Approximate inference algorithm is one of the fundamental research fields in machine learning. The two dominant theoretical inference frameworks in machine learning are variational inference (VI) and Markov chain Monte Carlo (MCMC). However, because of the fundamental limitation in the theory, it is very challenging to improve existing VI and MCMC methods on both the computational scalability and statistical efficiency. To overcome this obstacle, we propose a new theoretical inference framework called ergodic Inference based on the fundamental property of ergodic transformations. The key contribution of this work is to establish the theoretical foundation of ergodic inference for the development of practical algorithms in future work.
pmlr-v70-hoffman17a proposed another hybrid method based on VI and HMC without auxiliary approximation. The idea is to use a Monte Carlo estimation of the marginal likelihood by averaging over samples from HMC chains, that are initialized by variational distribution. In a very similar framework is proposed using Metropolis-adjusted Langevin dynamics. This idea is very similar to contrastive divergence in @cite_2 . The main disadvantage of this methods is that the HMC parameters are manually pretuned. Especially, As mentioned by , No-U-turn Sampler (NUTS), an adaptive HMC, is not appliable due to engineering difficulties. @cite_6 pointed out that HMC is very sensitive to the choice of Leapfrog step size and number of leaps.
@cite_6 @cite_2
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The paper proposes Metropolis adjusted Langevin and Hamiltonian Monte Carlo sampling methods defined on the Riemann manifold to resolve the shortcomings of existing Monte Carlo algorithms when sampling from target densities that may be high dimensional and exhibit strong correlations. The methods provide fully automated adaptation mechanisms that circumvent the costly pilot runs that are required to tune proposal densities for Metropolis–Hastings or indeed Hamiltonian Monte Carlo and Metropolis adjusted Langevin algorithms. This allows for highly efficient sampling even in very high dimensions where different scalings may be required for the transient and stationary phases of the Markov chain. The methodology proposed exploits the Riemann geometry of the parameter space of statistical models and thus automatically adapts to the local structure when simulating paths across this manifold, providing highly efficient convergence and exploration of the target density. The performance of these Riemann manifold Monte Carlo methods is rigorously assessed by performing inference on logistic regression models, log-Gaussian Cox point processes, stochastic volatility models and Bayesian estimation of dynamic systems described by non-linear differential equations. Substantial improvements in the time-normalized effective sample size are reported when compared with alternative sampling approaches. MATLAB code that is available from http: www.ucl.ac.uk statistics research rmhmc allows replication of all the results reported. Hamiltonian Monte Carlo (HMC) sampling methods provide a mechanism for defining distant proposals with high acceptance probabilities in a Metropolis-Hastings framework, enabling more efficient exploration of the state space than standard random-walk proposals. The popularity of such methods has grown significantly in recent years. However, a limitation of HMC methods is the required gradient computation for simulation of the Hamiltonian dynamical system--such computation is infeasible in problems involving a large sample size or streaming data. Instead, we must rely on a noisy gradient estimate computed from a subset of the data. In this paper, we explore the properties of such a stochastic gradient HMC approach. Surprisingly, the natural implementation of the stochastic approximation can be arbitrarily bad. To address this problem we introduce a variant that uses second-order Langevin dynamics with a friction term that counteracts the effects of the noisy gradient, maintaining the desired target distribution as the invariant distribution. Results on simulated data validate our theory. We also provide an application of our methods to a classification task using neural networks and to online Bayesian matrix factorization. Hamiltonian Monte Carlo (HMC) is a widely deployed method to sample from high-dimensional distributions in Statistics and Machine learning. HMC is known to run very efficiently in practice and its popular second-order "leapfrog" implementation has long been conjectured to run in @math gradient evaluations. Here we show that this conjecture is true when sampling from strongly log-concave target distributions that satisfy a weak third-order regularity property associated with the input data. Our regularity condition is weaker than the Lipschitz Hessian property and allows us to show faster convergence bounds for a much larger class of distributions than would be possible with the usual Lipschitz Hessian constant alone. Important distributions that satisfy our regularity condition include posterior distributions used in Bayesian logistic regression for which the data satisfies an "incoherence" property. Our result compares favorably with the best available bounds for the class of strongly log-concave distributions, which grow like @math gradient evaluations with the dimension. Moreover, our simulations on synthetic data suggest that, when our regularity condition is satisfied, leapfrog HMC performs better than its competitors -- both in terms of accuracy and in terms of the number of gradient evaluations it requires. 