We resurrect the infamous harmonic mean estimator for computing the marginal likelihood (Bayesian evidence) and solve its problematic large variance. The marginal likelihood is a key component of Bayesian model selection since it is required to evaluate model posterior probabilities; however, its computation is challenging. The original harmonic mean estimator, first proposed in 1994 by Newton and Raftery, involves computing the harmonic mean of the likelihood given samples from the posterior. It was immediately realised that the original estimator can fail catastrophically since its variance can become very large and may not be finite. A number of variants of the harmonic mean estimator have been proposed to address this issue although none have proven fully satisfactory. We present the learnt harmonic mean estimator, a variant of the original estimator that solves its large variance problem. This is achieved by interpreting the harmonic mean estimator as importance sampling and introducing a new target distribution. The new target distribution is learned to approximate the optimal but inaccessible target, while minimising the variance of the resulting estimator. Since the estimator requires samples of the posterior only it is agnostic to the strategy used to generate posterior samples. We validate the estimator on a variety of numerical experiments, including a number of pathological examples where the original harmonic mean estimator fails catastrophically. In all cases our learnt harmonic mean estimator is shown to be highly accurate. The estimator is computationally scalable and can be applied to problems of dimension $\mathcal{O}(10^3)$ and beyond. Code implementing the learnt harmonic mean estimator is made publicly available.
It is common practice to use Laplace approximations to compute marginal likelihoods in Bayesian versions of generalised linear models (GLM). Marginal likelihoods combined with model priors are then used in different search algorithms to compute the posterior marginal probabilities of models and individual covariates. This allows performing Bayesian model selection and model averaging. For large sample sizes, even the Laplace approximation becomes computationally challenging because the optimisation routine involved needs to evaluate the likelihood on the full set of data in multiple iterations. As a consequence, the algorithm is not scalable for large datasets. To address this problem, we suggest using a version of a popular batch stochastic gradient descent (BSGD) algorithm for estimating the marginal likelihood of a GLM by subsampling from the data. We further combine the algorithm with Markov chain Monte Carlo (MCMC) based methods for Bayesian model selection and provide some theoretical results on the convergence of the estimates. Finally, we report results from experiments illustrating the performance of the proposed algorithm.
We study regression adjustments with additional covariates in randomized experiments under covariate-adaptive randomizations (CARs) when subject compliance is imperfect. We develop a regression-adjusted local average treatment effect (LATE) estimator that is proven to improve efficiency in the estimation of LATEs under CARs. Our adjustments can be parametric in linear and nonlinear forms, nonparametric, and high-dimensional. Even when the adjustments are misspecified, our proposed estimator is still consistent and asymptotically normal, and their inference method still achieves the exact asymptotic size under the null. When the adjustments are correctly specified, our estimator achieves the minimum asymptotic variance. When the adjustments are parametrically misspecified, we construct a new estimator which is weakly more efficient than linearly and nonlinearly adjusted estimators, as well as the one without any adjustments. Simulation evidence and empirical application confirm efficiency gains achieved by regression adjustments relative to both the estimator without adjustment and the standard two-stage least squares estimator.
Second-order optimization methods are among the most widely used optimization approaches for convex optimization problems, and have recently been used to optimize non-convex optimization problems such as deep learning models. The widely used second-order optimization methods such as quasi-Newton methods generally provide curvature information by approximating the Hessian using the secant equation. However, the secant equation becomes insipid in approximating the Newton step owing to its use of the first-order derivatives. In this study, we propose an approximate Newton sketch-based stochastic optimization algorithm for large-scale empirical risk minimization. Specifically, we compute a partial column Hessian of size ($d\times m$) with $m\ll d$ randomly selected variables, then use the \emph{Nystr\"om method} to better approximate the full Hessian matrix. To further reduce the computational complexity per iteration, we directly compute the update step ($\Delta\boldsymbol{w}$) without computing and storing the full Hessian or its inverse. We then integrate our approximated Hessian with stochastic gradient descent and stochastic variance-reduced gradient methods. The results of numerical experiments on both convex and non-convex functions show that the proposed approach was able to obtain a better approximation of Newton\textquotesingle s method, exhibiting performance competitive with that of state-of-the-art first-order and stochastic quasi-Newton methods. Furthermore, we provide a theoretical convergence analysis for convex functions.
Distributed Mean Estimation (DME) is a central building block in federated learning, where clients send local gradients to a parameter server for averaging and updating the model. Due to communication constraints, clients often use lossy compression techniques to compress the gradients, resulting in estimation inaccuracies. DME is more challenging when clients have diverse network conditions, such as constrained communication budgets and packet losses. In such settings, DME techniques often incur a significant increase in the estimation error leading to degraded learning performance. In this work, we propose a robust DME technique named EDEN that naturally handles heterogeneous communication budgets and packet losses. We derive appealing theoretical guarantees for EDEN and evaluate it empirically. Our results demonstrate that EDEN consistently improves over state-of-the-art DME techniques.
We propose a dimension reduction technique for Bayesian inverse problems with nonlinear forward operators, non-Gaussian priors, and non-Gaussian observation noise. The likelihood function is approximated by a ridge function, i.e., a map which depends non-trivially only on a few linear combinations of the parameters. We build this ridge approximation by minimizing an upper bound on the Kullback--Leibler divergence between the posterior distribution and its approximation. This bound, obtained via logarithmic Sobolev inequalities, allows one to certify the error of the posterior approximation. Computing the bound requires computing the second moment matrix of the gradient of the log-likelihood function. In practice, a sample-based approximation of the upper bound is then required. We provide an analysis that enables control of the posterior approximation error due to this sampling. Numerical and theoretical comparisons with existing methods illustrate the benefits of the proposed methodology.
