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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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. 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. The Jacobi metric introduced in mathematical physics can be used to analyze Hamiltonian Monte Carlo (HMC). In a geometrical setting, each step of HMC corresponds to a geodesic on a Riemannian manifold with a Jacobi metric. Our calculation of the sectional curvature of this HMC manifold allows us to see that it is positive in cases such as sampling from a high dimensional multivariate Gaussian. We show that positive curvature can be used to prove theoretical concentration results for HMC Markov chains. 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. 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. 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. 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 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 Bayesian learning on sensitive datasets and present two simple but somewhat surprising results that connect Bayesian learning to "differential privacy", a cryptographic approach to protect individual-level privacy while permitting database-level utility. Specifically, we show that under standard assumptions, getting one sample from a posterior distribution is differentially private "for free"; and this sample as a statistical estimator is often consistent, near optimal, and computationally tractable. Similarly but separately, we show that a recent line of work that use stochastic gradient for Hybrid Monte Carlo (HMC) sampling also preserve differentially privacy with minor or no modifications of the algorithmic procedure at all, these observations lead to an "anytime" algorithm for Bayesian learning under privacy constraint. We demonstrate that it performs much better than the state-of-the-art differential private methods on synthetic and real datasets. Large graph processing has gained great attention in recent years due to its broad applicability from machine learning to social science. Large real-world graphs, however, are inherently difficult to process efficiently, not only due to their large memory footprint, but also that most graph algorithms entail memory access patterns with poor locality and a low compute-to-memory access ratio. In this work, we leverage the exceptional random access performance of emerging Hybrid Memory Cube (HMC) technology that stacks multiple DRAM dies on top of a logic layer, combined with the flexibility and efficiency of FPGA to address these challenges. To our best knowledge, this is the first work that implements a graph processing system on a FPGA-HMC platform based on software hardware co-design and co-optimization. We first present the modifications of algorithm and a platform-aware graph processing architecture to perform level-synchronized breadth first search (BFS) on FPGA-HMC platform. To gain better insights into the potential bottlenecks of proposed implementation, we develop an analytical performance model to quantitatively evaluate the HMC access latency and corresponding BFS performance. Based on the analysis, we propose a two-level bitmap scheme to further reduce memory access and perform optimization on key design parameters (e.g. memory access granularity). Finally, we evaluate the performance of our BFS implementation using the AC-510 development kit from Micron. We achieved 166 million edges traversed per second (MTEPS) using GRAPH500 benchmark on a random graph with a scale of 25 and an edge factor of 16, which significantly outperforms CPU and other FPGA-based large graph processors. High-performance computing systems are moving towards 2.5D and 3D memory hierarchies, based on High Bandwidth Memory (HBM) and Hybrid Memory Cube (HMC) to mitigate the main memory bottlenecks. This trend is also creating new opportunities to revisit near-memory computation. In this paper, we propose a flexible processor-in-memory (PIM) solution for scalable and energy-efficient execution of deep convolutional networks (ConvNets), one of the fastest-growing workloads for servers and high-end embedded systems. Our co-design approach consists of a network of Smart Memory Cubes (modular extensions to the standard HMC) each augmented with a many-core PIM platform called NeuroCluster. NeuroClusters have a modular design based on NeuroStream coprocessors (for Convolution-intensive computations) and general-purpose RISC-V cores. In addition, a DRAM-friendly tiling mechanism and a scalable computation paradigm are presented to efficiently harness this computational capability with a very low programming effort. NeuroCluster occupies only 8 percent of the total logic-base (LoB) die area in a standard HMC and achieves an average performance of 240 GFLOPS for complete execution of full-featured state-of-the-art (SoA) ConvNets within a power budget of 2.5 W. Overall 11 W is consumed in a single SMC device, with 22.5 GFLOPS W energy-efficiency which is 3.5X better than the best GPU implementations in similar technologies. The minor increase in system-level power and the negligible area increase make our PIM system a cost-effective and energy efficient solution, easily scalable to 955 GFLOPS with a small network of just four SMCs. 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. Abstract We propose the multipoint Metropolis algorithm as an extension of the orientational-bias Monte Carlo of Frenkel and Smit. A ratio statistics similar to that in the Metropolis algorithm is introduced to maintain the detailed balance. The multipoint idea can be applied to improve the efficiency of a general Markov chain-based Monte Carlo algorithm. To illustrate, we describe two variations of the idea—the random-grid Metropolis and the multipoint Hybrid Monte Carlo—and apply them to a number of examples. 