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. 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. 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. Stimulus reconstruction or decoding methods provide an important tool for understanding how sensory and motor information is represented in neural activity. We discuss Bayesian decoding methods based on an encoding generalized linear model (GLM) that accurately describes how stimuli are transformed into the spike trains of a group of neurons. The form of the GLM likelihood ensures that the posterior distribution over the stimuli that caused an observed set of spike trains is log concave so long as the prior is. This allows the maximum a posteriori (MAP) stimulus estimate to be obtained using efficient optimization algorithms. Unfortunately, the MAP estimate can have a relatively large average error when the posterior is highly nongaussian. Here we compare several Markov chain Monte Carlo (MCMC) algorithms that allow for the calculation of general Bayesian estimators involving posterior expectations (conditional on model parameters). An efficient version of the hybrid Monte Carlo (HMC) algorithm was significantly superior to other MCMC methods for gaussian priors. When the prior distribution has sharp edges and corners, on the other hand, the “hit-and-run” algorithm performed better than other MCMC methods. Using these algorithms, we show that for this latter class of priors, the posterior mean estimate can have a considerably lower average error than MAP, whereas for gaussian priors, the two estimators have roughly equal efficiency. We also address the application of MCMC methods for extracting nonmarginal properties of the posterior distribution. For example, by using MCMC to calculate the mutual information between the stimulus and response, we verify the validity of a computationally efficient Laplace approximation to this quantity for gaussian priors in a wide range of model parameters; this makes direct model-based computation of the mutual information tractable even in the case of large observed neural populations, where methods based on binning the spike train fail. Finally, we consider the effect of uncertainty in the GLM parameters on the posterior estimators. 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. Sampling logconcave functions arising in statistics and machine learning has been a subject of intensive study. Recent developments include analyses for Langevin dynamics and Hamiltonian Monte Carlo (HMC). While both approaches have dimension-independent bounds for the underlying @math processes under sufficiently strong smoothness conditions, the resulting discrete algorithms have complexity and number of function evaluations growing with the dimension. Motivated by this problem, in this paper, we give a general algorithm for solving multivariate ordinary differential equations whose solution is close to the span of a known basis of functions (e.g., polynomials or piecewise polynomials). The resulting algorithm has polylogarithmic depth and essentially tight runtime - it is nearly linear in the size of the representation of the solution. We apply this to the sampling problem to obtain a nearly linear implementation of HMC for a broad class of smooth, strongly logconcave densities, with the number of iterations (parallel depth) and gradient evaluations being @math in the dimension (rather than polynomial as in previous work). This class includes the widely-used loss function for logistic regression with incoherent weight matrices and has been subject of much study recently. We also give a faster algorithm with @math for the more general and standard class of strongly convex functions with Lipschitz gradient. These results are based on (1) an improved contraction bound for the exact HMC process and (2) logarithmic bounds on the degree of polynomials that approximate solutions of the differential equations arising in implementing HMC. This paper describes a light field compression scheme based on a novel homography-based low-rank approximation method called HLRA. The HLRA method jointly searches for the set of homographies best aligning the light field views and for the low-rank approximation matrices. The light field views are aligned using either one global homography or multiple homographies depending on how much the disparity across views varies from one