Learning Graphical Models
Deep Compositional Spatial Models
Zammit-Mangion, Andrew, Ng, Tin Lok James, Vu, Quan, Filippone, Maurizio
Nonstationary, anisotropic spatial processes are often used when modelling, analysing and predicting complex environmental phenomena. One such class of processes considers a stationary, isotropic process on a warped spatial domain. The warping function is generally difficult to fit and not constrained to be bijective, often resulting in 'space-folding.' Here, we propose modelling a bijective warping function through a composition of multiple elemental bijective functions in a deep-learning framework. We consider two cases; first, when these functions are known up to some weights that need to be estimated, and, second, when the weights in each layer are random. Inspired by recent methodological and technological advances in deep learning and deep Gaussian processes, we employ approximate Bayesian methods to make inference with these models using graphical processing units. Through simulation studies in one and two dimensions we show that the deep compositional spatial models are quick to fit, and are able to provide better predictions and uncertainty quantification than other deep stochastic models of similar complexity. We also show their remarkable capacity to model highly nonstationary, anisotropic spatial data using radiances from the MODIS instrument aboard the Aqua satellite.
A General $\mathcal{O}(n^2)$ Hyper-Parameter Optimization for Gaussian Process Regression with Cross-Validation and Non-linearly Constrained ADMM
Xu, Linning, Yin, Feng, Zhang, Jiawei, Luo, Zhi-Quan, Cui, Shuguang
Hyper-parameter optimization remains as the core issue of Gaussian process (GP) for machine learning nowadays. The benchmark method using maximum likelihood (ML) estimation and gradient descent (GD) is impractical for processing big data due to its $O(n^3)$ complexity. Many sophisticated global or local approximation models, for instance, sparse GP, distributed GP, have been proposed to address such complexity issue. In this paper, we propose two novel and general-purpose GP hyper-parameter training schemes (GPCV-ADMM) by replacing ML with cross-validation (CV) as the fitting criterion and replacing GD with a non-linearly constrained alternating direction method of multipliers (ADMM) as the optimization method. The proposed schemes are of $O(n^2)$ complexity for any covariance matrix without special structure. We conduct various experiments based on both synthetic and real data sets, wherein the proposed schemes show excellent performance in terms of convergence, hyper-parameter estimation accuracy, and computational time in comparison with the traditional ML based routines given in the GPML toolbox.
Class-Conditional Compression and Disentanglement: Bridging the Gap between Neural Networks and Naive Bayes Classifiers
Amjad, Rana Ali, Geiger, Bernhard C.
In this draft, which reports on work in progress, we 1) adapt the information bottleneck functional by replacing the compression term by class-conditional compression, 2) relax this functional using a variational bound related to class-conditional disentanglement, 3) consider this functional as a training objective for stochastic neural networks, and 4) show that the latent representations are learned such that they can be used in a naive Bayes classifier. We continue by suggesting a series of experiments along the lines of Nonlinear Information Bottleneck [Kolchinsky et al., 2018], Deep Variational Information Bottleneck [Alemi et al., 2017], and Information Dropout [Achille and Soatto, 2018]. We furthermore suggest a neural network where the decoder architecture is a parameterized naive Bayes decoder. We consider a classification task with a feature random variable (RV) X on R and a class RV Y on the finite set Y of classes. We further consider stochastic feed-forward neural networks (NNs).
Can You Trust Your Model's Uncertainty? Evaluating Predictive Uncertainty Under Dataset Shift
Ovadia, Yaniv, Fertig, Emily, Ren, Jie, Nado, Zachary, Sculley, D, Nowozin, Sebastian, Dillon, Joshua V., Lakshminarayanan, Balaji, Snoek, Jasper
Modern machine learning methods including deep learning have achieved great success in predictive accuracy for supervised learning tasks, but may still fall short in giving useful estimates of their predictive {\em uncertainty}. Quantifying uncertainty is especially critical in real-world settings, which often involve input distributions that are shifted from the training distribution due to a variety of factors including sample bias and non-stationarity. In such settings, well calibrated uncertainty estimates convey information about when a model's output should (or should not) be trusted. Many probabilistic deep learning methods, including Bayesian-and non-Bayesian methods, have been proposed in the literature for quantifying predictive uncertainty, but to our knowledge there has not previously been a rigorous large-scale empirical comparison of these methods under dataset shift. We present a large-scale benchmark of existing state-of-the-art methods on classification problems and investigate the effect of dataset shift on accuracy and calibration. We find that traditional post-hoc calibration does indeed fall short, as do several other previous methods. However, some methods that marginalize over models give surprisingly strong results across a broad spectrum of tasks.
Practical Deep Learning with Bayesian Principles
Osawa, Kazuki, Swaroop, Siddharth, Jain, Anirudh, Eschenhagen, Runa, Turner, Richard E., Yokota, Rio, Khan, Mohammad Emtiyaz
Bayesian methods promise to fix many shortcomings of deep learning, but they are impractical and rarely match the performance of standard methods, let alone improve them. In this paper, we demonstrate practical training of deep networks with natural-gradient variational inference. By applying techniques such as batch normalisation, data augmentation, and distributed training, we achieve similar performance in about the same number of epochs as the Adam optimiser, even on large datasets such as ImageNet. Importantly, the benefits of Bayesian principles are preserved: predictive probabilities are well-calibrated and uncertainties on out-of-distribution data are improved. This work enables practical deep learning while preserving benefits of Bayesian principles. A PyTorch implementation will be available as a plug-and-play optimiser.
