Probabilistic graphical models are powerful tools which allow us to formalise our knowledge about the world and reason about its inherent uncertainty. There exist a considerable number of methods for performing inference in probabilistic graphical models; however, they can be computationally costly due to significant time burden and/or storage requirements; or they lack theoretical guarantees of convergence and accuracy when applied to large scale graphical models. To this end, we propose the Universal Marginaliser Importance Sampler (UM-IS) -- a hybrid inference scheme that combines the flexibility of a deep neural network trained on samples from the model and inherits the asymptotic guarantees of importance sampling. We show how combining samples drawn from the graphical model with an appropriate masking function allows us to train a single neural network to approximate any of the corresponding conditional marginal distributions, and thus amortise the cost of inference. We also show that the graph embeddings can be applied for tasks such as: clustering, classification and interpretation of relationships between the nodes. Finally, we benchmark the method on a large graph (>1000 nodes), showing that UM-IS outperforms sampling-based methods by a large margin while being computationally efficient.

Accurate and real-time traffic forecasting plays an important role in the Intelligent Traffic System (ITS), it is of great significance for urban traffic planning, traffic management, and traffic control. However, traffic forecasting has always been a concerned open scientific issue, owing to the constraint of urban road network topological structure and the law of dynamic change with time, namely spatial dependence and temporal dependence. In order to capture the spatial and temporal dependence simultaneously, we propose a novel neural network-based traffic forecasting method, temporal graph convolutional network (T-GCN) model, which is in combination with the graph convolutional network (GCN) and gated recurrent unit (GRU). Specifically, the graph convolutional network is used to learn the complex topological structure to capture the spatial dependence and the gated recurrent unit is used to learn the dynamic change of traffic flow to capture the temporal dependence. And then, the T-GCN model is employed to realize the traffic forecasting task based on urban road network. Experiments demonstrate that our T-GCN model can obtain the spatio temporal correlation from traffic data and the prediction effects outperform state-of-art baselines on real-world traffic datasets.

Most of the datasets normally contain either numeric or categorical features. Mixed data comprises of both numeric and categorical features, and they frequently occur in various domains, such as health, finance, marketing, etc. Clustering is often sought on mixed data to find structures and to group similar objects. However, clustering mixed data is challenging because it is difficult to directly apply mathematical operations, such as summation, average etc. on the feature values of these datasets. In this paper, we review various types of mixed data clustering techniques in detail. We present a taxonomy to identify ten types of different mixed data clustering techniques. We also compare the performance of several mixed data clustering methods on publicly available datasets. The paper further identifies challenges in developing different mixed data clustering algorithms and provides guidelines for future directions in this area.

Bayesian neural learning feature a rigorous approach to estimation and uncertainty quantification via the posterior distribution of weights that represent knowledge of the neural network. This not only provides point estimates of optimal set of weights but also the ability to quantify uncertainty in decision making using the posterior distribution. Markov chain Monte Carlo (MCMC) techniques are typically used to obtain sample-based estimates of the posterior distribution. However, these techniques face challenges in convergence and scalability, particularly in settings with large datasets and network architectures. This paper address these challenges in two ways. First, parallel tempering is used used to explore multiple modes of the posterior distribution and implemented in multi-core computing architecture. Second, we make within-chain sampling schemes more efficient by using Langevin gradient information in forming Metropolis-Hastings proposal distributions. We demonstrate the techniques using time series prediction and pattern classification applications. The results show that the method not only improves the computational time, but provides better prediction or decision making capabilities when compared to related methods.

We present a deep learning framework for quantifying and propagating uncertainty in systems governed by non-linear differential equations using physics-informed neural networks. Specifically, we employ latent variable models to construct probabilistic representations for the system states, and put forth an adversarial inference procedure for training them on data, while constraining their predictions to satisfy given physical laws expressed by partial differential equations. Such physics-informed constraints provide a regularization mechanism for effectively training deep generative models as surrogates of physical systems in which the cost of data acquisition is high, and training data-sets are typically small. This provides a flexible framework for characterizing uncertainty in the outputs of physical systems due to randomness in their inputs or noise in their observations that entirely bypasses the need for repeatedly sampling expensive experiments or numerical simulators. We demonstrate the effectiveness of our approach through a series of examples involving uncertainty propagation in non-linear conservation laws, and the discovery of constitutive laws for flow through porous media directly from noisy data.

