Bayesian coresets have emerged as a promising approach for implementing scalable Bayesian inference. The Bayesian coreset problem involves selecting a (weighted) subset of the data samples, such that the posterior inference using the selected subset closely approximates the posterior inference using the full dataset. This manuscript revisits Bayesian coresets through the lens of sparsity constrained optimization. Leveraging recent advances in accelerated optimization methods, we propose and analyze a novel algorithm for coreset selection. We provide explicit convergence rate guarantees and present an empirical evaluation on a variety of benchmark datasets to highlight our proposed algorithm's superior performance compared to state-of-the-art on speed and accuracy.
Learning data representations that capture task-related features, but are invariant to nuisance variations remains a key challenge in machine learning. We introduce an automated Bayesian inference framework, called AutoBayes, that explores different graphical models linking classifier, encoder, decoder, estimator and adversarial network blocks to optimize nuisance-invariant machine learning pipelines. AutoBayes also enables learning disentangled representations, where the latent variable is split into multiple pieces to impose various relationships with the nuisance variation and task labels. We benchmark the framework on several public datasets, and provide analysis of its capability for subject-transfer learning with/without variational modeling and adversarial training. We demonstrate a significant performance improvement with ensemble learning across explored graphical models.
Stochastic gradient Langevin dynamics (SGLD) and stochastic gradient Hamiltonian Monte Carlo (SGHMC) are two popular Markov Chain Monte Carlo (MCMC) algorithms for Bayesian inference that can scale to large datasets, allowing to sample from the posterior distribution of the parameters of a statistical model given the input data and the prior distribution over the model parameters. However, these algorithms do not apply to the decentralized learning setting, when a network of agents are working collaboratively to learn the parameters of a statistical model without sharing their individual data due to privacy reasons or communication constraints. We study two algorithms: Decentralized SGLD (DE-SGLD) and Decentralized SGHMC (DE-SGHMC) which are adaptations of SGLD and SGHMC methods that allow scaleable Bayesian inference in the decentralized setting for large datasets. We show that when the posterior distribution is strongly log-concave and smooth, the iterates of these algorithms converge linearly to a neighborhood of the target distribution in the 2-Wasserstein distance if their parameters are selected appropriately. We illustrate the efficiency of our algorithms on decentralized Bayesian linear regression and Bayesian logistic regression problems.
Modern neural networks have proven to be powerful function approximators, providing state-of-the-art performance in a multitude of applications. They however fall short in their ability to quantify confidence in their predictions - this is crucial in high-stakes applications that involve critical decision-making. Bayesian neural networks (BNNs) aim at solving this problem by placing a prior distribution over the network's parameters, thereby inducing a posterior distribution that encapsulates predictive uncertainty. While existing variants of BNNs based on Monte Carlo dropout produce reliable (albeit approximate) uncertainty estimates over in-distribution data, they tend to exhibit over-confidence in predictions made on target data whose feature distribution differs from the training data, i.e., the covariate shift setup. In this paper, we develop an approximate Bayesian inference scheme based on posterior regularisation, wherein unlabelled target data are used as "pseudo-labels" of model confidence that are used to regularise the model's loss on labelled source data. We show that this approach significantly improves the accuracy of uncertainty quantification on covariate-shifted data sets, with minimal modification to the underlying model architecture. We demonstrate the utility of our method in the context of transferring prognostic models of prostate cancer across globally diverse populations.
The time evolution of dynamical systems is frequently described by ordinary differential equations (ODEs), which must be solved for given initial conditions. Most standard approaches numerically integrate ODEs producing a single solution whose values are computed at discrete times. When many varied solutions with different initial conditions to the ODE are required, the computational cost can become significant. We propose that a neural network be used as a solution bundle, a collection of solutions to an ODE for various initial states and system parameters. The neural network solution bundle is trained with an unsupervised loss that does not require any prior knowledge of the sought solutions, and the resulting object is differentiable in initial conditions and system parameters. The solution bundle exhibits fast, parallelizable evaluation of the system state, facilitating the use of Bayesian inference for parameter estimation in real dynamical systems.
