arXiv subjects

David M. Higdon

Publications and source records attributed to David M. Higdon.

4 recordsLinked to original sources

arXiv2026

Hierarchical Bayesian Calibration with Bayesian Committee Machine

Calibrating computational models to experimental data is a core task in applied statistics, especially in scientific domains, where physical experiments are costly and simulations play a central role in design and inference. Motivated by uncertainty quantification challenges in particle accelerator experiments, we develop and evaluate a Hierarchical Bayesian Calibration framework. In contrast to standard Bayesian calibration, certain inputs - such as beam injection amplitude - must be estimated separately for each experiment. We adopt the Kennedy-O'Hagan formulation and extend it with a hierarchical prior structure to model the distribution of experiment-specific calibration parameters, thus borrowing strength and improving generalisation across repeated experiments. A key methodological challenge arises from the need to evaluate a large number of forward simulations, which renders conventional Markov chain Monte Carlo approaches computationally prohibitive. To address this, we leverage the Bayesian Committee Machine as a scalable modelling strategy for Gaussian Process emulators. The BCM provides a principled divide-and-conquer approach, enabling parallel inference and reducing computational cost without requiring problem-specific tuning of the emulator approximation. Posterior sampling is performed using the No-U-Turn Sampler, supported by automatic differentiation in Julia, which removes the need for analytic gradient derivation and facilitates flexible model specification. We assess the proposed framework using established benchmark problems and simulated data from the Argonne Wakefield Accelerator. The results demonstrate substantial computational savings and robust calibration performance, highlighting the applicability of the method to large-scale scientific modelling problems.

stat.CO↗

arXiv2020

Discovery of Physics from Data: Universal Laws and Discrepancies

Machine learning (ML) and artificial intelligence (AI) algorithms are now being used to automate the discovery of physics principles and governing equations from measurement data alone. However, positing a universal physical law from data is challenging without simultaneously proposing an accompanying discrepancy model to account for the inevitable mismatch between theory and measurements. By revisiting the classic problem of modeling falling objects of different size and mass, we highlight a number of nuanced issues that must be addressed by modern data-driven methods for automated physics discovery. Specifically, we show that measurement noise and complex secondary physical mechanisms, like unsteady fluid drag forces, can obscure the underlying law of gravitation, leading to an erroneous model. We use the sparse identification of nonlinear dynamics (SINDy) method to identify governing equations for real-world measurement data and simulated trajectories. Incorporating into SINDy the assumption that each falling object is governed by a similar physical law is shown to improve the robustness of the learned models, but discrepancies between the predictions and observations persist due to subtleties in drag dynamics. This work highlights the fact that the naive application of ML/AI will generally be insufficient to infer universal physical laws without further modification.

cs.LG↗

arXiv2014

Calibration of Computational Models with Categorical Parameters and Correlated Outputs via Bayesian Smoothing Spline ANOVA

It has become commonplace to use complex computer models to predict outcomes in regions where data does not exist. Typically these models need to be calibrated and validated using some experimental data, which often consists of multiple correlated outcomes. In addition, some of the model parameters may be categorical in nature, such as a pointer variable to alternate models (or submodels) for some of the physics of the system. Here we present a general approach for calibration in such situations where an emulator of the computationally demanding models and a discrepancy term from the model to reality are represented within a Bayesian Smoothing Spline (BSS) ANOVA framework. The BSS-ANOVA framework has several advantages over the traditional Gaussian Process, including ease of handling categorical inputs and correlated outputs, and improved computational efficiency. Finally this framework is then applied to the problem that motivated its design; a calibration of a computational fluid dynamics model of a bubbling fluidized which is used as an absorber in a CO2 capture system.

stat.ME↗

arXiv2013

Parallel Bayesian Additive Regression Trees

Bayesian Additive Regression Trees (BART) is a Bayesian approach to flexible non-linear regression which has been shown to be competitive with the best modern predictive methods such as those based on bagging and boosting. BART offers some advantages. For example, the stochastic search Markov Chain Monte Carlo (MCMC) algorithm can provide a more complete search of the model space and variation across MCMC draws can capture the level of uncertainty in the usual Bayesian way. The BART prior is robust in that reasonable results are typically obtained with a default prior specification. However, the publicly available implementation of the BART algorithm in the R package BayesTree is not fast enough to be considered interactive with over a thousand observations, and is unlikely to even run with 50,000 to 100,000 observations. In this paper we show how the BART algorithm may be modified and then computed using single program, multiple data (SPMD) parallel computation implemented using the Message Passing Interface (MPI) library. The approach scales nearly linearly in the number of processor cores, enabling the practitioner to perform statistical inference on massive datasets. Our approach can also handle datasets too massive to fit on any single data repository.

stat.CO↗