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. We prove, under two sufficient conditions, that idealised models can have no adversarial examples. We discuss which idealised models satisfy our conditions, and show that idealised Bayesian neural networks (BNNs) satisfy these. We continue by studying near-idealised BNNs using HMC inference, demonstrating the theoretical ideas in practice. We experiment with HMC on synthetic data derived from MNIST for which we know the ground-truth image density, showing that near-perfect epistemic uncertainty correlates to density under image manifold, and that adversarial images lie off the manifold in our setting. This suggests why MC dropout, which can be seen as performing approximate inference, has been observed to be an effective defence against adversarial examples in practice; We highlight failure-cases of non-idealised BNNs relying on dropout, suggesting a new attack for dropout models and a new defence as well. Lastly, we demonstrate the defence on a cats-vs-dogs image classification task with a VGG13 variant. Stochastic Gradient Descent with a constant learning rate (constant SGD) simulates a Markov chain with a stationary distribution. With this perspective, we derive several new results. (1) We show that constant SGD can be used as an approximate Bayesian posterior inference algorithm. Specifically, we show how to adjust the tuning parameters of constant SGD to best match the stationary distribution to a posterior, minimizing the Kullback-Leibler divergence between these two distributions. (2) We demonstrate that constant SGD gives rise to a new variational EM algorithm that optimizes hyperparameters in complex probabilistic models. (3) We also propose SGD with momentum for sampling and show how to adjust the damping coefficient accordingly. (4) We analyze MCMC algorithms. For Langevin Dynamics and Stochastic Gradient Fisher Scoring, we quantify the approximation errors due to finite learning rates. Finally (5), we use the stochastic process perspective to give a short proof of why Polyak averaging is optimal. Based on this idea, we propose a scalable approximate MCMC algorithm, the Averaged Stochastic Gradient Sampler. Multi-label Classification (MC) often deals with hierarchically organized class taxonomies. In contrast to Hierarchical Multilabel Classification (HMC), where the class hierarchy is assumed to be known a priori, we are interested in the opposite case where it is unknown and should be extracted from multi-label data automatically. In this case the predictive performance of a classifier can be assessed by well-known Performance Measures (PMs) used in flat MC such as precision and recall. The fact that these PMs treat all class labels as independent labels, in contrast to hierarchically structured taxonomies, is a problem. As an alternative, special hierarchical PMs can be used that utilize hierarchy knowledge and apply this knowledge to the extracted hierarchy. This type of hierarchical PM has only recently been mentioned in literature. The aim of this study is first to verify whether HMC measures do significantly improve quality assessment in this setting. In addition, we seek to find a proper measure that reflects the potential quality of extracted hierarchies in the best possible way. We empirically compare ten hierarchical and four traditional flat PMs in order to investigate relations between them. The performance measurements obtained for predictions of four multi-label classifiers ML-ARAM, ML-kNN, BoosTexter and SVM on four datasets from the text mining domain are analyzed by means of hierarchical clustering and by calculating pairwise statistical consistency and discriminancy. 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. ABSTRACTOne of the core problems of modern statistics is to approximate difficult-to-compute probability densities. This problem is especially important in Bayesian statistics, which frames all inference about unknown quantities as a calculation involving the posterior density. In this article, we review variational inference (VI), a method from machine learning that approximates probability densities through optimization. VI has been used in many applications and tends to be faster than classical methods, such as Markov chain Monte Carlo sampling. The idea behind VI is to first posit a family of densities and then to find a member of that family which is close to the target density. Closeness is measured by Kullback–Leibler divergence. We review the ideas behind mean-field variational inference, discuss the special case of VI applied to exponential family models, present a full example with a Bayesian mixture of Gaussians, and derive a variant that uses stochastic optimization to scale up to massive data... The convolutional neural networks (CNNs) have proven to be a powerful tool for discriminative learning. Recently researchers have also started to show interest in the generative aspects of CNNs in order to gain a deeper understanding of what they have learned and how to further improve them. This paper investigates generative modeling of CNNs. The main contributions include: (1) We construct a generative model for the CNN in the form of exponential tilting of a reference distribution. (2) We propose a generative gradient for pre-training CNNs by a non-parametric importance sampling scheme, which is fundamentally different from the commonly used discriminative gradient, and yet has the same computational architecture and cost as the latter. (3) We propose a generative visualization method for the CNNs by sampling from an explicit parametric image distribution. The proposed visualization method can directly draw synthetic samples for any given node in a trained CNN by the Hamiltonian Monte Carlo (HMC) algorithm, without resorting to any extra hold-out images. Experiments on the challenging ImageNet benchmark show that the proposed generative gradient pre-training consistently helps improve the performances of CNNs, and the proposed generative visualization method generates meaningful and varied samples of synthetic images from a large-scale deep CNN.