are often evaluated via stochastic simulation or numerical approximation. Fitting these models implies a difficult optimization problem over complex, possibly noisy parameter landscapes. Bayesian optimization (BO) has been successfully applied to solving expensive black-box problems in engineering and machine learning. Here we explore whether BO can be applied as a general tool for model fitting. First, we present a novel hybrid BO algorithm, Bayesian adaptive direct search (BADS), that achieves competitive performance with an affordable computational overhead for the running time of typical models. We then perform an extensive benchmark of BADS vs. many common and state-of-the-art nonconvex, derivative-free optimizers, on a set of model-fitting problems with real data and models from six studies in behavioral, cognitive, and computational neuroscience. With default settings, BADS consistently finds comparable or better solutions than other methods, including `vanilla' BO, showing great promise for advanced BO techniques, and BADS in particular, as a general model-fitting tool.

This paper investigates connections between discrete and continuous approaches for decomposable submodular function minimization. We provide improved running time estimates for the state-of-the-art continuous algorithms for the problem using combinatorial arguments. We also provide a systematic experimental comparison of the two types of methods, based on a clear distinction between level-0 and level-1 algorithms.

We introduce TrustVI, a fast second-order algorithm for black-box variational inference based on trust-region optimization and the reparameterization trick. At each iteration, TrustVI proposes and assesses a step based on minibatches of draws from the variational distribution. The algorithm provably converges to a stationary point. We implemented TrustVI in the Stan framework and compared it to two alternatives: Automatic Differentiation Variational Inference (ADVI) and Hessian-free Stochastic Gradient Variational Inference (HFSGVI). The former is based on stochastic first-order optimization. The latter uses second-order information, but lacks convergence guarantees. TrustVI typically converged at least one order of magnitude faster than ADVI, demonstrating the value of stochastic second-order information. TrustVI often found substantially better variational distributions than HFSGVI, demonstrating that our convergence theory can matter in practice.

We consider the task of optimizing an objective function subject to inequality constraints when both the objective and the constraints are expensive to evaluate. Bayesian optimization (BO) is a popular way to tackle optimization problems with expensive objective function evaluations, but has mostly been applied to unconstrained problems. Several BO approaches have been proposed to address expensive constraints but are limited to greedy strategies maximizing immediate reward. To address this limitation, we propose a lookahead approach that selects the next evaluation in order to maximize the long-term feasible reduction of the objective function. We present numerical experiments demonstrating the performance improvements of such a lookahead approach compared to several greedy BO algorithms, including constrained expected improvement (EIC) and predictive entropy search with constraint (PESC).

We present a new affine-invariant optimization algorithm called Online Lazy Newton. The regret of Online Lazy Newton is independent of conditioning: the algorithm's performance depends on the best possible preconditioning of the problem in retrospect and on its \emph{intrinsic} dimensionality. As an application, we show how Online Lazy Newton can be used to achieve an optimal regret of order $\sqrt{rT}$ for the low-rank experts problem, improving by a $\sqrt{r}$ factor over the previously best known bound and resolving an open problem posed by Hazan et al (2016).

We study the problem of learning probabilistic first-order logical rules for knowledge base reasoning. This learning problem is difficult because it requires learning the parameters in a continuous space as well as the structure in a discrete space. We propose a framework, Neural Logic Programming, that combines the parameter and structure learning of first-order logical rules in an end-to-end differentiable model. This approach is inspired by a recently-developed differentiable logic called TensorLog [5], where inference tasks can be compiled into sequences of differentiable operations. We design a neural controller system that learns to compose these operations. Empirically, our method outperforms prior work on multiple knowledge base benchmark datasets, including Freebase and WikiMovies.

We consider the problem of bandit optimization, inspired by stochastic optimization and online learning problems with bandit feedback. In this problem, the objective is to minimize a global loss function of all the actions, not necessarily a cumulative loss. This framework allows us to study a very general class of problems, with applications in statistics, machine learning, and other fields. To solve this problem, we analyze the Upper-Confidence Frank-Wolfe algorithm, inspired by techniques for bandits and convex optimization. We give theoretical guarantees for the performance of this algorithm over various classes of functions, and discuss the optimality of these results.

We consider maximum likelihood estimation of linear dynamical systems with generalized-linear observation models. Maximum likelihood is typically considered to be hard in this setting since latent states and transition parameters must be inferred jointly. Given that expectation-maximization does not scale and is prone to local minima, moment-matching approaches from the subspace identification literature have become standard, despite known statistical efficiency issues. In this paper, we instead reconsider likelihood maximization and develop an optimization based strategy for recovering the latent states and transition parameters. Key to the approach is a two-view reformulation of maximum likelihood estimation for linear dynamical systems that enables the use of global optimization algorithms for matrix factorization. We show that the proposed estimation strategy outperforms widely-used identification algorithms such as subspace identification methods, both in terms of accuracy and runtime.

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.

The coordinate descent (CD) method is a classical optimization algorithm that has seen a revival of interest because of its competitive performance in machine learning applications. A number of recent papers provided convergence rate estimates for their deterministic (cyclic) and randomized variants that differ in the selection of update coordinates. These estimates suggest randomized coordinate descent (RCD) performs better than cyclic coordinate descent (CCD), although numerical experiments do not provide clear justification for this comparison. In this paper, we provide examples and more generally problem classes for which CCD (or CD with any deterministic order) is faster than RCD in terms of asymptotic worst-case convergence. Furthermore, we provide lower and upper bounds on the amount of improvement on the rate of CCD relative to RCD, which depends on the deterministic order used. We also provide a characterization of the best deterministic order (that leads to the maximum improvement in convergence rate) in terms of the combinatorial properties of the Hessian matrix of the objective function.