depth plane to the other. The light field low-rank representation is then compressed using high efficiency video coding (HEVC). The best pair of rank and quantization parameters of the coding scheme, for a given target bit rate, is predicted with a model defined as a function of light field disparity and texture features. The results are compared with those obtained by directly applying HEVC on the light field views restructured as a pseudovideo sequence. The experiments using different datasets show substantial peak signal to noise ratio (PSNR)-rate gain of our compression algorithm, as well as the accuracy of the proposed parameter prediction model, especially for real light fields. A scalable extension of the coding scheme is finally proposed. We study the underdamped Langevin diffusion when the log of the target distribution is smooth and strongly concave. We present a MCMC algorithm based on its discretization and show that it achieves @math error (in 2-Wasserstein distance) in @math steps. This is a significant improvement over the best known rate for overdamped Langevin MCMC, which is @math steps under the same smoothness concavity assumptions. The underdamped Langevin MCMC scheme can be viewed as a version of Hamiltonian Monte Carlo (HMC) which has been observed to outperform overdamped Langevin MCMC methods in a number of application areas. We provide quantitative rates that support this empirical wisdom. We obtain several quantitative bounds on the mixing properties of the Hamiltonian Monte Carlo (HMC) algorithm for a strongly log-concave target distribution @math on @math , showing that HMC mixes quickly in this setting. One of our main results is a dimension-free bound on the mixing of an "ideal" HMC chain, which is used to show that the usual leapfrog implementation of HMC can sample from @math using only @math gradient evaluations. This dependence on dimension is sharp, and our results significantly extend and improve previous quantitative bounds on the mixing of HMC. ABSTRACTWe propose subsampling Markov chain Monte Carlo (MCMC), an MCMC framework where the likelihood function for n observations is estimated from a random subset of m observations. We introduce a highly efficient unbiased estimator of the log-likelihood based on control variates, such that the computing cost is much smaller than that of the full log-likelihood in standard MCMC. The likelihood estimate is bias-corrected and used in two dependent pseudo-marginal algorithms to sample from a perturbed posterior, for which we derive the asymptotic error with respect to n and m, respectively. We propose a practical estimator of the error and show that the error is negligible even for a very small m in our applications. We demonstrate that subsampling MCMC is substantially more efficient than standard MCMC in terms of sampling efficiency for a given computational budget, and that it outperforms other subsampling methods for MCMC proposed in the literature. Supplementary materials for this article are availabl... We consider the problem of the reconstruction of a continuous-time function f(x) spl isin H from the samples of the responses of m linear shift-invariant systems sampled at 1 m the reconstruction rate. We extend Papoulis' generalized sampling theory in two important respects. First, our class of admissible input signals (typ. H=L sub 2 ) is considerably larger than the subspace of band-limited functions. Second, we use a more general specification of the reconstruction subspace V( spl psi ), so that the output of the system can take the form of a band-limited function, a spline, or a wavelet expansion. Since we have enlarged the class of admissible input functions, we have to give up Shannon and Papoulis' principle of an exact reconstruction. Instead, we seek an approximation f spl isin V( spl psi ) that is consistent in the sense that it produces exactly the same measurements as the input of the system. This leads to a generalization of Papoulis' sampling theorem and a practical reconstruction algorithm that takes the form of a multivariate filter. In particular, we show that the corresponding system acts as a projector from H onto V( spl psi ). We then propose two complementary polyphase and modulation domain interpretations of our solution. The polyphase representation leads to a simple understanding of our reconstruction algorithm in terms of a perfect reconstruction filter bank. The modulation analysis, on the other hand, is useful in providing the connection with Papoulis' earlier results for the band-limited case. Finally, we illustrate the general applicability of our theory by presenting new examples of interlaced and derivative sampling using splines. We formulate gradient-based Markov chain Monte Carlo (MCMC) sampling as optimization on the space of probability measures, with Kullback-Leibler (KL) divergence as the objective function. We show that an underdamped form of the Langevin algorithm perform accelerated gradient descent in this metric. To