Constrained sampling and counting are two fundamental problems in artificial intelligence with a diverse range of applications, spanning probabilistic reasoning and planning to constrained-random verification. While the theory of these problems was thoroughly investigated in the 1980s, prior work either did not scale to industrial size instances or gave up correctness guarantees to achieve scalability. Recently, we proposed a novel approach that combines universal hashing and SAT solving and scales to formulas with hundreds of thousands of variables without giving up correctness guarantees. This paper provides an overview of the key ingredients of the approach and discusses challenges that need to be overcome to handle larger real-world instances.
Industrial approaches to constrained sampling in the context of constrained-random verification @cite_24 either rely on Binary Decision Diagram (BDD)-based techniques @cite_45 , which scale rather poorly, or use heuristics that offer no guarantee of performance or uniformity when applied to large problem instances @cite_30 . In prior academic works @cite_40 @cite_51 @cite_19 @cite_21 , the focus is on heuristic techniques including Markov chain Monte Carlo (MCMC) methods and techniques based on random seeding of solvers. These methods scale to large problem instances, but either offer very weak or no guarantees on the uniformity of sampling, or require the user to provide hard-to-estimate problem-specific parameters that crucially affect the performance and uniformity of sampling @cite_39 @cite_3 @cite_49 @cite_30 .
@cite_30 @cite_21 @cite_3 @cite_39 @cite_24 @cite_19 @cite_40 @cite_45 @cite_49 @cite_51
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In this paper, we study the problem of sampling from a given probability density function that is known to be smooth and strongly log-concave. We analyze several methods of approximate sampling based on discretizations of the (highly overdamped) Langevin diffusion and establish guarantees on its error measured in the Wasserstein-2 distance. Our guarantees improve or extend the state-of-the-art results in three directions. First, we provide an upper bound on the error of the first-order Langevin Monte Carlo (LMC) algorithm with optimized varying step-size. This result has the advantage of being horizon free (we do not need to know in advance the target precision) and to improve by a logarithmic factor the corresponding result for the constant step-size. Second, we study the case where accurate evaluations of the gradient of the log-density are unavailable, but one can have access to approximations of the aforementioned gradient. In such a situation, we consider both deterministic and stochastic approximations of the gradient and provide an upper bound on the sampling error of the first-order LMC that quantifies the impact of the gradient evaluation inaccuracies. Third, we establish upper bounds for two versions of the second-order LMC, which leverage the Hessian of the log-density. We nonasymptotic guarantees on the sampling error of these second-order LMCs. These guarantees reveal that the second-order LMC algorithms improve on the first-order LMC in ill-conditioned settings. Recently, Stochastic Gradient Markov Chain Monte Carlo (SG-MCMC) methods have been proposed for scaling up Monte Carlo computations to large data problems. Whilst these approaches have proven useful in many applications, vanilla SG-MCMC might suffer from poor mixing rates when random variables exhibit strong couplings under the target densities or big scale differences. In this study, we propose a novel SG-MCMC method that takes the local geometry into account by using ideas from Quasi-Newton optimization methods. These second order methods directly approximate the inverse Hessian by using a limited history of samples and their gradients. Our method uses dense approximations of the inverse Hessian while keeping the time and memory complexities linear with the dimension of the problem. We provide a formal theoretical analysis where we show that the proposed method is asymptotically unbiased and consistent with the posterior expectations. We illustrate the effectiveness of the approach on both synthetic and real datasets. Our experiments on two challenging applications show that our method achieves fast convergence rates similar to Riemannian approaches while at the same time having low computational requirements similar to diagonal preconditioning approaches. Abstract This article describes a new Metropolis-like transition rule, the multiple-try Metropolis, for Markov chain Monte Carlo (MCMC) simulations. By using this transition rule together with adaptive direction sampling, we propose a novel method for incorporating local optimization steps into a MCMC sampler in continuous state-space. Numerical studies show that the new method performs significantly better than the