Parareal is a well-studied algorithm for numerically integrating systems of time-dependent differential equations by parallelising the temporal domain. Given approximate initial values at each temporal sub-interval, the algorithm locates a solution in a fixed number of iterations using a predictor-corrector, stopping once a tolerance is met. This iterative process combines solutions located by inexpensive (coarse resolution) and expensive (fine resolution) numerical integrators. In this paper, we introduce a stochastic parareal algorithm aimed at accelerating the convergence of the deterministic parareal algorithm. Instead of providing the predictor-corrector with a deterministically located set of initial values, the stochastic algorithm samples initial values from dynamically varying probability distributions in each temporal sub-interval. All samples are then propagated in parallel using the expensive integrator. The set of sampled initial values yielding the most continuous (smoothest) trajectory across consecutive sub-intervals are fed into the predictor-corrector, converging in fewer iterations than the deterministic algorithm with a given probability. The performance of the stochastic algorithm, implemented using various probability distributions, is illustrated on low-dimensional systems of ordinary differential equations (ODEs). We provide numerical evidence that when the number of sampled initial values is large enough, stochastic parareal converges almost certainly in fewer iterations than the deterministic algorithm, maintaining solution accuracy. Given its stochastic nature, we also highlight that multiple simulations of stochastic parareal return a distribution of solutions that can represent a measure of uncertainty over the ODE solution.
Though platform trials have been touted for their flexibility and streamlined use of trial resources, their statistical efficiency is not well understood. We fill this gap by establishing their greater efficiency for comparing the relative efficacy of multiple interventions over using several separate, two-arm trials, where the relative efficacy of an arbitrary pair of interventions is evaluated by contrasting their relative risks as compared to control. In theoretical and numerical studies, we demonstrate that the inference of such a contrast using data from a platform trial enjoys identical or better precision than using data from separate trials, even when the former enrolls substantially fewer participants. This benefit is attributed to the sharing of controls among interventions under contemporaneous randomization, which is a key feature of platform trials. We further provide a novel procedure for establishing the non-inferiority of a given intervention relative to the most efficacious of the other interventions under evaluation, where this procedure is adaptive in the sense that it need not be \textit{a priori} known which of these other interventions is most efficacious. Our numerical studies show that this testing procedure can attain substantially better power when the data arise from a platform trial rather than multiple separate trials. Our results are illustrated using data from two monoclonal antibody trials for the prevention of HIV.
The Evidential regression network (ENet) estimates a continuous target and its predictive uncertainty without costly Bayesian model averaging. However, it is possible that the target is inaccurately predicted due to the gradient shrinkage problem of the original loss function of the ENet, the negative log marginal likelihood (NLL) loss. In this paper, the objective is to improve the prediction accuracy of the ENet while maintaining its efficient uncertainty estimation by resolving the gradient shrinkage problem. A multi-task learning (MTL) framework, referred to as MT-ENet, is proposed to accomplish this aim. In the MTL, we define the Lipschitz modified mean squared error (MSE) loss function as another loss and add it to the existing NLL loss. The Lipschitz modified MSE loss is designed to mitigate the gradient conflict with the NLL loss by dynamically adjusting its Lipschitz constant. By doing so, the Lipschitz MSE loss does not disturb the uncertainty estimation of the NLL loss. The MT-ENet enhances the predictive accuracy of the ENet without losing uncertainty estimation capability on the synthetic dataset and real-world benchmarks, including drug-target affinity (DTA) regression. Furthermore, the MT-ENet shows remarkable calibration and out-of-distribution detection capability on the DTA benchmarks.
Stochastic gradient Markov chain Monte Carlo (SGMCMC) has become a popular method for scalable Bayesian inference. These methods are based on sampling a discrete-time approximation to a continuous time process, such as the Langevin diffusion. When applied to distributions defined on a constrained space, such as the simplex, the time-discretisation error can dominate when we are near the boundary of the space. We demonstrate that while current SGMCMC methods for the simplex perform well in certain cases, they struggle with sparse simplex spaces; when many of the components are close to zero. However, most popular large-scale applications of Bayesian inference on simplex spaces, such as network or topic models, are sparse. We argue that this poor performance is due to the biases of SGMCMC caused by the discretization error. To get around this, we propose the stochastic CIR process, which removes all discretization error and we prove that samples from the stochastic CIR process are asymptotically unbiased. Use of the stochastic CIR process within a SGMCMC algorithm is shown to give substantially better performance for a topic model and a Dirichlet process mixture model than existing SGMCMC approaches.
From only positive (P) and unlabeled (U) data, a binary classifier could be trained with PU learning, in which the state of the art is unbiased PU learning. However, if its model is very flexible, empirical risks on training data will go negative, and we will suffer from serious overfitting. In this paper, we propose a non-negative risk estimator for PU learning: when getting minimized, it is more robust against overfitting, and thus we are able to use very flexible models (such as deep neural networks) given limited P data. Moreover, we analyze the bias, consistency, and mean-squared-error reduction of the proposed risk estimator, and bound the estimation error of the resulting empirical risk minimizer. Experiments demonstrate that our risk estimator fixes the overfitting problem of its unbiased counterparts.