Stochastic processes provide a mathematically elegant way model complex data. In theory, they provide flexible priors over function classes that can encode a wide range of interesting assumptions. In practice, however, efficient inference by optimisation or marginalisation is difficult, a problem further exacerbated with big data and high dimensional input spaces. We propose a novel variational autoencoder (VAE) called the prior encoding variational autoencoder ($\pi$VAE). The $\pi$VAE is finitely exchangeable and Kolmogorov consistent, and thus is a continuous stochastic process. We use $\pi$VAE to learn low dimensional embeddings of function classes. We show that our framework can accurately learn expressive function classes such as Gaussian processes, but also properties of functions to enable statistical inference (such as the integral of a log Gaussian process). For popular tasks, such as spatial interpolation, $\pi$VAE achieves state-of-the-art performance both in terms of accuracy and computational efficiency. Perhaps most usefully, we demonstrate that the low dimensional independently distributed latent space representation learnt provides an elegant and scalable means of performing Bayesian inference for stochastic processes within probabilistic programming languages such as Stan.
相關內容
The training of high-dimensional regression models on comparably sparse data is an important yet complicated topic, especially when there are many more model parameters than observations in the data. From a Bayesian perspective, inference in such cases can be achieved with the help of shrinkage prior distributions, at least for generalized linear models. However, real-world data usually possess multilevel structures, such as repeated measurements or natural groupings of individuals, which existing shrinkage priors are not built to deal with. We generalize and extend one of these priors, the R2D2 prior by Zhang et al. (2020), to linear multilevel models leading to what we call the R2D2M2 prior. The proposed prior enables both local and global shrinkage of the model parameters. It comes with interpretable hyperparameters, which we show to be intrinsically related to vital properties of the prior, such as rates of concentration around the origin, tail behavior, and amount of shrinkage the prior exerts. We offer guidelines on how to select the prior's hyperparameters by deriving shrinkage factors and measuring the effective number of non-zero model coefficients. Hence, the user can readily evaluate and interpret the amount of shrinkage implied by a specific choice of hyperparameters. Finally, we perform extensive experiments on simulated and real data, showing that our inference procedure for the prior is well calibrated, has desirable global and local regularization properties and enables the reliable and interpretable estimation of much more complex Bayesian multilevel models than was previously possible.
When sampling for Bayesian inference, one popular approach is to use Hamiltonian Monte Carlo (HMC) and specifically the No-U-Turn Sampler (NUTS) which automatically decides the end time of the Hamiltonian trajectory. However, HMC and NUTS can require numerous numerical gradients of the target density, and can prove slow in practice. We propose Hamiltonian neural networks (HNNs) with HMC and NUTS for solving Bayesian inference problems. Once trained, HNNs do not require numerical gradients of the target density during sampling. Moreover, they satisfy important properties such as perfect time reversibility and Hamiltonian conservation, making them well-suited for use within HMC and NUTS because stationarity can be shown. We also propose an HNN extension called latent HNNs (L-HNNs), which are capable of predicting latent variable outputs. Compared to HNNs, L-HNNs offer improved expressivity and reduced integration errors. Finally, we employ L-HNNs in NUTS with an online error monitoring scheme to prevent sample degeneracy in regions of low probability density. We demonstrate L-HNNs in NUTS with online error monitoring on several examples involving complex, heavy-tailed, and high-local-curvature probability densities. Overall, L-HNNs in NUTS with online error monitoring satisfactorily inferred these probability densities. Compared to traditional NUTS, L-HNNs in NUTS with online error monitoring required 1--2 orders of magnitude fewer numerical gradients of the target density and improved the effective sample size (ESS) per gradient by an order of magnitude.
