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 Uncertainty


Alpha-VI DeepONet: A prior-robust variational Bayesian approach for enhancing DeepONets with uncertainty quantification

arXiv.org Artificial Intelligence

We introduce a novel deep operator network (DeepONet) framework that incorporates generalised variational inference (GVI) using R\'enyi's $\alpha$-divergence to learn complex operators while quantifying uncertainty. By incorporating Bayesian neural networks as the building blocks for the branch and trunk networks, our framework endows DeepONet with uncertainty quantification. The use of R\'enyi's $\alpha$-divergence, instead of the Kullback-Leibler divergence (KLD), commonly used in standard variational inference, mitigates issues related to prior misspecification that are prevalent in Variational Bayesian DeepONets. This approach offers enhanced flexibility and robustness. We demonstrate that modifying the variational objective function yields superior results in terms of minimising the mean squared error and improving the negative log-likelihood on the test set. Our framework's efficacy is validated across various mechanical systems, where it outperforms both deterministic and standard KLD-based VI DeepONets in predictive accuracy and uncertainty quantification. The hyperparameter $\alpha$, which controls the degree of robustness, can be tuned to optimise performance for specific problems. We apply this approach to a range of mechanics problems, including gravity pendulum, advection-diffusion, and diffusion-reaction systems. Our findings underscore the potential of $\alpha$-VI DeepONet to advance the field of data-driven operator learning and its applications in engineering and scientific domains.


CogNarr Ecosystem: Facilitating Group Cognition at Scale

arXiv.org Artificial Intelligence

Human groups of all sizes and kinds engage in deliberation, problem solving, strategizing, decision making, and more generally, cognition. Some groups are large, and that setting presents unique challenges. The small-group setting often involves face-to-face dialogue, but group cognition in the large-group setting typically requires some form of online interaction. New approaches are needed to facilitate the kind of rich communication and information processing that are required for effective, functional cognition in the online setting, especially for groups characterized by thousands to millions of participants who wish to share potentially complex, nuanced, and dynamic perspectives. This concept paper proposes the CogNarr (Cognitive Narrative) ecosystem, which is designed to facilitate functional cognition in the large-group setting. The paper's contribution is a novel vision as to how recent developments in cognitive science, artificial intelligence, natural language processing, and related fields might be scaled and applied to large-group cognition, using an approach that itself promotes further scientific advancement. A key perspective is to view a group as an organism that uses some form of cognitive architecture to sense the world, process information, remember, learn, predict, make decisions, and adapt to changing conditions. The CogNarr ecosystem is designed to serve as a component within that architecture.


Empirical Bayes Linked Matrix Decomposition

arXiv.org Artificial Intelligence

Data for several applications in diverse fields can be represented as multiple matrices that are linked across rows or columns. This is particularly common in molecular biomedical research, in which multiple molecular "omics" technologies may capture different feature sets (e.g., corresponding to rows in a matrix) and/or different sample populations (corresponding to columns). This has motivated a large body of work on integrative matrix factorization approaches that identify and decompose low-dimensional signal that is shared across multiple matrices or specific to a given matrix. We propose an empirical variational Bayesian approach to this problem that has several advantages over existing techniques, including the flexibility to accommodate shared signal over any number of row or column sets (i.e., bidimensional integration), an intuitive model-based objective function that yields appropriate shrinkage for the inferred signals, and a relatively efficient estimation algorithm with no tuning parameters. A general result establishes conditions for the uniqueness of the underlying decomposition for a broad family of methods that includes the proposed approach. For scenarios with missing data, we describe an associated iterative imputation approach that is novel for the single-matrix context and a powerful approach for "blockwise" imputation (in which an entire row or column is missing) in various linked matrix contexts. Extensive simulations show that the method performs very well under different scenarios with respect to recovering underlying low-rank signal, accurately decomposing shared and specific signals, and accurately imputing missing data. The approach is applied to gene expression and miRNA data from breast cancer tissue and normal breast tissue, for which it gives an informative decomposition of variation and outperforms alternative strategies for missing data imputation.


Algorithms for Collaborative Machine Learning under Statistical Heterogeneity

arXiv.org Artificial Intelligence

Learning from distributed data without accessing them is undoubtedly a challenging and non-trivial task. Nevertheless, the necessity for distributed training of a statistical model has been increasing, due to the privacy concerns of local data owners and the cost in centralizing the massively distributed data. Federated learning (FL) is currently the de facto standard of training a machine learning model across heterogeneous data owners, without leaving the raw data out of local silos. Nevertheless, several challenges must be addressed in order for FL to be more practical in reality. Among these challenges, the statistical heterogeneity problem is the most significant and requires immediate attention. From the main objective of FL, three major factors can be considered as starting points -- \textit{parameter}, textit{mixing coefficient}, and \textit{local data distributions}. In alignment with the components, this dissertation is organized into three parts. In Chapter II, a novel personalization method, \texttt{SuPerFed}, inspired by the mode-connectivity is introduced. In Chapter III, an adaptive decision-making algorithm, \texttt{AAggFF}, is introduced for inducing uniform performance distributions in participating clients, which is realized by online convex optimization framework. Finally, in Chapter IV, a collaborative synthetic data generation method, \texttt{FedEvg}, is introduced, leveraging the flexibility and compositionality of an energy-based modeling approach. Taken together, all of these approaches provide practical solutions to mitigate the statistical heterogeneity problem in data-decentralized settings, paving the way for distributed systems and applications using collaborative machine learning methods.


