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 Bayesian Inference


Bayesian Cram\'er-Rao Bound Estimation with Score-Based Models

arXiv.org Machine Learning

The Bayesian Cram\'er-Rao bound (CRB) provides a lower bound on the error of any Bayesian estimator under mild regularity conditions. It can be used to benchmark the performance of estimators, and provides a principled design metric for guiding system design and optimization. However, the Bayesian CRB depends on the prior distribution, which is often unknown for many problems of interest. This work develops a new data-driven estimator for the Bayesian CRB using score matching, a statistical estimation technique, to model the prior distribution. The performance of the estimator is analyzed in both the classical parametric modeling regime and the neural network modeling regime. In both settings, we develop novel non-asymptotic bounds on the score matching error and our Bayesian CRB estimator. Our proofs build on results from empirical process theory, including classical bounds and recently introduced techniques for characterizing neural networks, to address the challenges of bounding the score matching error. The performance of the estimator is illustrated empirically on a denoising problem example with a Gaussian mixture prior.


FOSA: Full Information Maximum Likelihood (FIML) Optimized Self-Attention Imputation for Missing Data

arXiv.org Artificial Intelligence

Effectively addressing missing values in data imputation is pivotal, particularly for intricate datasets. This study delves into the full information maximum likelihood (FIML) optimized self-attention (FOSA) framework, an innovative approach that amalgamates the strengths of FIML estimation with the capabilities of self-attention neural networks. Our methodology begins with an initial estimation of missing values via FIML, which is subsequently refined by leveraging the self-attention mechanism. Our comprehensive experiments on both simulated and real-world datasets underscore the pronounced advantages of FOSA over traditional FIML techniques, including encapsulating facets of accuracy, computational efficiency, and adaptability to diverse data structures. Intriguingly, even in cases where the structural equation model can be misspecified, leading to sub-optimal FIML estimates, the robust architecture of the FOSA self-attention component adeptly rectifies and optimizes the imputation outcomes. Our empirical tests reveal that FOSA consistently delivers commendable predictions even for approximately 40% random missingness, highlighting its robustness and potential for wide-scale applications in data imputation.


Nonparametric plug-in classifier for multiclass classification of S.D.E. paths

arXiv.org Machine Learning

We study the multiclass classification problem where the features come from the mixture of time-homogeneous diffusions. Specifically, the classes are discriminated by their drift functions while the diffusion coefficient is common to all classes and unknown. In this framework, we build a plug-in classifier which relies on nonparametric estimators of the drift and diffusion functions. We first establish the consistency of our classification procedure under mild assumptions and then provide rates of cnvergence under different set of assumptions. Finally, a numerical study supports our theoretical findings.


Entropic Matching for Expectation Propagation of Markov Jump Processes

arXiv.org Machine Learning

This paper addresses the problem of statistical inference for latent continuous-time stochastic processes, which is often intractable, particularly for discrete state space processes described by Markov jump processes. To overcome this issue, we propose a new tractable inference scheme based on an entropic matching framework that can be embedded into the well-known expectation propagation algorithm. We demonstrate the effectiveness of our method by providing closed-form results for a simple family of approximate distributions and apply it to the general class of chemical reaction networks, which are a crucial tool for modeling in systems biology. Moreover, we derive closed form expressions for point estimation of the underlying parameters using an approximate expectation maximization procedure. We evaluate the performance of our method on various chemical reaction network instantiations, including a stochastic Lotka-Voltera example, and discuss its limitations and potential for future improvements. Our proposed approach provides a promising direction for addressing complex continuous-time Bayesian inference problems.


Robust leave-one-out cross-validation for high-dimensional Bayesian models

arXiv.org Machine Learning

Leave-one-out cross-validation (LOO-CV) is a popular method for estimating out-of-sample predictive accuracy. However, computing LOO-CV criteria can be computationally expensive due to the need to fit the model multiple times. In the Bayesian context, importance sampling provides a possible solution but classical approaches can easily produce estimators whose asymptotic variance is infinite, making them potentially unreliable. Here we propose and analyze a novel mixture estimator to compute Bayesian LOO-CV criteria. Our method retains the simplicity and computational convenience of classical approaches, while guaranteeing finite asymptotic variance of the resulting estimators. Both theoretical and numerical results are provided to illustrate the improved robustness and efficiency. The computational benefits are particularly significant in high-dimensional problems, allowing to perform Bayesian LOO-CV for a broader range of models, and datasets with highly influential observations. The proposed methodology is easily implementable in standard probabilistic programming software and has a computational cost roughly equivalent to fitting the original model once.


Causal Graph Discovery from Self and Mutually Exciting Time Series

arXiv.org Artificial Intelligence

We present a generalized linear structural causal model, coupled with a novel data-adaptive linear regularization, to recover causal directed acyclic graphs (DAGs) from time series. By leveraging a recently developed stochastic monotone Variational Inequality (VI) formulation, we cast the causal discovery problem as a general convex optimization. Furthermore, we develop a non-asymptotic recovery guarantee and quantifiable uncertainty by solving a linear program to establish confidence intervals for a wide range of non-linear monotone link functions. We validate our theoretical results and show the competitive performance of our method via extensive numerical experiments. Most importantly, we demonstrate the effectiveness of our approach in recovering highly interpretable causal DAGs over Sepsis Associated Derangements (SADs) while achieving comparable prediction performance to powerful ``black-box'' models such as XGBoost. Thus, the future adoption of our proposed method to conduct continuous surveillance of high-risk patients by clinicians is much more likely.


