This content will become publicly available on April 2, 2025
- Award ID(s):
- 1921873
- PAR ID:
- 10543285
- Publisher / Repository:
- Taylor and Francis
- Date Published:
- Journal Name:
- Technometrics
- Volume:
- 66
- Issue:
- 2
- ISSN:
- 0040-1706
- Page Range / eLocation ID:
- 295 to 305
- Format(s):
- Medium: X
- Sponsoring Org:
- National Science Foundation
More Like this
-
A bstract We present a novel computational approach for extracting localized signals from smooth background distributions. We focus on datasets that can be naturally presented as binned integer counts, demonstrating our procedure on the CERN open dataset with the Higgs boson signature, from the ATLAS collaboration at the Large Hadron Collider. Our approach is based on Gaussian Process (GP) regression — a powerful and flexible machine learning technique which has allowed us to model the background without specifying its functional form explicitly and separately measure the background and signal contributions in a robust and reproducible manner. Unlike functional fits, our GP-regression-based approach does not need to be constantly updated as more data becomes available. We discuss how to select the GP kernel type, considering trade-offs between kernel complexity and its ability to capture the features of the background distribution. We show that our GP framework can be used to detect the Higgs boson resonance in the data with more statistical significance than a polynomial fit specifically tailored to the dataset. Finally, we use Markov Chain Monte Carlo (MCMC) sampling to confirm the statistical significance of the extracted Higgs signature.more » « less
-
Abstract Active learning is a subfield of machine learning that focuses on improving the data collection efficiency in expensive-to-evaluate systems. Active learning-applied surrogate modeling facilitates cost-efficient analysis of demanding engineering systems, while the existence of heterogeneity in underlying systems may adversely affect the performance. In this article, we propose the partitioned active learning that quantifies informativeness of new design points by circumventing heterogeneity in systems. The proposed method partitions the design space based on heterogeneous features and searches for the next design point with two systematic steps. The global searching scheme accelerates exploration by identifying the most uncertain subregion, and the local searching utilizes circumscribed information induced by the local Gaussian process (GP). We also propose Cholesky update-driven numerical remedies for our active learning to address the computational complexity challenge. The proposed method consistently outperforms existing active learning methods in three real-world cases with better prediction and computation time.
-
null (Ed.)Abstract Scientific and engineering problems often require the use of artificial intelligence to aid understanding and the search for promising designs. While Gaussian processes (GP) stand out as easy-to-use and interpretable learners, they have difficulties in accommodating big data sets, categorical inputs, and multiple responses, which has become a common challenge for a growing number of data-driven design applications. In this paper, we propose a GP model that utilizes latent variables and functions obtained through variational inference to address the aforementioned challenges simultaneously. The method is built upon the latent-variable Gaussian process (LVGP) model where categorical factors are mapped into a continuous latent space to enable GP modeling of mixed-variable data sets. By extending variational inference to LVGP models, the large training data set is replaced by a small set of inducing points to address the scalability issue. Output response vectors are represented by a linear combination of independent latent functions, forming a flexible kernel structure to handle multiple responses that might have distinct behaviors. Comparative studies demonstrate that the proposed method scales well for large data sets with over 104 data points, while outperforming state-of-the-art machine learning methods without requiring much hyperparameter tuning. In addition, an interpretable latent space is obtained to draw insights into the effect of categorical factors, such as those associated with “building blocks” of architectures and element choices in metamaterial and materials design. Our approach is demonstrated for machine learning of ternary oxide materials and topology optimization of a multiscale compliant mechanism with aperiodic microstructures and multiple materials.more » « less
-
Optimizing a black-box function that is expensive to evaluate emerges in a gamut of machine learning and artifcial intelligence applications including drug discovery, policy optimization in robotics, and hyperparameter tuning of learning models to list a few. Bayesian optimization (BO) provides a principled framework to fnd the global optimum of such functions using a limited number of function evaluations. BO relies on a statistical surrogate model to actively select new query points, that is typically captured by a Gaussian process (GP). Unlike most existing approaches that hinge on a single GP surrogate model with a pre-selected kernel function that may confne the expressiveness of the sought function especially under the limited evaluation budget, the present work puts forth a weighted ensemble of GPs as a surrogate model. Building on the advocated Gaussian mixture (GM) posterior, the EGP framework adapts to the most ftted surrogate model as data arrive on-the-fy, offering a richer function space. For the acquisition of next evaluation points, the EGP-based posterior is coupled with an adaptive expected improvement (EI) criterion to balance exploration and exploitation of the search space. Numerical tests on a set of benchmark synthetic functions and two robotic tasks, demonstrate the impressive benefts of the proposed approach.more » « less
-
An ensemble data-learning approach based on proper orthogonal decomposition (POD) and Galerkin projection (EnPOD-GP) is proposed for thermal simulations of multi-core CPUs to improve training efficiency and the model accuracy for a previously developed global POD-GP method (GPOD-GP). GPOD-GP generates one set of basis functions (or POD modes) to account for thermal behavior in response to variations in dynamic power maps (PMs) in the entire chip, which is computationally intensive to cover possible variations of all power sources. EnPOD-GP however acquires multiple sets of POD modes to significantly improve training efficiency and effectiveness, and its simulation accuracy is independent of any dynamic PM. Compared to finite element simulation, both GPOD-GP and EnPOD-GP offer a computational speedup over 3 orders of magnitude. For a processor with a small number of cores, GPOD-GP provides a more efficient approach. When high accuracy is desired and/or a processor with more cores is involved, EnPOD-GP is more preferable in terms of training effort and simulation accuracy and efficiency. Additionally, the error resulting from EnPOD-GP can be precisely predicted for any random spatiotemporal power excitation.more » « less