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Calibration of expensive computer models with high-dimensional output fields can be approached via history matching. If the entire output field is matched, with patterns or correlations between locations or time points represented,…

Methodology · Statistics 2022-10-03 James M Salter , Daniel B Williamson

Statistical design of experiments is widely used in scientific and industrial investigations. A generalized minimum aberration (GMA) orthogonal array is optimum under the well-established, so-called GMA criterion, and such an array can…

Computation · Statistics 2021-04-27 Dursun A. Bulutoglu , Kenneth J. Ryan

Motivated by the problem of optimization of force-field systems in physics using large-scale computer simulations, we consider exploration of a deterministic complex multivariate response surface. The objective is to find input combinations…

Machine Learning · Statistics 2021-09-15 Mert Y. Sengul , Yao Song , Linglin He , Adri C. T. van Duin , Ying Hung , Tirthankar Dasgupta

Space-filling designs are important in computer experiments, which are critical for building a cheap surrogate model that adequately approximates an expensive computer code. Many design construction techniques in the existing literature are…

Methodology · Statistics 2022-08-30 Chaofan Huang , V. Roshan Joseph , Douglas M. Ray

A feedforward neural network using rectified linear units constructs a mapping from inputs to outputs by partitioning its input space into a set of convex regions where points within a region share a single affine transformation. In order…

Machine Learning · Computer Science 2024-03-05 Sabrina Drammis , Bowen Zheng , Karthik Srinivasan , Robert C. Berwick , Nancy A. Lynch , Robert Ajemian

Metasurfaces are subwavelength-structured artificial media that can shape and localize electromagnetic waves in unique ways. The inverse design of these devices is a non-convex optimization problem in a high dimensional space, making global…

Computational Physics · Physics 2019-11-22 Jiaqi Jiang , Jonathan A. Fan

We consider the problem of propagating the uncertainty from a possibly large number of random inputs through a computationally expensive model. Stratified sampling is a well-known variance reduction strategy, but its application, thus far,…

Numerical Analysis · Mathematics 2026-03-06 Gianluca Geraci , Daniele E. Schiavazzi , Andrea Zanoni

Feature engineering plays an important role in the success of a machine learning model. Most of the effort in training a model goes into data preparation and choosing the right representation. In this paper, we propose a robust feature…

Machine Learning · Computer Science 2018-04-27 Namita Lokare , Jorge Silva , Ilknur Kaynar Kabul

Models of physics beyond the Standard Model often contain a large number of parameters. These form a high-dimensional space that is computationally intractable to fully explore. Experimental constraints project onto a subspace of viable…

High Energy Physics - Theory · Physics 2022-01-05 Jacob Hollingsworth , Michael Ratz , Philip Tanedo , Daniel Whiteson

This tutorial provides an in-depth guide on inference-time guidance and alignment methods for optimizing downstream reward functions in diffusion models. While diffusion models are renowned for their generative modeling capabilities,…

Artificial Intelligence · Computer Science 2025-01-22 Masatoshi Uehara , Yulai Zhao , Chenyu Wang , Xiner Li , Aviv Regev , Sergey Levine , Tommaso Biancalani

We implement a sample-efficient method for rapid and accurate emulation of semi-analytical galaxy formation models over a wide range of model outputs. We use ensembled deep learning algorithms to produce a fast emulator of an updated…

Astrophysics of Galaxies · Physics 2021-07-14 Edward J. Elliott , Carlton M. Baugh , Cedric G. Lacey

Modern generative AI models, such as diffusion and flow matching models, can sample from rich data distributions. However, many applications, especially in science and engineering, require more than drawing samples from the model…

Diffusion models are state-of-the-art generative models, yet their samples often fail to satisfy application objectives such as safety constraints or domain-specific validity. Existing techniques for alignment require gradients, internal…

In this paper, we further investigate the problem of selecting a set of design points for universal kriging, which is a widely used technique for spatial data analysis. Our goal is to select the design points in order to make simultaneous…

Methodology · Statistics 2024-01-18 Helmut Waldl , Werner G. Müller , Paula Camelia Trandafir

Reliable operation of wind turbines requires frequent inspections, as even minor surface damages can degrade aerodynamic performance, reduce energy output, and accelerate blade wear. Central to automating these inspections is the accurate…

Computer Vision and Pattern Recognition · Computer Science 2026-04-01 Raül Pérez-Gonzalo , Riccardo Magro , Andreas Espersen , Antonio Agudo

Space-filling designs are crucial for efficient computer experiments, enabling accurate surrogate modeling and uncertainty quantification in many scientific and engineering applications, such as digital twin systems and cyber-physical…

Methodology · Statistics 2025-08-06 Xinwei Deng , Lulu Kang , C. Devon Lin

Diffusion probabilistic models (DPMs) have shown remarkable performance in high-resolution image synthesis, but their sampling efficiency is still to be desired due to the typically large number of sampling steps. Recent advancements in…

Computer Vision and Pattern Recognition · Computer Science 2024-07-04 Shuchen Xue , Zhaoqiang Liu , Fei Chen , Shifeng Zhang , Tianyang Hu , Enze Xie , Zhenguo Li

We consider the problem of simultaneously clustering and learning a linear representation of data lying close to a union of low-dimensional manifolds, a fundamental task in machine learning and computer vision. When the manifolds are…

Machine Learning · Computer Science 2023-08-25 Tianjiao Ding , Shengbang Tong , Kwan Ho Ryan Chan , Xili Dai , Yi Ma , Benjamin D. Haeffele

In this study we address existing deficiencies in the literature on applications of Particle Swarm Optimization to generate optimal designs. We present the results of a large computer study in which we bench-mark both efficiency and…

Neural and Evolutionary Computing · Computer Science 2022-06-15 Stephen J. Walsh , John J. Borkowski

Many current and near-future applications of quantum computing utilise parametric families of quantum circuits and variational methods to find optimal values for these parameters. Solving a quantum computational problem with such…

Quantum Physics · Physics 2025-08-05 Tobias Hartung , Karl Jansen