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Register a new userSolving Optimal Experimental Design with Sequential Quadratic Programming and Chebyshev Interpolation
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Jing Yu
Publication date
2019
fields
Mathematical Statistics
and research's language is
English
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We propose an optimization algorithm to compute the optimal sensor locations in experimental design in the formulation of Bayesian inverse problems, where the parameter-to-observable mapping is described through an integral equation and its discretization results in a continuously indexed matrix whose size depends on the mesh size n. By approximating the gradient and Hessian of the objective design criterion from Chebyshev interpolation, we solve a sequence of quadratic programs and achieve the complexity $mathcal{O}(nlog^2(n))$. An error analysis guarantees the integrality gap shrinks to zero as $ntoinfty$, and we apply the algorithm on a two-dimensional advection-diffusion equation, to determine the LIDARs optimal sensing directions for data collection.
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Maximum likelihood estimation of mixture proportions has a long history, and continues to play an important role in modern statistics, including in development of nonparametric empirical Bayes methods. Maximum likelihood of mixture proportions has traditionally been solved using the expectation maximization (EM) algorithm, but recent work by Koenker & Mizera shows that modern convex optimization techniques -- in particular, interior point methods -- are substantially faster and more accurate than EM. Here, we develop a new solution based on sequential quadratic programming (SQP). It is substantially faster than the interior point method, and just as accurate. Our approach combines several ideas: first, it solves a reformulation of the original problem; second, it uses an SQP approach to make the best use of the expensive gradient and Hessian computations; third, the SQP iterations are implemented using an active set method to exploit the sparse nature of the quadratic subproblems; fourth, it uses accurate low-rank approximations for more efficient gradient and Hessian computations. We illustrate the benefits of our approach in experiments on synthetic data sets as well as a large genetic association data set. In large data sets (n = 1,000,000 observations, m = 1,000 mixture components), our implementation achieves at least 100-fold reduction in runtime compared with a state-of-the-art interior point solver. Our methods are implemented in Julia, and in an R package available on CRAN (see https://CRAN.R-project.org/package=mixsqp).
The celebrated multi-armed bandit problem in decision theory models the basic trade-off between exploration, or learning about the state of a system, and exploitation, or utilizing the system. In this paper we study the variant of the multi-armed bandit problem where the exploration phase involves costly experiments and occurs before the exploitation phase; and where each play of an arm during the exploration phase updates a prior belief about the arm. The problem of finding an inexpensive exploration strategy to optimize a certain exploitation objective is NP-Hard even when a single play reveals all information about an arm, and all exploration steps cost the same. We provide the first polynomial time constant-factor approximation algorithm for this class of problems. We show that this framework also generalizes several problems of interest studied in the context of data acquisition in sensor networks. Our analyses also extends to switching and setup costs, and to concave utility objectives. Our solution approach is via a novel linear program rounding technique based on stochastic packing. In addition to yielding exploration policies whose performance is within a small constant factor of the adaptive optimal policy, a nice feature of this approach is that the resulting policies explore the arms sequentially without revisiting any arm. Sequentiality is a well-studied concept in decision theory, and is very desirable in domains where multiple explorations can be conducted in parallel, for instance, in the sensor network context.
We introduce Deep Adaptive Design (DAD), a method for amortizing the cost of adaptive Bayesian experimental design that allows experiments to be run in real-time. Traditional sequential Bayesian optimal experimental design approaches require substantial computation at each stage of the experiment. This makes them unsuitable for most real-world applications, where decisions must typically be made quickly. DAD addresses this restriction by learning an amortized design network upfront and then using this to rapidly run (multiple) adaptive experiments at deployment time. This network represents a design policy which takes as input the data from previous steps, and outputs the next design using a single forward pass; these design decisions can be made in milliseconds during the live experiment. To train the network, we introduce contrastive information bounds that are suitable objectives for the sequential setting, and propose a customized network architecture that exploits key symmetries. We demonstrate that DAD successfully amortizes the process of experimental design, outperforming alternative strategies on a number of problems.
In this paper we introduce the transductive linear bandit problem: given a set of measurement vectors $mathcal{X}subset mathbb{R}^d$, a set of items $mathcal{Z}subset mathbb{R}^d$, a fixed confidence $delta$, and an unknown vector $theta^{ast}in mathbb{R}^d$, the goal is to infer $text{argmax}_{zin mathcal{Z}} z^toptheta^ast$ with probability $1-delta$ by making as few sequentially chosen noisy measurements of the form $x^toptheta^{ast}$ as possible. When $mathcal{X}=mathcal{Z}$, this setting generalizes linear bandits, and when $mathcal{X}$ is the standard basis vectors and $mathcal{Z}subset {0,1}^d$, combinatorial bandits. Such a transductive setting naturally arises when the set of measurement vectors is limited due to factors such as availability or cost. As an example, in drug discovery the compounds and dosages $mathcal{X}$ a practitioner may be willing to evaluate in the lab in vitro due to cost or safety reasons may differ vastly from those compounds and dosages $mathcal{Z}$ that can be safely administered to patients in vivo. Alternatively, in recommender systems for books, the set of books $mathcal{X}$ a user is queried about may be restricted to well known best-sellers even though the goal might be to recommend more esoteric titles $mathcal{Z}$. In this paper, we provide instance-dependent lower bounds for the transductive setting, an algorithm that matches these up to logarithmic factors, and an evaluation. In particular, we provide the first non-asymptotic algorithm for linear bandits that nearly achieves the information theoretic lower bound.
Bayesian optimal experimental design (BOED) is a principled framework for making efficient use of limited experimental resources. Unfortunately, its applicability is hampered by the difficulty of obtaining accurate estimates of the expected information gain (EIG) of an experiment. To address this, we introduce several classes of fast EIG estimators by building on ideas from amortized variational inference. We show theoretically and empirically that these estimators can provide significant gains in speed and accuracy over previous approaches. We further demonstrate the practicality of our approach on a number of end-to-end experiments.
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