In image classification tasks, the ability of deep CNNs to deal with complex image data has proven to be unrivalled. However, they require large amounts of labeled training data to reach their full potential. In specialised domains such as healthcare, labeled data can be difficult and expensive to obtain. Active Learning aims to alleviate this problem, by reducing the amount of labelled data needed for a specific task while delivering satisfactory performance. We propose DEBAL, a new active learning strategy designed for deep neural networks. This method improves upon the current state-of-the-art deep Bayesian active learning method, which suffers from the mode collapse problem. We correct for this deficiency by making use of the expressive power and statistical properties of model ensembles. Our proposed method manages to capture superior data uncertainty, which translates into improved classification performance. We demonstrate empirically that our ensemble method yields faster convergence of CNNs trained on the MNIST and CIFAR-10 datasets.

Mathematical Theory of Evidence (MTE) is known as a foundation for reasoning when knowledge is expressed at various levels of detail. Though much research effort has been committed to this theory since its foundation, many questions remain open. One of the most important open questions seems to be the relationship between frequencies and the Mathematical Theory of Evidence. The theory is blamed to leave frequencies outside (or aside of) its framework. The seriousness of this accusation is obvious: no experiment may be run to compare the performance of MTE-based models of real world processes against real world data. In this paper we develop a frequentist model of the MTE bringing to fall the above argument against MTE. We describe, how to interpret data in terms of MTE belief functions, how to reason from data about conditional belief functions, how to generate a random sample out of a MTE model, how to derive MTE model from data and how to compare results of reasoning in MTE model and reasoning from data. It is claimed in this paper that MTE is suitable to model some types of destructive processes

The benefits of automating design cycles for Bayesian inference-based algorithms are becoming increasingly recognized by the machine learning community. As a result, interest in probabilistic programming frameworks has much increased over the past few years. This paper explores a specific probabilistic programming paradigm, namely message passing in Forney-style factor graphs (FFGs), in the context of automated design of efficient Bayesian signal processing algorithms. To this end, we developed "ForneyLab" (https://github.com/biaslab/ForneyLab.jl) as a Julia toolbox for message passing-based inference in FFGs. We show by example how ForneyLab enables automatic derivation of Bayesian signal processing algorithms, including algorithms for parameter estimation and model comparison. Crucially, due to the modular makeup of the FFG framework, both the model specification and inference methods are readily extensible in ForneyLab. In order to test this framework, we compared variational message passing as implemented by ForneyLab with automatic differentiation variational inference (ADVI) and Monte Carlo methods as implemented by state-of-the-art tools "Edward" and "Stan". In terms of performance, extensibility and stability issues, ForneyLab appears to enjoy an edge relative to its competitors for automated inference in state-space models.

Annotating the right data for training deep neural networks is an important challenge. Active learning using uncertainty estimates from Bayesian Neural Networks (BNNs) could provide an effective solution to this. Despite being theoretically principled, BNNs require approximations to be applied to large-scale problems, and have not been used widely by practitioners. In this paper, we introduce Deep Probabilistic Ensembles (DPEs), a scalable technique that uses a regularized ensemble to approximate a deep BNN. We conduct a series of active learning experiments to evaluate DPEs on classification with the CIFAR-10, CIFAR-100 and ImageNet datasets, and semantic segmentation with the BDD100k dataset. Our models consistently outperform baselines and previously published methods, requiring significantly less training data to achieve competitive performances.

We introduce a novel framework for the estimation of the posterior distribution of the weights of a neural network, based on a new probabilistic interpretation of adaptive subgradient algorithms such as AdaGrad and Adam. Having a confidence measure of the weights allows several shortcomings of neural networks to be addressed. In particular, the robustness of the network can be improved by performing weight pruning based on signal-to-noise ratios from the weight posterior distribution. Using the MNIST dataset, we demonstrate that the empirical performance of Badam, a particular instance of our framework based on Adam, is competitive in comparison to related Bayesian approaches such as Bayes By Backprop.