A Comprehensive Review of Community Detection in Graphs

arXiv.org Artificial Intelligence

The study of complex networks has significantly advanced our understanding of community structures which serves as a crucial feature of real-world graphs. Detecting communities in graphs is a challenging problem with applications in sociology, biology, and computer science. Despite the efforts of an interdisciplinary community of scientists, a satisfactory solution to this problem has not yet been achieved. This review article delves into the topic of community detection in graphs, which serves as a crucial role in understanding the organization and functioning of complex systems. We begin by introducing the concept of community structure, which refers to the arrangement of vertices into clusters, with strong internal connections and weaker connections between clusters. Then, we provide a thorough exposition of various community detection methods, including a new method designed by us. Additionally, we explore real-world applications of community detection in diverse networks. In conclusion, this comprehensive review provides a deep understanding of community detection in graphs. It serves as a valuable resource for researchers and practitioners in multiple disciplines, offering insights into the challenges, methodologies, and applications of community detection in complex networks.


Pseudo Label Selection is a Decision Problem

arXiv.org Machine Learning

Pseudo-Labeling is a simple and effective approach to semi-supervised learning. It requires criteria that guide the selection of pseudo-labeled data. The latter have been shown to crucially affect pseudo-labeling's generalization performance. Several such criteria exist and were proven to work reasonably well in practice. However, their performance often depends on the initial model fit on labeled data. Early overfitting can be propagated to the final model by choosing instances with overconfident but wrong predictions, often called confirmation bias. In two recent works, we demonstrate that pseudo-label selection (PLS) can be naturally embedded into decision theory. This paves the way for BPLS, a Bayesian framework for PLS that mitigates the issue of confirmation bias. At its heart is a novel selection criterion: an analytical approximation of the posterior predictive of pseudo-samples and labeled data. We derive this selection criterion by proving Bayes-optimality of this "pseudo posterior predictive". We empirically assess BPLS for generalized linear, non-parametric generalized additive models and Bayesian neural networks on simulated and real-world data. When faced with data prone to overfitting and thus a high chance of confirmation bias, BPLS outperforms traditional PLS methods. The decision-theoretic embedding further allows us to render PLS more robust towards the involved modeling assumptions. To achieve this goal, we introduce a multi-objective utility function. We demonstrate that the latter can be constructed to account for different sources of uncertainty and explore three examples: model selection, accumulation of errors and covariate shift.


Autonomous Vehicles an overview on system, cyber security, risks, issues, and a way forward

arXiv.org Artificial Intelligence

This chapter explores the complex realm of autonomous cars, analyzing their fundamental components and operational characteristics. The initial phase of the discussion is elucidating the internal mechanics of these automobiles, encompassing the crucial involvement of sensors, artificial intelligence (AI) identification systems, control mechanisms, and their integration with cloud-based servers within the framework of the Internet of Things (IoT). It delves into practical implementations of autonomous cars, emphasizing their utilization in forecasting traffic patterns and transforming the dynamics of transportation. The text also explores the topic of Robotic Process Automation (RPA), illustrating the impact of autonomous cars on different businesses through the automation of tasks. The primary focus of this investigation lies in the realm of cybersecurity, specifically in the context of autonomous vehicles. A comprehensive analysis will be conducted to explore various risk management solutions aimed at protecting these vehicles from potential threats including ethical, environmental, legal, professional, and social dimensions, offering a comprehensive perspective on their societal implications. A strategic plan for addressing the challenges and proposing strategies for effectively traversing the complex terrain of autonomous car systems, cybersecurity, hazards, and other concerns are some resources for acquiring an understanding of the intricate realm of autonomous cars and their ramifications in contemporary society, supported by a comprehensive compilation of resources for additional investigation. Keywords: RPA, Cyber Security, AV, Risk, Smart Cars


Improved Techniques for Maximum Likelihood Estimation for Diffusion ODEs

arXiv.org Artificial Intelligence

Diffusion models have exhibited excellent performance in various domains. The probability flow ordinary differential equation (ODE) of diffusion models (i.e., diffusion ODEs) is a particular case of continuous normalizing flows (CNFs), which enables deterministic inference and exact likelihood evaluation. However, the likelihood estimation results by diffusion ODEs are still far from those of the state-of-the-art likelihood-based generative models. In this work, we propose several improved techniques for maximum likelihood estimation for diffusion ODEs, including both training and evaluation perspectives. For training, we propose velocity parameterization and explore variance reduction techniques for faster convergence. We also derive an error-bounded high-order flow matching objective for finetuning, which improves the ODE likelihood and smooths its trajectory. For evaluation, we propose a novel training-free truncated-normal dequantization to fill the training-evaluation gap commonly existing in diffusion ODEs. Building upon these techniques, we achieve state-of-the-art likelihood estimation results on image datasets (2.56 on CIFAR-10, 3.43/3.69 on ImageNet-32) without variational dequantization or data augmentation. Code is available at \url{https://github.com/thu-ml/i-DODE}.