In many areas of science, complex phenomena are modeled by stochastic parametric simulators, often featuring high-dimensional parameter spaces and intractable likelihoods. In this context, performing Bayesian inference can be challenging. In this work, we present a novel method that enables amortized inference over arbitrary subsets of the parameters, without resorting to numerical integration, which makes interpretation of the posterior more convenient. Our method is efficient and can be implemented with arbitrary neural network architectures. We demonstrate the applicability of the method on parameter inference of binary black hole systems from gravitational waves observations.
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Machine learning (ML) models need to be frequently retrained on changing datasets in a wide variety of application scenarios, including data valuation and uncertainty quantification. To efficiently retrain the model, linear approximation methods such as influence function have been proposed to estimate the impact of data changes on model parameters. However, these methods become inaccurate for large dataset changes. In this work, we focus on convex learning problems and propose a general framework to learn to estimate optimized model parameters for different training sets using neural networks. We propose to enforce the predicted model parameters to obey optimality conditions and maintain utility through regularization techniques, which significantly improve generalization. Moreover, we rigorously characterize the expressive power of neural networks to approximate the optimizer of convex problems. Empirical results demonstrate the advantage of the proposed method in accurate and efficient model parameter estimation compared to the state-of-the-art.
We propose a topology optimisation of acoustic devices that work in a certain bandwidth. To achieve this, we define the objective function as the frequency-averaged sound intensity at given observation points, which is represented by a frequency integral over a given frequency band. It is, however, prohibitively expensive to evaluate such an integral naively by a quadrature. We thus estimate the frequency response by the Pad\'{e} approximation and integrate the approximated function to obtain the objective function. The corresponding topological derivative is derived with the help of the adjoint variable method and chain rule. It is shown that the objective and its sensitivity can be evaluated semi-analytically. We present efficient numerical procedures to compute them and incorporate them into a topology optimisation based on the level-set method. We confirm the validity and effectiveness of the present method through some numerical examples.
Estimating nested expectations is an important task in computational mathematics and statistics. In this paper we propose a new Monte Carlo method using post-stratification to estimate nested expectations efficiently without taking samples of the inner random variable from the conditional distribution given the outer random variable. This property provides the advantage over many existing methods that it enables us to estimate nested expectations only with a dataset on the pair of the inner and outer variables drawn from the joint distribution. We show an upper bound on the mean squared error of the proposed method under some assumptions. Numerical experiments are conducted to compare our proposed method with several existing methods (nested Monte Carlo method, multilevel Monte Carlo method, and regression-based method), and we see that our proposed method is superior to the compared methods in terms of efficiency and applicability.
Inference in deep Bayesian neural networks is only fully understood in the infinite-width limit, where the posterior flexibility afforded by increased depth washes out and the posterior predictive collapses to a shallow Gaussian process. Here, we interpret finite deep linear Bayesian neural networks as data-dependent scale mixtures of Gaussian process predictors across output channels. We leverage this observation to study representation learning in these networks, allowing us to connect limiting results obtained in previous studies within a unified framework. In total, these results advance our analytical understanding of how depth affects inference in a simple class of Bayesian neural networks.
Although neural networks are powerful function approximators, the underlying modelling assumptions ultimately define the likelihood and thus the hypothesis class they are parameterizing. In classification, these assumptions are minimal as the commonly employed softmax is capable of representing any categorical distribution. In regression, however, restrictive assumptions on the type of continuous distribution to be realized are typically placed, like the dominant choice of training via mean-squared error and its underlying Gaussianity assumption. Recently, modelling advances allow to be agnostic to the type of continuous distribution to be modelled, granting regression the flexibility of classification models. While past studies stress the benefit of such flexible regression models in terms of performance, here we study the effect of the model choice on uncertainty estimation. We highlight that under model misspecification, aleatoric uncertainty is not properly captured, and that a Bayesian treatment of a misspecified model leads to unreliable epistemic uncertainty estimates. Overall, our study provides an overview on how modelling choices in regression may influence uncertainty estimation and thus any downstream decision making process.
