We consider the problem of approximating the product of $n$ expectations with respect to a common probability distribution $μ$. Such products routinely arise in statistics as values of the likelihood in latent variable models. Motivated by pseudo-marginal Markov chain Monte Carlo schemes, we focus on unbiased estimators of such products. The standard approach is to sample $N$ particles from $μ$ and assign each particle to one of the expectations. This is wasteful and typically requires the number of particles to grow quadratically with the number of expectations. We propose an alternative estimator that approximates each expectation using most of the particles while preserving unbiasedness. We carefully study its properties, showing that in latent variable contexts the proposed estimator needs only $\mathcal{O}(n)$ particles to match the performance of the standard approach with $\mathcal{O}(n^{2})$ particles. We demonstrate the procedure on two latent variable examples from approximate Bayesian computation and single-cell gene expression analysis, observing computational gains of the order of the number of expectations, i.e. data points, $n$.
Constructing unbiased estimators from Markov chain Monte Carlo (MCMC) outputs is a difficult problem that has recently received a lot of attention in the statistics and machine learning communities. However, the current unbiased MCMC framework only works when the quantity of interest is an expectation, which excludes many practical applications. In this paper, we propose a general method for constructing unbiased estimators for functions of expectations and extend it to construct unbiased estimators for nested expectations. Our approach combines and generalizes the unbiased MCMC and Multilevel…
Computing the variance of a conditional expectation has often been of importance in uncertainty quantification. Sun et al. has introduced an unbiased nested Monte Carlo estimator, which they call $1\frac{1}{2}$-level simulation since the optimal inner-level sample size is bounded as the computational budget increases. In this letter we construct unbiased non-nested Monte Carlo estimators based on the so-called pick-freeze scheme due to Sobol'. An extension of our approach to compute higher order moments of a conditional expectation is also discussed.
We introduce a new class of Monte Carlo methods, which we call exact estimation algorithms. Such algorithms provide unbiased estimators for equilibrium expectations associated with real- valued functionals defined on a Markov chain. We provide easily implemented algorithms for the class of positive Harris recurrent Markov chains, and for chains that are contracting on average. We further argue that exact estimation in the Markov chain setting provides a significant theoretical relaxation relative to exact simulation methods.
In this article, we consider computing expectations w.r.t. probability measures which are subject to discretization error. Examples include partially observed diffusion processes or inverse problems, where one may have to discretize time and/or space, in order to practically work with the probability of interest. Given access only to these discretizations, we consider the construction of unbiased Monte Carlo estimators of expectations w.r.t. such target probability distributions. It is shown how to obtain such estimators using a novel adaptation of randomization schemes and Markov simulation m…
We introduce a new class of Monte Carlo based approximations of expectations of random variables such that their laws are only available via certain discretizations. Sampling from the discretized versions of these laws can typically introduce a bias. In this paper, we show how to remove that bias, by introducing a new version of multi-index Monte Carlo (MIMC) that has the added advantage of reducing the computational effort, relative to i.i.d. sampling from the most precise discretization, for a given level of error. We cover extensions of results regarding variance and optimality criteria for…
We consider the approximation of expectations with respect to the distribution of a latent Markov process given noisy measurements. This is known as the smoothing problem and is often approached with particle and Markov chain Monte Carlo (MCMC) methods. These methods provide consistent but biased estimators when run for a finite time. We propose a simple way of coupling two MCMC chains built using Particle Independent Metropolis-Hastings (PIMH) to produce unbiased smoothing estimators. Unbiased estimators are appealing in the context of parallel computing, and facilitate the construction of co…
A natural Monte Carlo method to approximate conditional expectations in a probabilistic framework is justified by a general result inspired on the Besicovitch covering theorem on differentiation of measures. The method is specially useful when densities are not available or are not easy to compute. The method is illustrated by means of some examples and can also be used in a statistical setting to approximate the conditional expectation given a sufficient statistic, for instance. In fact, it is applied to evaluate the minimum risk equivariant estimator (MRE) of the location parameter of a gene…
