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 Uncertainty


The extended Ville's inequality for nonintegrable nonnegative supermartingales

arXiv.org Machine Learning

Following initial work by Robbins, we rigorously present an extended theory of nonnegative supermartingales, requiring neither integrability nor finiteness. In particular, we derive a key maximal inequality foreshadowed by Robbins, which we call the extended Ville's inequality, that strengthens the classical Ville's inequality (for integrable nonnegative supermartingales), and also applies to our nonintegrable setting. We derive an extension of the method of mixtures, which applies to $\sigma$-finite mixtures of our extended nonnegative supermartingales. We present some implications of our theory for sequential statistics, such as the use of improper mixtures (priors) in deriving nonparametric confidence sequences and (extended) e-processes.


Artificial neural networks and time series of counts: A class of nonlinear INGARCH models

arXiv.org Machine Learning

Time series of counts are frequently analyzed using generalized integer-valued autoregressive models with conditional heteroskedasticity (INGARCH). These models employ response functions to map a vector of past observations and past conditional expectations to the conditional expectation of the present observation. In this paper, it is shown how INGARCH models can be combined with artificial neural network (ANN) response functions to obtain a class of nonlinear INGARCH models. The ANN framework allows for the interpretation of many existing INGARCH models as a degenerate version of a corresponding neural model. Details on maximum likelihood estimation, marginal effects and confidence intervals are given. The empirical analysis of time series of bounded and unbounded counts reveals that the neural INGARCH models are able to outperform reasonable degenerate competitor models in terms of the information loss.


Uncertainty Propagation in Node Classification

arXiv.org Artificial Intelligence

Quantifying predictive uncertainty of neural networks has recently attracted increasing attention. In this work, we focus on measuring uncertainty of graph neural networks (GNNs) for the task of node classification. Most existing GNNs model message passing among nodes. The messages are often deterministic. Questions naturally arise: Does there exist uncertainty in the messages? How could we propagate such uncertainty over a graph together with messages? To address these issues, we propose a Bayesian uncertainty propagation (BUP) method, which embeds GNNs in a Bayesian modeling framework, and models predictive uncertainty of node classification with Bayesian confidence of predictive probability and uncertainty of messages. Our method proposes a novel uncertainty propagation mechanism inspired by Gaussian models. Moreover, we present an uncertainty oriented loss for node classification that allows the GNNs to clearly integrate predictive uncertainty in learning procedure. Consequently, the training examples with large predictive uncertainty will be penalized. We demonstrate the BUP with respect to prediction reliability and out-of-distribution (OOD) predictions. The learned uncertainty is also analyzed in depth. The relations between uncertainty and graph topology, as well as predictive uncertainty in the OOD cases are investigated with extensive experiments. The empirical results with popular benchmark datasets demonstrate the superior performance of the proposed method.


Average Adjusted Association: Efficient Estimation with High Dimensional Confounders

arXiv.org Artificial Intelligence

The log odds ratio is a well-established metric for evaluating the association between binary outcome and exposure variables. Despite its widespread use, there has been limited discussion on how to summarize the log odds ratio as a function of confounders through averaging. To address this issue, we propose the Average Adjusted Association (AAA), which is a summary measure of association in a heterogeneous population, adjusted for observed confounders. To facilitate the use of it, we also develop efficient double/debiased machine learning (DML) estimators of the AAA. Our DML estimators use two equivalent forms of the efficient influence function, and are applicable in various sampling scenarios, including random sampling, outcome-based sampling, and exposure-based sampling. Through real data and simulations, we demonstrate the practicality and effectiveness of our proposed estimators in measuring the AAA.


Copula-Based Density Estimation Models for Multivariate Zero-Inflated Continuous Data

arXiv.org Machine Learning

Zero-inflated continuous data ubiquitously appear in many fields, in which lots of exactly zero-valued data are observed while others distribute continuously. Due to the mixed structure of discreteness and continuity in its distribution, statistical analysis is challenging especially for multivariate case. In this paper, we propose two copula-based density estimation models that can cope with multivariate correlation among zero-inflated continuous variables. In order to overcome the difficulty in the use of copulas due to the tied-data problem in zero-inflated data, we propose a new type of copula, rectified Gaussian copula, and present efficient methods for parameter estimation and likelihood computation. Numerical experiments demonstrates the superiority of our proposals compared to conventional density estimation methods.