Influence maximization is the task of selecting a small number of seed nodes in a social network to maximize the spread of the influence from these seeds, and it has been widely investigated in the past two decades. In the canonical setting, the whole social network as well as its diffusion parameters is given as input. In this paper, we consider the more realistic sampling setting where the network is unknown and we only have a set of passively observed cascades that record the set of activated nodes at each diffusion step. We study the task of influence maximization from these cascade samples (IMS), and present constant approximation algorithms for this task under mild conditions on the seed set distribution. To achieve the optimization goal, we also provide a novel solution to the network inference problem, that is, learning diffusion parameters and the network structure from the cascade data. Comparing with prior solutions, our network inference algorithm requires weaker assumptions and does not rely on maximum-likelihood estimation and convex programming. Our IMS algorithms enhance the learning-and-then-optimization approach by allowing a constant approximation ratio even when the diffusion parameters are hard to learn, and we do not need any assumption related to the network structure or diffusion parameters.
The Bayesian paradigm has the potential to solve core issues of deep neural networks such as poor calibration and data inefficiency. Alas, scaling Bayesian inference to large weight spaces often requires restrictive approximations. In this work, we show that it suffices to perform inference over a small subset of model weights in order to obtain accurate predictive posteriors. The other weights are kept as point estimates. This subnetwork inference framework enables us to use expressive, otherwise intractable, posterior approximations over such subsets. In particular, we implement subnetwork linearized Laplace: We first obtain a MAP estimate of all weights and then infer a full-covariance Gaussian posterior over a subnetwork. We propose a subnetwork selection strategy that aims to maximally preserve the model's predictive uncertainty. Empirically, our approach is effective compared to ensembles and less expressive posterior approximations over full networks.
This work focuses on combining nonparametric topic models with Auto-Encoding Variational Bayes (AEVB). Specifically, we first propose iTM-VAE, where the topics are treated as trainable parameters and the document-specific topic proportions are obtained by a stick-breaking construction. The inference of iTM-VAE is modeled by neural networks such that it can be computed in a simple feed-forward manner. We also describe how to introduce a hyper-prior into iTM-VAE so as to model the uncertainty of the prior parameter. Actually, the hyper-prior technique is quite general and we show that it can be applied to other AEVB based models to alleviate the {\it collapse-to-prior} problem elegantly. Moreover, we also propose HiTM-VAE, where the document-specific topic distributions are generated in a hierarchical manner. HiTM-VAE is even more flexible and can generate topic distributions with better variability. Experimental results on 20News and Reuters RCV1-V2 datasets show that the proposed models outperform the state-of-the-art baselines significantly. The advantages of the hyper-prior technique and the hierarchical model construction are also confirmed by experiments.
Topic models have been widely explored as probabilistic generative models of documents. Traditional inference methods have sought closed-form derivations for updating the models, however as the expressiveness of these models grows, so does the difficulty of performing fast and accurate inference over their parameters. This paper presents alternative neural approaches to topic modelling by providing parameterisable distributions over topics which permit training by backpropagation in the framework of neural variational inference. In addition, with the help of a stick-breaking construction, we propose a recurrent network that is able to discover a notionally unbounded number of topics, analogous to Bayesian non-parametric topic models. Experimental results on the MXM Song Lyrics, 20NewsGroups and Reuters News datasets demonstrate the effectiveness and efficiency of these neural topic models.
In this paper we discuss policy iteration methods for approximate solution of a finite-state discounted Markov decision problem, with a focus on feature-based aggregation methods and their connection with deep reinforcement learning schemes. We introduce features of the states of the original problem, and we formulate a smaller "aggregate" Markov decision problem, whose states relate to the features. The optimal cost function of the aggregate problem, a nonlinear function of the features, serves as an architecture for approximation in value space of the optimal cost function or the cost functions of policies of the original problem. We discuss properties and possible implementations of this type of aggregation, including a new approach to approximate policy iteration. In this approach the policy improvement operation combines feature-based aggregation with reinforcement learning based on deep neural networks, which is used to obtain the needed features. We argue that the cost function of a policy may be approximated much more accurately by the nonlinear function of the features provided by aggregation, than by the linear function of the features provided by deep reinforcement learning, thereby potentially leading to more effective policy improvement.
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