We consider the problem of estimating a parameter associated to a Bayesian inverse problem. Treating the unknown initial condition as a nuisance parameter, typically one must resort to a numerical approximation of gradient of the log-likelihood and also adopt a discretization of the problem in space and/or time. We develop a new methodology to unbiasedly estimate the gradient of the log-likelihood with respect to the unknown parameter, i.e. the expectation of the estimate has no discretization bias. Such a property is not only useful for estimation in terms of the original stochastic model of …
We develop new unbiased estimators of a number of quantities defined for functions of conditional moments, like conditional expectations and variances, of functions of two independent random variables given the first variable, including certain outputs of stochastic models given the models parameters. These quantities include variance-based sensitivity indices, mean squared error of approximation with functions of the first variable, orthogonal projection coefficients, and newly defined nonlinearity coefficients. We define the above estimators and analyze their performance in Monte Carlo proce…
We present a new unbiased algorithm that estimates the expected value of f(U) via Monte Carlo simulation, where U is a vector of d independent random variables, and f is a function of d variables. We assume that f does not depend equally on all its arguments. Under certain conditions we prove that, for the same computational cost, the variance of our estimator is lower than the variance of the standard Monte Carlo estimator by a factor of order d. Our method can be used to obtain a low-variance unbiased estimator for the expectation of a function of the state of a Markov chain at a given time-…
Inspired from quantum Monte Carlo, by using unbiased estimators all the time and sampling discrete and continuous variables at the same time using Metropolis algorithm, we present a novel, fast, and accurate high performance Monte Carlo Parametric Expectation Maximization (MCPEM) algorithm. We named it Randomized Parametric Expectation Maximization (RPEM). In particular, we compared RPEM with Monolix's SAEM and Certara's QRPEM for a realistic two-compartment Voriconazole model with ordinary differential equations (ODEs) and using simulated data. We show that RPEM is 3 to 4 times faster than SA…
In this analytical study we derive the optimal unbiased value estimator (MVU) and compare its statistical risk to three well known value estimators: Temporal Difference learning (TD), Monte Carlo estimation (MC) and Least-Squares Temporal Difference Learning (LSTD). We demonstrate that LSTD is equivalent to the MVU if the Markov Reward Process (MRP) is acyclic and show that both differ for most cyclic MRPs as LSTD is then typically biased. More generally, we show that estimators that fulfill the Bellman equation can only be unbiased for special cyclic MRPs. The main reason being the probabilit…
Within many machine learning algorithms, a fundamental problem concerns efficient calculation of an unbiased gradient wrt parameters $\gammav$ for expectation-based objectives $\Ebb_{q_{\gammav} (\yv)} [f(\yv)]$. Most existing methods either (i) suffer from high variance, seeking help from (often) complicated variance-reduction techniques; or (ii) they only apply to reparameterizable continuous random variables and employ a reparameterization trick. To address these limitations, we propose a General and One-sample (GO) gradient that (i) applies to many distributions associated with non-reparam…
This work addresses the problem of estimating the parameters of the general half-normal distribution. Namely, the problem of determining the minimum risk equi\-va\-riant (MRE) estimators of the parameters is explored. Simulation studies are realized to compare the behavior of these estimators with maximum likelihood and unbiased estimators. A natural Monte Carlo method to compute conditional expectations is used to approximate the MRE estimation of the location parameter because its expression involves two conditional expectations not easily computables. The used Monte Carlo method is justifie…
This paper addresses the issue of estimating the expectation of a real-valued random variable of the form $X = g(\mathbf{U})$ where $g$ is a deterministic function and $\mathbf{U}$ can be a random finite- or infinite-dimensional vector. Using recent results on rare event simulation, we propose a unified framework for dealing with both probability and mean estimation for such random variables, \emph{i.e.} linking algorithms such as Tootsie Pop Algorithm (TPA) or Last Particle Algorithm with nested sampling. Especially, it extends nested sampling as follows: first the random variable $X$ does no…
