Uncertainty
Sharp Rate of Convergence for Deep Neural Network Classifiers under the Teacher-Student Setting
Hu, Tianyang, Shang, Zuofeng, Cheng, Guang
Classifiers built with neural networks handle large-scale high dimensional data, such as facial images from computer vision, extremely well while traditional statistical methods often fail miserably. In this paper, we attempt to understand this empirical success in high dimensional classification by deriving the convergence rates of excess risk. In particular, a teacher-student framework is proposed that assumes the Bayes classifier to be expressed as ReLU neural networks. In this setup, we obtain a sharp rate of convergence, i.e., $\tilde{O}_d(n^{-2/3})$, for classifiers trained using either 0-1 loss or hinge loss. This rate can be further improved to $\tilde{O}_d(n^{-1})$ when the data distribution is separable. Here, $n$ denotes the sample size. An interesting observation is that the data dimension only contributes to the $\log(n)$ term in the above rates. This may provide one theoretical explanation for the empirical successes of deep neural networks in high dimensional classification, particularly for structured data.
Transport Gaussian Processes for Regression
Gaussian process (GP) priors are non-parametric generative models with appealing modelling properties for Bayesian inference: they can model non-linear relationships through noisy observations, have closed-form expressions for training and inference, and are governed by interpretable hyperparameters. However, GP models rely on Gaussianity, an assumption that does not hold in several real-world scenarios, e.g., when observations are bounded or have extreme-value dependencies, a natural phenomenon in physics, finance and social sciences. Although beyond-Gaussian stochastic processes have caught the attention of the GP community, a principled definition and rigorous treatment is still lacking. In this regard, we propose a methodology to construct stochastic processes, which include GPs, warped GPs, Student-t processes and several others under a single unified approach. We also provide formulas and algorithms for training and inference of the proposed models in the regression problem. Our approach is inspired by layers-based models, where each proposed layer changes a specific property over the generated stochastic process. That, in turn, allows us to push-forward a standard Gaussian white noise prior towards other more expressive stochastic processes, for which marginals and copulas need not be Gaussian, while retaining the appealing properties of GPs. We validate the proposed model through experiments with real-world data.
Black-Box Saliency Map Generation Using Bayesian Optimisation
Mokuwe, Mamuku, Burke, Michael, Bosman, Anna Sergeevna
Anna Sergeevna Bosman Department of Computer Science University of Pretoria Pretoria, South Africa anna.bosman@up.ac.za Abstract --Saliency maps are often used in computer vision to provide intuitive interpretations of what input regions a model has used to produce a specific prediction. A number of approaches to saliency map generation are available, but most require access to model parameters. This work proposes an approach for saliency map generation for black-box models, where no access to model parameters is available, using a Bayesian optimisation sampling method. The approach aims to find the global salient image region responsible for a particular (black-box) model's prediction. This is achieved by a sampling-based approach to model perturbations that seeks to localise salient regions of an image to the black-box model. Results show that the proposed approach to saliency map generation outperforms grid-based perturbation approaches, and performs similarly to gradient-based approaches which require access to model parameters. I NTRODUCTION Deep learning (DL) techniques have become a standard approach in computer vision. Specifically, the convolutional neural network (CNN) architecture has shown exceptional performance, achieving results comparable to human performance on image recognition tasks [1]-[3]. As a result, the CNN models are often deployed in real life as efficient black-box tools.
Towards a Kernel based Physical Interpretation of Model Uncertainty
Singh, Rishabh, Principe, Jose C.
This paper introduces a new information theoretic framework that provides a sensitive multi-modal quantification of data uncertainty by imposing a quantum physical description of its metric space. We specifically work with the kernel mean embedding metric which, apart from rendering a statistically rich data-induced representation of the signal's PDF in the RKHS, yields an intuitive physical interpretation of the signal as a potential field, resulting in its new energy based formulation. This enables one to extract multi-scale uncertainty features of data in the form of information eigenmodes by utilizing moment decomposition concepts of quantum physics. In essence, we decompose local realizations of the signal's PDF in terms of quantum uncertainty moments. Owing to its kernel basis and multi-modal nature, we postulate that such a framework would serve as a powerful surrogate tool for quantifying model uncertainty. We therefore specifically present the application of this framework as a non-parametric and non-intrusive surrogate tool for predictive uncertainty quantification of point-prediction neural network models, overcoming various limitations of conventional Bayesian and ensemble based UQ methods. Experimental comparisons with some established uncertainty quantification methods illustrate performance advantages exhibited by our framework.