Gaussian Processes Sampling with Sparse Grids under Additive Schwarz Preconditioner

arXiv.org Machine Learning

Gaussian processes (GPs) are widely used in non-parametric Bayesian modeling, and play an important role in various statistical and machine learning applications. In a variety tasks of uncertainty quantification, generating random sample paths of GPs is of interest. As GP sampling requires generating high-dimensional Gaussian random vectors, it is computationally challenging if a direct method, such as the Cholesky decomposition, is used. In this paper, we propose a scalable algorithm for sampling random realizations of the prior and posterior of GP models. The proposed algorithm leverages inducing points approximation with sparse grids, as well as additive Schwarz preconditioners, which reduce computational complexity, and ensure fast convergence. We demonstrate the efficacy and accuracy of the proposed method through a series of experiments and comparisons with other recent works.


Transient anisotropic kernel for probabilistic learning on manifolds

arXiv.org Machine Learning

PLoM (Probabilistic Learning on Manifolds) is a method introduced in 2016 for handling small training datasets by projecting an It\^o equation from a stochastic dissipative Hamiltonian dynamical system, acting as the MCMC generator, for which the KDE-estimated probability measure with the training dataset is the invariant measure. PLoM performs a projection on a reduced-order vector basis related to the training dataset, using the diffusion maps (DMAPS) basis constructed with a time-independent isotropic kernel. In this paper, we propose a new ISDE projection vector basis built from a transient anisotropic kernel, providing an alternative to the DMAPS basis to improve statistical surrogates for stochastic manifolds with heterogeneous data. The construction ensures that for times near the initial time, the DMAPS basis coincides with the transient basis. For larger times, the differences between the two bases are characterized by the angle of their spanned vector subspaces. The optimal instant yielding the optimal transient basis is determined using an estimation of mutual information from Information Theory, which is normalized by the entropy estimation to account for the effects of the number of realizations used in the estimations. Consequently, this new vector basis better represents statistical dependencies in the learned probability measure for any dimension. Three applications with varying levels of statistical complexity and data heterogeneity validate the proposed theory, showing that the transient anisotropic kernel improves the learned probability measure.


Extended Fiducial Inference: Toward an Automated Process of Statistical Inference

arXiv.org Machine Learning

While fiducial inference was widely considered a big blunder by R.A. Fisher, the goal he initially set --`inferring the uncertainty of model parameters on the basis of observations' -- has been continually pursued by many statisticians. To this end, we develop a new statistical inference method called extended Fiducial inference (EFI). The new method achieves the goal of fiducial inference by leveraging advanced statistical computing techniques while remaining scalable for big data. EFI involves jointly imputing random errors realized in observations using stochastic gradient Markov chain Monte Carlo and estimating the inverse function using a sparse deep neural network (DNN). The consistency of the sparse DNN estimator ensures that the uncertainty embedded in observations is properly propagated to model parameters through the estimated inverse function, thereby validating downstream statistical inference. Compared to frequentist and Bayesian methods, EFI offers significant advantages in parameter estimation and hypothesis testing. Specifically, EFI provides higher fidelity in parameter estimation, especially when outliers are present in the observations; and eliminates the need for theoretical reference distributions in hypothesis testing, thereby automating the statistical inference process. EFI also provides an innovative framework for semi-supervised learning.


Persistent Sampling: Unleashing the Potential of Sequential Monte Carlo

arXiv.org Machine Learning

Sequential Monte Carlo (SMC) methods are powerful tools for Bayesian inference but suffer from requiring many particles for accurate estimates, leading to high computational costs. We introduce persistent sampling (PS), an extension of SMC that mitigates this issue by allowing particles from previous iterations to persist. This generates a growing, weighted ensemble of particles distributed across iterations. In each iteration, PS utilizes multiple importance sampling and resampling from the mixture of all previous distributions to produce the next generation of particles. This addresses particle impoverishment and mode collapse, resulting in more accurate posterior approximations. Furthermore, this approach provides lower-variance marginal likelihood estimates for model comparison. Additionally, the persistent particles improve transition kernel adaptation for efficient exploration. Experiments on complex distributions show that PS consistently outperforms standard methods, achieving lower squared bias in posterior moment estimation and significantly reduced marginal likelihood errors, all at a lower computational cost. PS offers a robust, efficient, and scalable framework for Bayesian inference.


Extending choice assessments to choice functions: An algorithm for computing the natural extension

arXiv.org Artificial Intelligence

This leads to a single optimal decision, or a set of optimal decisions all of which are equivalent. In the theory of imprecise probabilities, where multiple probabilistic models are considered simultaneously, this decision rule can be generalised in multiple ways; Troffaes [1] provides a nice overview. A typical feature of the resulting decision rules is that they will not always yield a single optimal decision, as a decision that is optimal in one probability model may for example be suboptimal in another. We here take this generalisation yet another step further by adopting the theory of choice functions: a mathematical framework for decision-making that incorporates several (imprecise) decision rules as special cases, including the classical approach of maximising expected utility [2, 3, 4]. An important feature of this framework of choice functions is that it allows one to impose axioms directly on the decisions that are represented by such a choice function [3, 4, 5].


Industrial-Grade Smart Troubleshooting through Causal Technical Language Processing: a Proof of Concept

arXiv.org Artificial Intelligence

This paper describes the development of a causal diagnosis approach for troubleshooting an industrial environment on the basis of the technical language expressed in Return on Experience records. The proposed method leverages the vectorized linguistic knowledge contained in the distributed representation of a Large Language Model, and the causal associations entailed by the embedded failure modes and mechanisms of the industrial assets. The paper presents the elementary but essential concepts of the solution, which is conceived as a causality-aware retrieval augmented generation system, and illustrates them experimentally on a real-world Predictive Maintenance setting. Finally, it discusses avenues of improvement for the maturity of the utilized causal technology to meet the robustness challenges of increasingly complex scenarios in the industry.