Experimentation Platforms Meet Reinforcement Learning: Bayesian Sequential Decision-Making for Continuous Monitoring

arXiv.org Artificial Intelligence

With the growing needs of online A/B testing to support the innovation in industry, the opportunity cost of running an experiment becomes non-negligible. Therefore, there is an increasing demand for an efficient continuous monitoring service that allows early stopping when appropriate. Classic statistical methods focus on hypothesis testing and are mostly developed for traditional high-stake problems such as clinical trials, while experiments at online service companies typically have very different features and focuses. Motivated by the real needs, in this paper, we introduce a novel framework that we developed in Amazon to maximize customer experience and control opportunity cost. We formulate the problem as a Bayesian optimal sequential decision making problem that has a unified utility function. We discuss extensively practical design choices and considerations. We further introduce how to solve the optimal decision rule via Reinforcement Learning and scale the solution. We show the effectiveness of this novel approach compared with existing methods via a large-scale meta-analysis on experiments in Amazon.


Function Approximation for Solving Stackelberg Equilibrium in Large Perfect Information Games

arXiv.org Artificial Intelligence

Function approximation (FA) has been a critical component in solving large zero-sum games. Yet, little attention has been given towards FA in solving \textit{general-sum} extensive-form games, despite them being widely regarded as being computationally more challenging than their fully competitive or cooperative counterparts. A key challenge is that for many equilibria in general-sum games, no simple analogue to the state value function used in Markov Decision Processes and zero-sum games exists. In this paper, we propose learning the \textit{Enforceable Payoff Frontier} (EPF) -- a generalization of the state value function for general-sum games. We approximate the optimal \textit{Stackelberg extensive-form correlated equilibrium} by representing EPFs with neural networks and training them by using appropriate backup operations and loss functions. This is the first method that applies FA to the Stackelberg setting, allowing us to scale to much larger games while still enjoying performance guarantees based on FA error. Additionally, our proposed method guarantees incentive compatibility and is easy to evaluate without having to depend on self-play or approximate best-response oracles.


Bayesian Optimization with Informative Covariance

arXiv.org Artificial Intelligence

Bayesian optimization is a methodology for global optimization of unknown and expensive objectives. It combines a surrogate Bayesian regression model with an acquisition function to decide where to evaluate the objective. Typical regression models are given by Gaussian processes with stationary covariance functions. However, these functions are unable to express prior input-dependent information, including possible locations of the optimum. The ubiquity of stationary models has led to the common practice of exploiting prior information via informative mean functions. In this paper, we highlight that these models can perform poorly, especially in high dimensions. We propose novel informative covariance functions for optimization, leveraging nonstationarity to encode preferences for certain regions of the search space and adaptively promote local exploration during optimization. We demonstrate that the proposed functions can increase the sample efficiency of Bayesian optimization in high dimensions, even under weak prior information.


Bayesian neural networks via MCMC: a Python-based tutorial

arXiv.org Artificial Intelligence

Bayesian inference provides a methodology for parameter estimation and uncertainty quantification in machine learning and deep learning methods. Variational inference and Markov Chain Monte-Carlo (MCMC) sampling techniques are used to implement Bayesian inference. In the past three decades, MCMC methods have faced a number of challenges in being adapted to larger models (such as in deep learning) and big data problems. Advanced proposals that incorporate gradients, such as a Langevin proposal distribution, provide a means to address some of the limitations of MCMC sampling for Bayesian neural networks. Furthermore, MCMC methods have typically been constrained to use by statisticians and are still not prominent among deep learning researchers. We present a tutorial for MCMC methods that covers simple Bayesian linear and logistic models, and Bayesian neural networks. The aim of this tutorial is to bridge the gap between theory and implementation via coding, given a general sparsity of libraries and tutorials to this end. This tutorial provides code in Python with data and instructions that enable their use and extension. We provide results for some benchmark problems showing the strengths and weaknesses of implementing the respective Bayesian models via MCMC. We highlight the challenges in sampling multi-modal posterior distributions in particular for the case of Bayesian neural networks, and the need for further improvement of convergence diagnosis.


Towards Understanding the Mechanism of Contrastive Learning via Similarity Structure: A Theoretical Analysis

arXiv.org Artificial Intelligence

Contrastive learning is an efficient approach to self-supervised representation learning. Although recent studies have made progress in the theoretical understanding of contrastive learning, the investigation of how to characterize the clusters of the learned representations is still limited. In this paper, we aim to elucidate the characterization from theoretical perspectives. To this end, we consider a kernel-based contrastive learning framework termed Kernel Contrastive Learning (KCL), where kernel functions play an important role when applying our theoretical results to other frameworks. We introduce a formulation of the similarity structure of learned representations by utilizing a statistical dependency viewpoint. We investigate the theoretical properties of the kernel-based contrastive loss via this formulation. We first prove that the formulation characterizes the structure of representations learned with the kernel-based contrastive learning framework. We show a new upper bound of the classification error of a downstream task, which explains that our theory is consistent with the empirical success of contrastive learning. We also establish a generalization error bound of KCL. Finally, we show a guarantee for the generalization ability of KCL to the downstream classification task via a surrogate bound.