traditional Metropolis-Hastings (M-H) sampler. With minor tailoring in using the rule, the multiple-try method can also be exploited to achieve the effect of a griddy Gibbs sampler without having to bear with griddy approximations, and the effect of a hit-and-run algorithm without having to figure out the required conditional distribution in a random direction. In human-robot collaborative tasks, incorporating qualitative information provided by humans can greatly enhance the robustness and efficacy of robot state estimation. We introduce an algorithmic framework to model qualitative information as quantitative constraints on and between states. Our approach, named Sequentially Constrained Hamiltonian Monte Carlo, integrates Hamiltonian dynamics into Sequentially Constrained Monte Carlo sampling. We are able to generate samples that satisfy arbitrarily complex, non-smooth and discontinuous constraints, which in turn allows us to support a wide range of qualitative information. We evaluate our approach for constrained sampling qualitatively and quantitatively with several classes of constraints. SCHMC significantly outperforms the Metropolis-Hastings algorithm (a standard Markov Chain Monte Carlo (MCMC) method) and the Hamiltonian Monte Carlo (HMC) method, in terms of both the accuracy of the sampling (for satisfying constraints) and the quality of approximation. Compared to Sequentially Constrained Monte Carlo (SCMC), which supports similar kinds of constraints, our SCHMC approach has faster convergence rates and lower parameter sensitivity. We reconsider randomized algorithms for the low-rank approximation of symmetric positive semi-definite (SPSD) matrices such as Laplacian and kernel matrices that arise in data analysis and machine learning applications. Our main results consist of an empirical evaluation of the performance quality and running time of sampling and projection methods on a diverse suite of SPSD matrices. Our results highlight complementary aspects of sampling versus projection methods; they characterize the effects of common data preprocessing steps on the performance of these algorithms; and they point to important differences between uniform sampling and nonuniform sampling methods based on leverage scores. In addition, our empirical results illustrate that existing theory is so weak that it does not provide even a qualitative guide to practice. Thus, we complement our empirical results with a suite of worst-case theoretical bounds for both random sampling and random projection methods. These bounds are qualitatively superior to existing bounds--e.g., improved additive-error bounds for spectral and Frobenius norm error and relative-error bounds for trace norm error--and they point to future directions to make these algorithms useful in even larger-scale machine learning applications. We reconsider randomized algorithms for the low-rank approximation of symmetric positive semi-definite (SPSD) matrices such as Laplacian and kernel matrices that arise in data analysis and machine learning applications. Our main results consist of an empirical evaluation of the performance quality and running time of sampling and projection methods on a diverse suite of SPSD matrices. Our results highlight complementary aspects of sampling versus projection methods; they characterize the effects of common data preprocessing steps on the performance of these algorithms; and they point to important differences between uniform sampling and nonuniform sampling methods based on leverage scores. In addition, our empirical results illustrate that existing theory is so weak that it does not provide even a qualitative guide to practice. Thus, we complement our empirical results with a suite of worst-case theoretical bounds for both random sampling and random projection methods. These bounds are qualitatively superior to existing bounds---e.g. improved additive-error bounds for spectral and Frobenius norm error and relative-error bounds for trace norm error---and they point to future directions to make these algorithms useful in even larger-scale machine learning applications. In this paper we propose a general framework for the uncertainty quantification of quantities of interest for high-contrast single-phase flow problems. It is based on the generalized multiscale finite element method (GMsFEM) and multilevel Monte Carlo (MLMC) methods. The former provides a hierarchy of approximations of different resolution, whereas the latter gives an efficient way to estimate quantities of interest using samples on different levels. The number of basis functions in the online GMsFEM stage can be varied to determine the solution resolution and the computational cost, and to efficiently generate samples at different levels. In particular, it is cheap to generate samples on coarse grids but with low resolution, and it is expensive to generate samples on fine grids