Discriminative adversarial networks for positive-unlabeled learning
Liu, Fangqing, Chen, Hui, Zhao, Liyue, Wu, Hao
As an important semi-supervised learning task, positive-unlabeled (PU) learning aims to learn a binary classifier only from positive and unlabeled data. In this article, we develop a novel PU learning framework, called discriminative adversarial networks, which contains two discriminative models represented by deep neural networks. One model $\Phi$ predicts the conditional probability of the positive label for a given sample, which defines a Bayes classifier after training, and the other model $D$ distinguishes labeled positive data from those identified by $\Phi$. The two models are simultaneously trained in an adversarial way like generative adversarial networks, and the equilibrium can be achieved when the output of $\Phi$ is close to the exact posterior probability of the positive class. In contrast with existing deep PU learning approaches, DAN does not require the class prior estimation, and its consistency can be proved under very general conditions. Numerical experiments demonstrate the effectiveness of the proposed framework.
Uncertainty-guided Continual Learning with Bayesian Neural Networks
Ebrahimi, Sayna, Elhoseiny, Mohamed, Darrell, Trevor, Rohrbach, Marcus
Continual learning aims to learn new tasks without forgetting previously learned ones. This is especially challenging when one cannot access data from previous tasks and when the model has a fixed capacity. Current regularization-based continual learning algorithms need an external representation and extra computation to measure the parameters' importance. In contrast, we propose Uncertainty-guided Continual Bayesian Neural Networks (UCB), where the learning rate adapts according to the uncertainty defined in the probability distribution of the weights in networks. Uncertainty is a natural way to identify what to remember and what to change as we continually learn, allowing to mitigate catastrophic forgetting. We also show a variant of our model, which uses uncertainty for weight pruning and retains task performance after pruning by saving binary masks per tasks. We evaluate our UCB approach extensively on diverse object classification datasets with short and long sequences of tasks and report superior or on-par performance compared to existing approaches. Additionally, we show that our model does not necessarily need task information at test time, i.e. it does not presume knowledge of which task a sample belongs to.
Unsupervised learning and its role in the knowledge discovery process
Unlike supervised learning, unsupervised learning not working with labeled data, it is not showing the machine the correct answer. Instead, it is using different algorithms to let the machine create connections by studying and observing the data. Learning and improving by trial and error is the key to unsupervised learning. However, the Knowledge Discovery process is the field of data mining is concerned with the development of methods, techniques and algorithm which can make sense of the available data. It is useful in finding trends, patterns, correlations and anomalies in the databases which is helpful to make accurate decisions for the future.
Machine Learning and System Identification for Estimation in Physical Systems
In this thesis, we draw inspiration from both classical system identification and modern machine learning in order to solve estimation problems for real-world, physical systems. The main approach to estimation and learning adopted is optimization based. Concepts such as regularization will be utilized for encoding of prior knowledge and basis-function expansions will be used to add nonlinear modeling power while keeping data requirements practical. The thesis covers a wide range of applications, many inspired by applications within robotics, but also extending outside this already wide field. Usage of the proposed methods and algorithms are in many cases illustrated in the real-world applications that motivated the research. Topics covered include dynamics modeling and estimation, model-based reinforcement learning, spectral estimation, friction modeling and state estimation and calibration in robotic machining. In the work on modeling and identification of dynamics, we develop regularization strategies that allow us to incorporate prior domain knowledge into flexible, overparameterized models. We make use of classical control theory to gain insight into training and regularization while using flexible tools from modern deep learning. A particular focus of the work is to allow use of modern methods in scenarios where gathering data is associated with a high cost. In the robotics-inspired parts of the thesis, we develop methods that are practically motivated and ensure that they are implementable also outside the research setting. We demonstrate this by performing experiments in realistic settings and providing open-source implementations of all proposed methods and algorithms.
Bayesian Hierarchical Mixture Clustering using Multilevel Hierarchical Dirichlet Processes
Huang, Weipeng, Laitonjam, Nishma, Piao, Guangyuan, Hurley, Neil
This paper focuses on the problem of hierarchical non-overlapping clustering of a dataset. In such a clustering, each data item is associated with exactly one leaf node and each internal node is associated with all the data items stored in the sub-tree beneath it, so that each level of the hierarchy corresponds to a partition of the dataset. We develop a novel Bayesian nonparametric method combining the nested Chinese Restaurant Process (nCRP) and the Hierarchical Dirichlet Process (HDP). Compared with other existing Bayesian approaches, our solution tackles data with complex latent mixture features which has not been previously explored in the literature. We discuss the details of the model and the inference procedure. Furthermore, experiments on three datasets show that our method achieves solid empirical results in comparison with existing algorithms.