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Bayesian Probabilistic Numerical Methods (1702.03673v2)

Published 13 Feb 2017 in stat.ME, cs.NA, math.NA, math.ST, stat.CO, and stat.TH

Abstract: The emergent field of probabilistic numerics has thus far lacked clear statistical principals. This paper establishes Bayesian probabilistic numerical methods as those which can be cast as solutions to certain inverse problems within the Bayesian framework. This allows us to establish general conditions under which Bayesian probabilistic numerical methods are well-defined, encompassing both non-linear and non-Gaussian models. For general computation, a numerical approximation scheme is proposed and its asymptotic convergence established. The theoretical development is then extended to pipelines of computation, wherein probabilistic numerical methods are composed to solve more challenging numerical tasks. The contribution highlights an important research frontier at the interface of numerical analysis and uncertainty quantification, with a challenging industrial application presented.

Citations (161)

Summary

  • The paper establishes a rigorous Bayesian framework for probabilistic numerical methods, addressing uncertainty quantification in numerical computation.
  • Bayesian PNMs frame numerical tasks as inverse problems, quantifying error with probability distributions and using concepts like the disintegration theorem.
  • The framework extends to computational pipelines, demonstrating error propagation through linked tasks and accommodating non-linear and non-Gaussian models.

An Essay on Bayesian Probabilistic Numerical Methods

The paper "Bayesian Probabilistic Numerical Methods" by Jon Cockayne, Chris Oates, Tim Sullivan, and Mark Girolami addresses the development and formalization of probabilistic numerics through a Bayesian framework, providing a rigorous foundation for Bayesian Probabilistic Numerical Methods (PNMs). Probabilistic numerics is an emerging field that aims to quantify uncertainty and error in numerical methods, bridging the gap between numerical analysis and statistical principles. This paper articulates a comprehensive structure for PNMs, encompassing both theoretical and practical implications, particularly for handling computational pipelines.

Overview of Bayesian PNMs

The primary contribution of the paper is establishing Bayesian PNMs as a solution to inverse problems within the Bayesian paradigm. This is accomplished through defining mathematical formulations and conditions under which these methods are well-defined. Bayesian PNMs are characterized by their ability to provide a distribution over the quantity of interest rather than deterministic estimates, allowing for probabilistic error quantification.

To illustrate the concepts, the authors consider a simple numerical integration problem and expand to more complex settings such as partial differential equations (PDEs). Through various examples, including probabilistic integration, meshless methods for PDEs, and solving ordinary differential equations (ODEs), the authors present the application of PNMs for different mathematical tasks. The paper further extends the foundational framework to accommodate non-linear and non-Gaussian models.

Theoretical Foundations and Computational Implications

The paper explores the theoretical underpinnings of Bayesian PNMs, formally defining the infrastructure necessary for their application. It relies on the disintegration theorem for establishing conditional distributions in infinite-dimensional spaces, which is pivotal for defining which PNMs can be considered Bayesian.

One of the major theoretical advances is the characterization of optimal information through a decision-theoretic lens, enabling comparisons with classical numerical methods. The authors argue that Bayesian PNMs, while providing richer informational output, often incur higher Bayes risks than their deterministic counterparts given the additional uncertainty they model.

Computational Pipelines and Future Directions

A significant aspect of the paper is its exploration of pipelines and the composition of multiple PNMs. Pipelines are defined as directed acyclic graphs, representing the flow of computations where the output of one PNM serves as input to another. The paper establishes coherence conditions under which pipelines retain their Bayesian interpretation, making them suitable for complex systems like industrial process monitoring and hydrocyclone performance evaluation.

Through methodical experimentation with linear PDEs, nonlinear ODEs, and real-world applications, the paper demonstrates how error due to discretization propagates through computational tasks, a crucial consideration for large-scale numerical applications.

Conclusions and Implications

The exploration put forth in this paper stands as a substantial framework upon which future research in probabilistic numerics can be constructed. By providing theoretical rigor and extending PNMs to pipelines, it opens avenues for further developments such as adaptive algorithms and random information operators. The implications of this work are significant for incorporating statistical error models directly into numerical methods, ultimately contributing to the enhancement of predictiveness and reliability in scientific computing.

The paper aptly lays ground for deeper interrogation of prior specification in Bayesian frameworks, understanding impact of various prior choices on PNMs, and the robustness in computational and inference outcomes. Further studies are invited to deepen understanding in this domain and optimize computational strategies without sacrificing the richness of probabilistic interpretations.