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 Uncertainty


A Theory for Conditional Generative Modeling on Multiple Data Sources

arXiv.org Artificial Intelligence

The success of large generative models has driven a paradigm shift, leveraging massive multi-source data to enhance model capabilities. However, the interaction among these sources remains theoretically underexplored. This paper takes the first step toward a rigorous analysis of multi-source training in conditional generative modeling, where each condition represents a distinct data source. Specifically, we establish a general distribution estimation error bound in average total variation distance for conditional maximum likelihood estimation based on the bracketing number. Our result shows that when source distributions share certain similarities and the model is expressive enough, multi-source training guarantees a sharper bound than single-source training. We further instantiate the general theory on conditional Gaussian estimation and deep generative models including autoregressive and flexible energy-based models, by characterizing their bracketing numbers. The results highlight that the number of sources and similarity among source distributions improve the advantage of multi-source training. Simulations and real-world experiments validate our theory. Code is available at: \url{https://github.com/ML-GSAI/Multi-Source-GM}.


A Statistical Case Against Empirical Human-AI Alignment

arXiv.org Artificial Intelligence

Empirical human-AI alignment aims to make AI systems act in line with observed human behavior. While noble in its goals, we argue that empirical alignment can inadvertently introduce statistical biases that warrant caution. This position paper thus advocates against naive empirical alignment, offering prescriptive alignment and a posteriori empirical alignment as alternatives. We substantiate our principled argument by tangible examples like human-centric decoding of language models.


Inter-turbine Modelling of Wind-Farm Power using Multi-task Learning

arXiv.org Artificial Intelligence

Because of the global need to increase power production from renewable energy resources, developments in the online monitoring of the associated infrastructure is of interest to reduce operation and maintenance costs. However, challenges exist for data-driven approaches to this problem, such as incomplete or limited histories of labelled damage-state data, operational and environmental variability, or the desire for the quantification of uncertainty to support risk management. This work first introduces a probabilistic regression model for predicting wind-turbine power, which adjusts for wake effects learnt from data. Spatial correlations in the learned model parameters for different tasks (turbines) are then leveraged in a hierarchical Bayesian model (an approach to multi-task learning) to develop a "metamodel", which can be used to make power-predictions which adjust for turbine location - including on previously unobserved turbines not included in the training data. The results show that the metamodel is able to outperform a series of benchmark models, and demonstrates a novel strategy for making efficient use of data for inference in populations of structures, in particular where correlations exist in the variable(s) of interest (such as those from wind-turbine wake-effects).


Robust Information Selection for Hypothesis Testing with Misclassification Penalties

arXiv.org Machine Learning

We study the problem of robust information selection for a Bayesian hypothesis testing / classification task, where the goal is to identify the true state of the world from a finite set of hypotheses based on observations from the selected information sources. We introduce a novel misclassification penalty framework, which enables non-uniform treatment of different misclassification events. Extending the classical subset selection framework, we study the problem of selecting a subset of sources that minimize the maximum penalty of misclassification under a limited budget, despite deletions or failures of a subset of the selected sources. We characterize the curvature properties of the objective function and propose an efficient greedy algorithm with performance guarantees. Next, we highlight certain limitations of optimizing for the maximum penalty metric and propose a submodular surrogate metric to guide the selection of the information set. We propose a greedy algorithm with near-optimality guarantees for optimizing the surrogate metric. Finally, we empirically demonstrate the performance of our proposed algorithms in several instances of the information set selection problem.


Internal Incoherency Scores for Constraint-based Causal Discovery Algorithms

arXiv.org Machine Learning

Causal discovery aims to infer causal graphs from observational or experimental data. Methods such as the popular PC algorithm are based on conditional independence testing and utilize enabling assumptions, such as the faithfulness assumption, for their inferences. In practice, these assumptions, as well as the functional assumptions inherited from the chosen conditional independence test, are typically taken as a given and not further tested for their validity on the data. In this work, we propose internal coherency scores that allow testing for assumption violations and finite sample errors, whenever detectable without requiring ground truth or further statistical tests. We provide a complete classification of erroneous results, including a distinction between detectable and undetectable errors, and prove that the detectable erroneous results can be measured by our scores. We illustrate our coherency scores on the PC algorithm with simulated and real-world datasets, and envision that testing for internal coherency can become a standard tool in applying constraint-based methods, much like a suite of tests is used to validate the assumptions of classical regression analysis.