Some classical uncertainty quantification problems require the estimation of multiple expectations. Estimating all of them accurately is crucial and can have a major impact on the analysis to perform, and standard existing Monte Carlo methods can be costly to do so. We propose here a new procedure based on importance sampling and control variates for estimating more efficiently multiple expectations with the same sample. We first show that there exists a family of optimal estimators combining both importance sampling and control variates, which however cannot be used in practice because they r…
Dongguk University（东国大学）；King’s College London（伦敦国王学院）
Spiking Neural Networks (SNNs) offer a novel computational paradigm that captures some of the efficiency of biological brains by processing through binary neural dynamic activations. Probabilistic SNN models are typically trained to maximize the likelihood of the desired outputs by using unbiased estimates of the log-likelihood gradients. While prior work used single-sample estimators obtained from a single run of the network, this paper proposes to leverage multiple compartments that sample independent spiking signals while sharing synaptic weights. The key idea is to use these signals to obt…
We consider the problem of statistical inference for a class of partially-observed diffusion processes, with discretely-observed data and finite-dimensional parameters. We construct unbiased estimators of the score function, i.e. the gradient of the log-likelihood function with respect to parameters, with no time-discretization bias. These estimators can be straightforwardly employed within stochastic gradient methods to perform maximum likelihood estimation or Bayesian inference. As our proposed methodology only requires access to a time-discretization scheme such as the Euler-Maruyama method…
We study the problem of unbiased estimation of expectations with respect to (w.r.t.) $π$ a given, general probability measure on $(\mathbb{R}^d,\mathcal{B}(\mathbb{R}^d))$ that is absolutely continuous with respect to a standard Gaussian measure. We focus on simulation associated to a particular class of diffusion processes, sometimes termed the Schrödinger-Föllmer Sampler, which is a simulation technique that approximates the law of a particular diffusion bridge process $\{X_t\}_{t\in [0,1]}$ on $\mathbb{R}^d$, $d\in \mathbb{N}_0$. This latter process is constructed such that, starting at $X_…
We introduce two equations expressing the inverse determinant of a full rank matrix $\mathbf{A} \in \mathbb{R}^{n \times n}$ in terms of expectations over matrix-vector products. The first relationship is $|\mathrm{det} (\mathbf{A})|^{-1} = \mathbb{E}_{\mathbf{s} \sim \mathcal{S}^{n-1}}\bigl[\, \Vert \mathbf{As}\Vert^{-n} \bigr]$, where expectations are over vectors drawn uniformly on the surface of an $n$-dimensional radius one hypersphere. The second relationship is $|\mathrm{det}(\mathbf{A})|^{-1} = \mathbb{E}_{\mathbf{x} \sim q}[\,p(\mathbf{Ax}) /\, q(\mathbf{x})]$, where $p$ and $q$ are s…
kStatistics is a package in R that serves as a unified framework for estimating univariate and multivariate cumulants as well as products of univariate and multivariate cumulants of a random sample, using unbiased estimators with minimum variance. The main computational machinery of kStatistics is an algorithm for computing multi-index partitions. The same algorithm underlies the general-purpose multivariate Faà di Bruno's formula, which has been therefore included in the last release of the package. This formula gives the coefficients of formal power series compositions as well as the partial…
Posterior distributions often feature intractable normalizing constants, called marginal likelihoods or evidence, that are useful for model comparison via Bayes factors. This has motivated a number of methods for estimating ratios of normalizing constants in statistics. In computational physics the logarithm of these ratios correspond to free energy differences. Combining unbiased Markov chain Monte Carlo estimators with path sampling, also called thermodynamic integration, we propose new unbiased estimators of the logarithm of ratios of normalizing constants. As a by-product, we propose unbia…
To address the challenge of backpropagating the gradient through categorical variables, we propose the augment-REINFORCE-swap-merge (ARSM) gradient estimator that is unbiased and has low variance. ARSM first uses variable augmentation, REINFORCE, and Rao-Blackwellization to re-express the gradient as an expectation under the Dirichlet distribution, then uses variable swapping to construct differently expressed but equivalent expectations, and finally shares common random numbers between these expectations to achieve significant variance reduction. Experimental results show ARSM closely resembl…