We study multi-marginal optimal transport problems from a probabilistic graphical model perspective. We point out an elegant connection between the two when the underlying cost for optimal transport allows a graph structure. In particular, an entropy regularized multi-marginal optimal transport is equivalent to a Bayesian marginal inference problem for probabilistic graphical models with the additional requirement that some of the marginal distributions are specified. This relation on the one hand extends the optimal transport as well as the probabilistic graphical model theories, and on the other hand leads to fast algorithms for multi-marginal optimal transport by leveraging the well-developed algorithms in Bayesian inference. Several numerical examples are provided to highlight the results.
This article reviews how organisms learn and recognize the world through the dynamics of neural networks from the perspective of Bayesian inference, and introduces a view on how such dynamics is described by the laws for the entropy of neural activity, a paradigm that we call thermodynamics of the Bayesian brain. The Bayesian brain hypothesis sees the stimulus-evoked activity of neurons as an act of constructing the Bayesian posterior distribution based on the generative model of the external world that an organism possesses. A closer look at the stimulus-evoked activity at early sensory cortices reveals that feedforward connections initially mediate the stimulus-response, which is later modulated by input from recurrent connections. Importantly, not the initial response, but the delayed modulation expresses animals' cognitive states such as awareness and attention regarding the stimulus. Using a simple generative model made of a spiking neural population, we reproduce the stimulus-evoked dynamics with the delayed feedback modulation as the process of the Bayesian inference that integrates the stimulus evidence and a prior knowledge with time-delay. We then introduce a thermodynamic view on this process based on the laws for the entropy of neural activity. This view elucidates that the process of the Bayesian inference works as the recently-proposed information-theoretic engine (neural engine, an analogue of a heat engine in thermodynamics), which allows us to quantify the perceptual capacity expressed in the delayed modulation in terms of entropy.
The model uncertainty obtained by variational Bayesian inference with Monte Carlo dropout is prone to miscalibration. In this paper, different logit scaling methods are extended to dropout variational inference to recalibrate model uncertainty. Expected uncertainty calibration error (UCE) is presented as a metric to measure miscalibration. The effectiveness of recalibration is evaluated on CIFAR-10/100 and SVHN for recent CNN architectures. Experimental results show that logit scaling considerably reduce miscalibration by means of UCE. Well-calibrated uncertainty enables reliable rejection of uncertain predictions and robust detection of out-of-distribution data.
Basal motion is the primary mechanism for ice flux outside Antarctica, yet a widely applicable model for predicting it in the absence of retrospective observations remains elusive. This is due to the difficulty in both observing small-scale bed properties and predicting a time-varying water pressure on which basal motion putatively depends. We take a Bayesian approach to these problems by coupling models of ice dynamics and subglacial hydrology and conditioning on observations of surface velocity in southwestern Greenland to infer the posterior probability distributions for eight spatially and temporally constant parameters governing the behavior of both the sliding law and hydrologic model. Because the model is computationally expensive, classical MCMC sampling is intractable. We skirt this issue by training a neural network as a surrogate that approximates the model at a sliver of the computational cost. We find that surface velocity observations establish strong constraints on model parameters relative to a prior distribution and also elucidate correlations, while the model explains 60% of observed variance. However, we also find that several distinct configurations of the hydrologic system and stress regime are consistent with observations, underscoring the need for continued data collection and model development.
When working with multimodal Bayesian posterior distributions, Markov chain Monte Carlo (MCMC) algorithms have difficulty moving between modes, and default variational or mode-based approximate inferences will understate posterior uncertainty. And, even if the most important modes can be found, it is difficult to evaluate their relative weights in the posterior. Here we propose an approach using parallel runs of MCMC, variational, or mode-based inference to hit as many modes or separated regions as possible and then combine these using Bayesian stacking, a scalable method for constructing a weighted average of distributions. The result from stacking efficiently samples from multimodal posterior distribution, minimizes cross validation prediction error, and represents the posterior uncertainty better than variational inference, but it is not necessarily equivalent, even asymptotically, to fully Bayesian inference. We present theoretical consistency with an example where the stacked inference approximates the true data generating process from the misspecified model and a non-mixing sampler, from which the predictive performance is better than full Bayesian inference, hence the multimodality can be considered a blessing rather than a curse under model misspecification. We demonstrate practical implementation in several model families: latent Dirichlet allocation, Gaussian process regression, hierarchical regression, horseshoe variable selection, and neural networks.