General Uncertainty Estimation with Delta Variances

arXiv.org Machine Learning

Decision makers may suffer from uncertainty induced by limited data. This may be mitigated by accounting for epistemic uncertainty, which is however challenging to estimate efficiently for large neural networks. To this extent we investigate Delta Variances, a family of algorithms for epistemic uncertainty quantification, that is computationally efficient and convenient to implement. It can be applied to neural networks and more general functions composed of neural networks. As an example we consider a weather simulator with a neural-network-based step function inside -- here Delta Variances empirically obtain competitive results at the cost of a single gradient computation. The approach is convenient as it requires no changes to the neural network architecture or training procedure. We discuss multiple ways to derive Delta Variances theoretically noting that special cases recover popular techniques and present a unified perspective on multiple related methods. Finally we observe that this general perspective gives rise to a natural extension and empirically show its benefit.


Confidence Estimation via Sequential Likelihood Mixing

arXiv.org Machine Learning

We present a universal framework for constructing confidence sets based on sequential likelihood mixing. Building upon classical results from sequential analysis, we provide a unifying perspective on several recent lines of work, and establish fundamental connections between sequential mixing, Bayesian inference and regret inequalities from online estimation. The framework applies to any realizable family of likelihood functions and allows for non-i.i.d. data and anytime validity. Moreover, the framework seamlessly integrates standard approximate inference techniques, such as variational inference and sampling-based methods, and extends to misspecified model classes, while preserving provable coverage guarantees. We illustrate the power of the framework by deriving tighter confidence sequences for classical settings, including sequential linear regression and sparse estimation, with simplified proofs.


Spectral decomposition-assisted multi-study factor analysis

arXiv.org Machine Learning

This article focuses on covariance estimation for multi-study data. Popular approaches employ factor-analytic terms with shared and study-specific loadings that decompose the variance into (i) a shared low-rank component, (ii) study-specific low-rank components, and (iii) a diagonal term capturing idiosyncratic variability. Our proposed methodology estimates the latent factors via spectral decompositions and infers the factor loadings via surrogate regression tasks, avoiding identifiability and computational issues of existing alternatives. Reliably inferring shared vs study-specific components requires novel developments that are of independent interest. The approximation error decreases as the sample size and the data dimension diverge, formalizing a blessing of dimensionality. Conditionally on the factors, loadings and residual error variances are inferred via conjugate normal-inverse gamma priors. The conditional posterior distribution of factor loadings has a simple product form across outcomes, facilitating parallelization. We show favorable asymptotic properties, including central limit theorems for point estimators and posterior contraction, and excellent empirical performance in simulations. The methods are applied to integrate three studies on gene associations among immune cells.


Generalization Certificates for Adversarially Robust Bayesian Linear Regression

arXiv.org Machine Learning

Adversarial robustness of machine learning models is critical to ensuring reliable performance under data perturbations. Recent progress has been on point estimators, and this paper considers distributional predictors. First, using the link between exponential families and Bregman divergences, we formulate an adversarial Bregman divergence loss as an adversarial negative log-likelihood. Using the geometric properties of Bregman divergences, we compute the adversarial perturbation for such models in closed-form. Second, under such losses, we introduce \emph{adversarially robust posteriors}, by exploiting the optimization-centric view of generalized Bayesian inference. Third, we derive the \emph{first} rigorous generalization certificates in the context of an adversarial extension of Bayesian linear regression by leveraging the PAC-Bayesian framework. Finally, experiments on real and synthetic datasets demonstrate the superior robustness of the derived adversarially robust posterior over Bayes posterior, and also validate our theoretical guarantees.


Identifying metric structures of deep latent variable models

arXiv.org Machine Learning

Deep latent variable models learn condensed representations of data that, hopefully, reflect the inner workings of the studied phenomena. Unfortunately, these latent representations are not statistically identifiable, meaning they cannot be uniquely determined. Domain experts, therefore, need to tread carefully when interpreting these. Current solutions limit the lack of identifiability through additional constraints on the latent variable model, e.g. by requiring labeled training data, or by restricting the expressivity of the model. We change the goal: instead of identifying the latent variables, we identify relationships between them such as meaningful distances, angles, and volumes. We prove this is feasible under very mild model conditions and without additional labeled data. We empirically demonstrate that our theory results in more reliable latent distances, offering a principled path forward in extracting trustworthy conclusions from deep latent variable models.