Deep Learning (DL) methods have emerged as one of the most powerful tools for functional approximation and prediction. While the representation properties of DL have been well studied, uncertainty quantification remains challenging and largely unexplored. Data augmentation techniques are a natural approach to provide uncertainty quantification and to incorporate stochastic Monte Carlo search into stochastic gradient descent (SGD) methods. The purpose of our paper is to show that training DL architectures with data augmentation leads to efficiency gains. We use the theory of scale mixtures of normals to derive data augmentation strategies for deep learning. This allows variants of the expectation-maximization and MCMC algorithms to be brought to bear on these high dimensional nonlinear deep learning models. To demonstrate our methodology, we develop data augmentation algorithms for a variety of commonly used activation functions: logit, ReLU, leaky ReLU and SVM. Our methodology is compared to traditional stochastic gradient descent with back-propagation. Our optimization procedure leads to a version of iteratively re-weighted least squares and can be implemented at scale with accelerated linear algebra methods providing substantial improvement in speed. We illustrate our methodology on a number of standard datasets. Finally, we conclude with directions for future research.
The goal of Bayesian deep learning is to provide uncertainty quantification via the posterior distribution. However, exact inference over the weight space is computationally intractable due to the ultra-high dimensions of the neural network. Variational inference (VI) is a promising approach, but naive application on weight space does not scale well and often underperform on predictive accuracy. In this paper, we propose a new adaptive variational Bayesian algorithm to train neural networks on weight space that achieves high predictive accuracy. By showing that there is an equivalence to Stochastic Gradient Hamiltonian Monte Carlo(SGHMC) with preconditioning matrix, we then propose an MCMC within EM algorithm, which incorporates the spike-and-slab prior to capture the sparsity of the neural network. The EM-MCMC algorithm allows us to perform optimization and model pruning within one-shot. We evaluate our methods on CIFAR-10, CIFAR-100 and ImageNet datasets, and demonstrate that our dense model can reach the state-of-the-art performance and our sparse model perform very well compared to previously proposed pruning schemes.
Information-theoretic Bayesian optimization techniques have become popular for optimizing expensive-to-evaluate black-box functions due to their non-myopic qualities. Entropy Search and Predictive Entropy Search both consider the entropy over the optimum in the input space, while the recent Max-value Entropy Search considers the entropy over the optimal value in the output space. We propose Joint Entropy Search (JES), a novel information-theoretic acquisition function that considers an entirely new quantity, namely the entropy over the joint optimal probability density over both input and output space. To incorporate this information, we consider the reduction in entropy from conditioning on fantasized optimal input/output pairs. The resulting approach primarily relies on standard GP machinery and removes complex approximations typically associated with information-theoretic methods. With minimal computational overhead, JES shows superior decision-making, and yields state-of-the-art performance for information-theoretic approaches across a wide suite of tasks. As a light-weight approach with superior results, JES provides a new go-to acquisition function for Bayesian optimization.
In domains where sample sizes are limited, efficient learning algorithms are critical. Learning using privileged information (LuPI) offers increased sample efficiency by allowing prediction models access to auxiliary information at training time which is unavailable when the models are used. In recent work, it was shown that for prediction in linear-Gaussian dynamical systems, a LuPI learner with access to intermediate time series data is never worse and often better in expectation than any unbiased classical learner. We provide new insights into this analysis and generalize it to nonlinear prediction tasks in latent dynamical systems, extending theoretical guarantees to the case where the map connecting latent variables and observations is known up to a linear transform. In addition, we propose algorithms based on random features and representation learning for the case when this map is unknown. A suite of empirical results confirm theoretical findings and show the potential of using privileged time-series information in nonlinear prediction.
We develop a novel deep learning method for uncertainty quantification in stochastic partial differential equations based on Bayesian neural network (BNN) and Hamiltonian Monte Carlo (HMC). A BNN efficiently learns the posterior distribution of the parameters in deep neural networks by performing Bayesian inference on the network parameters. The posterior distribution is efficiently sampled using HMC to quantify uncertainties in the system. Several numerical examples are shown for both forward and inverse problems in high dimension to demonstrate the effectiveness of the proposed method for uncertainty quantification. These also show promising results that the computational cost is almost independent of the dimension of the problem demonstrating the potential of the method for tackling the so-called curse of dimensionality.