with high accuracy. By suitably choosing the number of samples at different levels, one can leverage the expensive computation in larger fine-grid spaces toward smaller coarse-grid spaces, while retaining the accuracy of the final Monte Carlo estimate. Further, we describe a multilevel Markov chain Monte Carlo method, which sequentially screens the proposal with different levels of approximations and reduces the number of evaluations required on fine grids, while combining the samples at different levels to arrive at an accurate estimate. The framework seamlessly integrates the multiscale features of the GMsFEM with the multilevel feature of the MLMC methods following the work in [26], and our numerical experiments illustrate its efficiency and accuracy in comparison with standard Monte Carlo estimates. Received 28 May 2002; revised 18 September 2002; accepted 24 September 2002; published 14 February 2003. [1] When an inverse problem is solved to estimate an unknown function such as the hydraulic conductivity in an aquifer or the contamination history at a site, one constraint is that the unknown function is known to be everywhere nonnegative. In this work, we develop a statistically rigorous method for enforcing function nonnegativity in Bayesian inverse problems. The proposed method behaves similarly to a Gaussian process with a linear variogram (i.e., unrestricted Brownian motion) for parameter values significantly greater than zero. The method uses the method of images to define a prior probability density function based on reflected Brownian motion that implicitly enforces nonnegativity. This work focuses on problems where the unknown is a function of a single variable (e.g., time). A Markov chain Monte Carlo (MCMC) method, specifically, a highly efficient Gibbs sampler, is implemented to generate conditional realizations of the unknown function. The new method is applied to the estimation of the trichloroethylene (TCE) and perchloroethylene (PCE) contamination history in an aquifer at Dover Air Force Base, Delaware, based on concentration profiles obtained from an underlying aquitard. INDEX TERMS: 1831 Hydrology: Groundwater quality; 1869 Hydrology: Stochastic processes; 3260 Mathematical Geophysics: Inverse theory; KEYWORDS: stochastic inverse modeling, contaminant source identification, inference under constraints, Markov chain Monte Carlo (MCMC), Gibbs sampling, Bayesian inference Despite having various attractive qualities such as high prediction accuracy and the ability to quantify uncertainty and avoid over-fitting, Bayesian Matrix Factorization has not been widely adopted because of the prohibitive cost of inference. In this paper, we propose a scalable distributed Bayesian matrix factorization algorithm using stochastic gradient MCMC. Our algorithm, based on Distributed Stochastic Gradient Langevin Dynamics, can not only match the prediction accuracy of standard MCMC methods like Gibbs sampling, but at the same time is as fast and simple as stochastic gradient descent. In our experiments, we show that our algorithm can achieve the same level of prediction accuracy as Gibbs sampling an order of magnitude faster. We also show that our method reduces the prediction error as fast as distributed stochastic gradient descent, achieving a 4.1 improvement in RMSE for the Netflix dataset and an 1.8 for the Yahoo music dataset. Many vision problems have been formulated as energy minimization problems and there have been significant advances in energy minimization algorithms. The most widely-used energy minimization algorithms include graph cuts, belief propagation and tree-reweighted message passing. Although they have obtained good results, they are still unsatisfactory when it comes to more difficult MRF problems such as non-submodular energy functions, highly connected MRFs, and high-order clique potentials. There have also been other approaches, known as stochastic sampling-based algorithms, which include simulated annealing, Markov chain Monte Carlo and population based Markov chain Monte Carlo. They are applicable to any general energy models but they are usually slower than deterministic methods. In this paper, we propose new algorithms which elegantly combine stochastic and deterministic methods. Sampling-based methods are boosted by deterministic methods so that they can rapidly move to lower energy states and easily jump over energy barriers. In different point of view, the sampling-based method prevents deterministic methods from getting stuck at local minima. Consequently, a combination of both approaches substantially increases the quality of the solutions. We present a thorough analysis of the proposed methods in synthetic MRF problems by controlling the hardness of the problems. We also demonstrate experimental results for the photomontage problem which is the most difficult one among the standard MRF benchmark problems.