A popular theory of perceptual processing holds that the brain learns both a generative model of the world and a paired recognition model using variational Bayesian inference. Most hypotheses of how the brain might learn these models assume that neurons in a population are conditionally independent given their common inputs. This simplification is likely not compatible with the type of local recurrence observed in the brain. Seeking an alternative that is compatible with complex inter-dependencies yet consistent with known biology, we argue here that the cortex may learn with an adversarial algorithm. Many observable symptoms of this approach would resemble known neural phenomena, including wake/sleep cycles and oscillations that vary in magnitude with surprise, and we describe how further predictions could be tested. We illustrate the idea on recurrent neural networks trained to model image and video datasets. This framework for learning brings variational inference closer to neuroscience and yields multiple testable hypotheses.
We solve the problem of 6-DoF localisation and 3D dense reconstruction in spatial environments as approximate Bayesian inference in a deep state-space model. Our approach leverages both learning and domain knowledge from multiple-view geometry and rigid-body dynamics. This results in an expressive predictive model of the world, often missing in current state-of-the-art visual SLAM solutions. The combination of variational inference, neural networks and a differentiable raycaster ensures that our model is amenable to end-to-end gradient-based optimisation. We evaluate our approach on realistic unmanned aerial vehicle flight data, nearing the performance of state-of-the-art visual-inertial odometry systems. We demonstrate the applicability of the model to generative prediction and planning.
To build a flexible and interpretable model for document analysis, we develop deep autoencoding topic model (DATM) that uses a hierarchy of gamma distributions to construct its multi-stochastic-layer generative network. In order to provide scalable posterior inference for the parameters of the generative network, we develop topic-layer-adaptive stochastic gradient Riemannian MCMC that jointly learns simplex-constrained global parameters across all layers and topics, with topic and layer specific learning rates. Given a posterior sample of the global parameters, in order to efficiently infer the local latent representations of a document under DATM across all stochastic layers, we propose a Weibull upward-downward variational encoder that deterministically propagates information upward via a deep neural network, followed by a Weibull distribution based stochastic downward generative model. To jointly model documents and their associated labels, we further propose supervised DATM that enhances the discriminative power of its latent representations. The efficacy and scalability of our models are demonstrated on both unsupervised and supervised learning tasks on big corpora.
Variational Bayesian Monte Carlo (VBMC) is a recently introduced framework that uses Gaussian process surrogates to perform approximate Bayesian inference in models with black-box, non-cheap likelihoods. In this work, we extend VBMC to deal with noisy log-likelihood evaluations, such as those arising from simulation-based models. We introduce new `global' acquisition functions, such as expected information gain (EIG) and variational interquantile range (VIQR), which are robust to noise and can be efficiently evaluated within the VBMC setting. In a novel, challenging, noisy-inference benchmark comprising of a variety of models with real datasets from computational and cognitive neuroscience, VBMC+VIQR achieves state-of-the-art performance in recovering the ground-truth posteriors and model evidence. In particular, our method vastly outperforms `local' acquisition functions and other surrogate-based inference methods while keeping a small algorithmic cost. Our benchmark corroborates VBMC as a general-purpose technique for sample-efficient black-box Bayesian inference also with noisy models.
Control variates are a well-established tool to reduce the variance of Monte Carlo estimators. However, for large-scale problems including high-dimensional and large-sample settings, their advantages can be outweighed by a substantial computational cost. This paper considers control variates based on Stein operators, presenting a framework that encompasses and generalizes existing approaches that use polynomials, kernels and neural networks. A learning strategy based on minimising a variational objective through stochastic optimization is proposed, leading to scalable and effective control variates. Novel theoretical results are presented to provide insight into the variance reduction that can be achieved, and an empirical assessment, including applications to Bayesian inference, is provided in support.