Despite the fast development of multi-agent reinforcement learning (MARL) methods, there is a lack of commonly-acknowledged baseline implementation and evaluation platforms. As a result, an urgent need for MARL researchers is to develop an integrated library suite, similar to the role of RLlib in single-agent RL, that delivers reliable MARL implementation and replicable evaluation in various benchmarks. To fill such a research gap, in this paper, we propose Multi-Agent RLlib (MARLlib), a comprehensive MARL algorithm library that facilitates RLlib for solving multi-agent problems. With a novel design of agent-level distributed dataflow, MARLlib manages to unify tens of algorithms, including different types of independent learning, centralized critic, and value decomposition methods; this leads to a highly composable integration of MARL algorithms that are not possible to unify before. Furthermore, MARLlib goes beyond current work by integrating diverse environment interfaces and providing flexible parameter sharing strategies; this allows to create versatile solutions to cooperative, competitive, and mixed tasks with minimal code modifications for end users. A plethora of experiments are conducted to substantiate the correctness of our implementation, based on which we further derive new insights on the relationship between the performance and the design of algorithmic components. With MARLlib, we expect researchers to be able to tackle broader real-world multi-agent problems with trustworthy solutions. Our code\footnote{\url{//github.com/Replicable-MARL/MARLlib}} and documentation\footnote{\url{//marllib.readthedocs.io/}} are released for reference.
The adaptive processing of structured data is a long-standing research topic in machine learning that investigates how to automatically learn a mapping from a structured input to outputs of various nature. Recently, there has been an increasing interest in the adaptive processing of graphs, which led to the development of different neural network-based methodologies. In this thesis, we take a different route and develop a Bayesian Deep Learning framework for graph learning. The dissertation begins with a review of the principles over which most of the methods in the field are built, followed by a study on graph classification reproducibility issues. We then proceed to bridge the basic ideas of deep learning for graphs with the Bayesian world, by building our deep architectures in an incremental fashion. This framework allows us to consider graphs with discrete and continuous edge features, producing unsupervised embeddings rich enough to reach the state of the art on several classification tasks. Our approach is also amenable to a Bayesian nonparametric extension that automatizes the choice of almost all model's hyper-parameters. Two real-world applications demonstrate the efficacy of deep learning for graphs. The first concerns the prediction of information-theoretic quantities for molecular simulations with supervised neural models. After that, we exploit our Bayesian models to solve a malware-classification task while being robust to intra-procedural code obfuscation techniques. We conclude the dissertation with an attempt to blend the best of the neural and Bayesian worlds together. The resulting hybrid model is able to predict multimodal distributions conditioned on input graphs, with the consequent ability to model stochasticity and uncertainty better than most works. Overall, we aim to provide a Bayesian perspective into the articulated research field of deep learning for graphs.
A comprehensive artificial intelligence system needs to not only perceive the environment with different `senses' (e.g., seeing and hearing) but also infer the world's conditional (or even causal) relations and corresponding uncertainty. The past decade has seen major advances in many perception tasks such as visual object recognition and speech recognition using deep learning models. For higher-level inference, however, probabilistic graphical models with their Bayesian nature are still more powerful and flexible. In recent years, Bayesian deep learning has emerged as a unified probabilistic framework to tightly integrate deep learning and Bayesian models. In this general framework, the perception of text or images using deep learning can boost the performance of higher-level inference and in turn, the feedback from the inference process is able to enhance the perception of text or images. This survey provides a comprehensive introduction to Bayesian deep learning and reviews its recent applications on recommender systems, topic models, control, etc. Besides, we also discuss the relationship and differences between Bayesian deep learning and other related topics such as Bayesian treatment of neural networks.
小貼士
登錄享
相關主題
注冊地址： 北京市海淀區羊坊店路18號2幢3層301-191