characterize the convergence of the algorithm, we construct a Lyapunov functional and exploit hypocoercivity of the underdamped Langevin algorithm. As an application, we show that accelerated rates can be obtained for a class of nonconvex functions with the Langevin algorithm. We present a general-purpose method to train Markov chain Monte Carlo kernels, parameterized by deep neural networks, that converge and mix quickly to their target distribution. Our method generalizes Hamiltonian Monte Carlo and is trained to maximize expected squared jumped distance, a proxy for mixing speed. We demonstrate large empirical gains on a collection of simple but challenging distributions, for instance achieving a 106x improvement in effective sample size in one case, and mixing when standard HMC makes no measurable progress in a second. Finally, we show quantitative and qualitative gains on a real-world task: latent-variable generative modeling. Python source code will be open-sourced with the camera-ready paper. We consider the problem of improving the efficiency of randomized Fourier feature maps to accelerate training and testing speed of kernel methods on large datasets. These approximate feature maps arise as Monte Carlo approximations to integral representations of shift-invariant kernel functions (e.g., Gaussian kernel). In this paper, we propose to use Quasi-Monte Carlo (QMC) approximations instead, where the relevant integrands are evaluated on a low-discrepancy sequence of points as opposed to random point sets as in the Monte Carlo approach. We derive a new discrepancy measure called box discrepancy based on theoretical characterizations of the integration error with respect to a given sequence. We then propose to learn QMC sequences adapted to our setting based on explicit box discrepancy minimization. Our theoretical analyses are complemented with empirical results that demonstrate the effectiveness of classical and adaptive QMC techniques for this problem. Hierarchical conditional random fields have been successfully applied to object segmentation. One reason is their ability to incorporate contextual information at different scales. However, these models do not allow multiple labels to be assigned to a single node. At higher scales in the image, this yields an oversimplified model, since multiple classes can be reasonable expected to appear within one region. This simplified model especially limits the impact that observations at larger scales may have on the CRF model. Neglecting the information at larger scales is undesirable since class-label estimates based on these scales are more reliable than at smaller, noisier scales. To address this problem, we propose a new potential, called harmony potential, which can encode any possible combination of class labels. We propose an effective sampling strategy that renders tractable the underlying optimization problem. Results show that our approach obtains state-of-the-art results on two challenging datasets: Pascal VOC 2009 and MSRC-21. 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. A hierarchical Bayes Gaussian Mixture Model (HBGMM) with adaptive sparsity is proposed.We impose our hierarchical Bayes prior on the entries of precision matrices in GMM to encourage sparsity.Our adaptive sparsity can reduce the dimensionality of the parameters in GMM to be estimated.Our HBGMM method does not involve any hyperparameters to be estimated, i.e., it is hyperparameter-free. Gaussian Mixture Model (GMM) has been widely used in statistics for its great flexibility. However, parameter estimation for GMM with high dimensionality is a challenge because of the large number of parameters and the lack of observation data. In this paper, we propose an effective method named hierarchical Bayes based Adaptive Sparsity in Gaussian Mixture Model (ASGMM) to estimate the parameters in a GMM by incorporating a two-layer hierarchical Bayes based adaptive sparsity prior. The prior we impose on the precision matrices can encourage sparsity and hence reduce the dimensionality of the parameters to be estimated. In contrast to the l 1 -norm penalty or Laplace prior, our approach does not involve any hyperparameters that must be tuned, and the sparsity adapts to the observation data. The proposed method is achieved by three steps: first, we formulate an adaptive hierarchical Bayes model of the precision matrices in the GMM with a Jeffrey's noninformative hyperprior, which expresses scale-invariance and, more importantly, is hyperparameter-free and unbiased. Second, we perform a Cholesky decomposition on the precision matrices to impose the positive definite property. Finally, we exploit the expectation maximization (EM) algorithm to obtain the final estimated parameters in the GMM. Experimental results on synthetic and real-world datasets demonstrate that ASGMM cannot only adapt the sparsity of high-dimensional data with small estimated error, but also achieve better clustering performance comparing with several classical methods.