Latent position network models are a versatile tool in network science; applications include clustering entities, controlling for causal confounders, and defining priors over unobserved graphs. Estimating each node's latent position is typically framed as a Bayesian inference problem, with Metropolis within Gibbs being the most popular tool for approximating the posterior distribution. However, it is well-known that Metropolis within Gibbs is inefficient for large networks; the acceptance ratios are expensive to compute, and the resultant posterior draws are highly correlated. In this article, we propose an alternative Markov chain Monte Carlo strategy -- defined using a combination of split Hamiltonian Monte Carlo and Firefly Monte Carlo -- that leverages the posterior distribution's functional form for more efficient posterior computation. We demonstrate that these strategies outperform Metropolis within Gibbs and other algorithms on synthetic networks, as well as on real information-sharing networks of teachers and staff in a school district.
People routinely infer the goals of others by observing their actions over time. Remarkably, we can do so even when those actions lead to failure, enabling us to assist others when we detect that they might not achieve their goals. How might we endow machines with similar capabilities? Here we present an architecture capable of inferring an agent's goals online from both optimal and non-optimal sequences of actions. Our architecture models agents as boundedly-rational planners that interleave search with execution by replanning, thereby accounting for sub-optimal behavior. These models are specified as probabilistic programs, allowing us to represent and perform efficient Bayesian inference over an agent's goals and internal planning processes. To perform such inference, we develop Sequential Inverse Plan Search (SIPS), a sequential Monte Carlo algorithm that exploits the online replanning assumption of these models, limiting computation by incrementally extending inferred plans as new actions are observed. We present experiments showing that this modeling and inference architecture outperforms Bayesian inverse reinforcement learning baselines, accurately inferring goals from both optimal and non-optimal trajectories involving failure and back-tracking, while generalizing across domains with compositional structure and sparse rewards.
A spectral mixture (SM) kernel is a flexible kernel used to model any stationary covariance function. Although it is useful in modeling data, the learning of the SM kernel is generally difficult because optimizing a large number of parameters for the SM kernel typically induces an over-fitting, particularly when a gradient-based optimization is used. Also, a longer training time is required. To improve the training, we propose an approximate Bayesian inference for the SM kernel. Specifically, we employ the variational distribution of the spectral points to approximate SM kernel with a random Fourier feature. We optimize the variational parameters by applying a sampling-based variational inference to the derived evidence lower bound (ELBO) estimator constructed from the approximate kernel. To improve the inference, we further propose two additional strategies: (1) a sampling strategy of spectral points to estimate the ELBO estimator reliably and thus its associated gradient, and (2) an approximate natural gradient to accelerate the convergence of the parameters. The proposed inference combined with two strategies accelerates the convergence of the parameters and leads to better optimal parameters.
Small disturbances can trigger functional breakdowns in complex systems. A challenging task is to infer the structural cause of a disturbance in a networked system, soon enough to prevent a catastrophe. We present a graph neural network approach, borrowed from the deep learning paradigm, to infer structural perturbations from functional time series. We show our data-driven approach outperforms typical reconstruction methods while meeting the accuracy of Bayesian inference. We validate the versatility and performance of our approach with epidemic spreading, population dynamics, and neural dynamics, on various network structures: random networks, scale-free networks, 25 real food-web systems, and the C. Elegans connectome. Moreover, we report that our approach is robust to data corruption. This work uncovers a practical avenue to study the resilience of real-world complex systems.
Principal Component Analysis (PCA) minimizes the reconstruction error given a class of linear models of fixed component dimensionality. Probabilistic PCA adds a probabilistic structure by learning the probability distribution of the PCA latent space weights, thus creating a generative model. Autoencoders (AE) minimize the reconstruction error in a class of nonlinear models of fixed latent space dimensionality and outperform PCA at fixed dimensionality. Here, we introduce the Probabilistic Autoencoder (PAE) that learns the probability distribution of the AE latent space weights using a normalizing flow (NF). The PAE is fast and easy to train and achieves small reconstruction errors, high sample quality, and good performance in downstream tasks. We compare the PAE to Variational AE (VAE), showing that the PAE trains faster, reaches a lower reconstruction error, and produces good sample quality without requiring special tuning parameters or training procedures. We further demonstrate that the PAE is a powerful model for performing the downstream tasks of probabilistic image reconstruction in the context of Bayesian inference of inverse problems for inpainting and denoising applications. Finally, we identify latent space density from NF as a promising outlier detection metric.