Convergence Guarantees for Gaussian Process Approximations Under Several Observation Models
Wynne, George, Briol, François-Xavier, Girolami, Mark
Gaussian processes are ubiquitous in statistical analysis, machine learning and applied mathematics. They provide a flexible modelling framework for approximating functions, whilst simultaneously quantifying our uncertainty about this task in a computationally tractable manner. An important question is whether these approximations will be accurate, and if so how accurate, given our various modelling choices and the difficulty of the problem. This is of practical relevance, since the answer informs our choice of model and sampling distribution for a given application. Our paper provides novel approximation guarantees for Gaussian process models based on covariance functions with finite smoothness, such as the Mat\'ern and Wendland covariance functions. They are derived from a sampling inequality which facilitates a systematic approach to obtaining upper bounds on Sobolev norms in terms of properties of the design used to collect data. This approach allows us to refine some existing results which apply in the misspecified smoothness setting and which allow for adaptive selection of hyperparameters. However, the main novelty in this paper is that our results cover a wide range of observation models including interpolation, approximation with deterministic corruption and regression with Gaussian noise.
Maximum likelihood estimation and uncertainty quantification for Gaussian process approximation of deterministic functions
Karvonen, Toni, Wynne, George, Tronarp, Filip, Oates, Chris J., Särkkä, Simo
Despite the ubiquity of the Gaussian process regression model, few theoretical results are available that account for the fact that parameters of the covariance kernel typically need to be estimated from the dataset. This article provides one of the first theoretical analyses in the context of Gaussian process regression with a noiseless dataset. Specifically, we consider the scenario where the scale parameter of a Sobolev kernel (such as a Mat\'ern kernel) is estimated by maximum likelihood. We show that the maximum likelihood estimation of the scale parameter alone provides significant adaptation against misspecification of the Gaussian process model in the sense that the model can become "slowly" overconfident at worst, regardless of the difference between the smoothness of the data-generating function and that expected by the model. The analysis is based on a combination of techniques from nonparametric regression and scattered data interpolation. Empirical results are provided in support of the theoretical findings.
On Constraint Definability in Tractable Probabilistic Models
Papantonis, Ioannis, Belle, Vaishak
Incorporating constraints is a major concern in probabilistic machine learning. A wide variety of problems require predictions to be integrated with reasoning about constraints, from modelling routes on maps to approving loan predictions. In the former, we may require the prediction model to respect the presence of physical paths between the nodes on the map, and in the latter, we may require that the prediction model respect fairness constraints that ensure that outcomes are not subject to bias. Broadly speaking, constraints may be probabilistic, logical or causal, but the overarching challenge is to determine if and how a model can be learnt that handles all the declared constraints. To the best of our knowledge, this is largely an open problem. In this paper, we consider a mathematical inquiry on how the learning of tractable probabilistic models, such as sum-product networks, is possible while incorporating constraints.
stream-learn -- open-source Python library for difficult data stream batch analysis
Ksieniewicz, Paweł, Zyblewski, Paweł
stream-learn is a Python package compatible with scikit-learn and developed for the drifting and imbalanced data stream analysis. I ts main component is a stream generator, which allows to produce a synthet ic data stream that may incorporate each of the three main concept drift typ es (i.e. The package allows conducting experiments following estab lished evaluation methodologies (i.e. In addition, estimators adapted for data stream classification have been implem ented, including both simple classifiers and state-of-art chunk-based and online classifier ensembles. To improve computational efficiency, package utili ses its own implementations of prediction metrics for imbalanced binary cla ssification tasks. Keywords: Data stream, Concept drift, Imbalanced data, Dynamic class imbalance 1. Motivation and significance Pattern recognition research increasingly goes beyond the usual pattern of building classification models on stationary data sets an d focuses on data stream processing where class distributions, and hence als o decision boundaries, may change over time [1].
The Case for Bayesian Deep Learning
The key distinguishing property of a Bayesian approach is marginalization instead of optimization, not the prior, or Bayes rule. Bayesian inference is especially compelling for deep neural networks. (1) Neural networks are typically underspecified by the data, and can represent many different but high performing models corresponding to different settings of parameters, which is exactly when marginalization will make the biggest difference for both calibration and accuracy. (2) Deep ensembles have been mistaken as competing approaches to Bayesian methods, but can be seen as approximate Bayesian marginalization. (3) The structure of neural networks gives rise to a structured prior in function space, which reflects the inductive biases of neural networks that help them generalize. (4) The observed correlation between parameters in flat regions of the loss and a diversity of solutions that provide good generalization is further conducive to Bayesian marginalization, as flat regions occupy a large volume in a high dimensional space, and each different solution will make a good contribution to a Bayesian model average. (5) Recent practical advances for Bayesian deep learning provide improvements in accuracy and calibration compared to standard training, while retaining scalability.
Bayesian Reasoning with Deep-Learned Knowledge
Knollmüller, Jakob, Enßlin, Torsten
We access the internalized understanding of trained, deep neural networks to perform Bayesian reasoning on complex tasks. Independently trained networks are arranged to jointly answer questions outside their original scope, which are formulated in terms of a Bayesian inference problem. We solve this approximately with variational inference, which provides uncertainty on the outcomes. We demonstrate how following tasks can be approached this way: Combining independently trained networks to sample from a conditional generator, solving riddles involving multiple constraints simultaneously, and combine deep-learned knowledge with conventional noisy measurements in the context of high-resolution images of human faces.