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Fuel-flexible, low-carbon combustion systems need to accommodate methane/hydrogen mixtures with air and exhaust-gas dilution. To develop these, we require accurate and efficient correlations for laminar flame speed (LFS). In this work, we…

Multiscale topology optimization is crucial for designing porous infill structures with high stiffness-to-weight ratios and excellent energy absorption. Although gradient-based methods provide a rigorous framework, they are computationally…

Optimization and Control · Mathematics 2025-10-13 Shuzhi Xu , Yifan Guo , Hiroki Kawabe , Kentaro Yaji

Bayesian optimization (BO) is an effective paradigm for the optimization of expensive-to-sample systems. Standard BO learns the performance of a system $f(x)$ by using a Gaussian Process (GP) model; this treats the system as a black-box and…

Machine Learning · Statistics 2025-01-03 Leonardo D. González , Victor M. Zavala

In this paper, a synergistic computational/experimental approach is presented for the rapid discovery and characterization of novel alloys within the compositionally complex (i.e., "medium/high entropy") refractory alloy space of…

Laplace Neural Operators (LNOs) have recently emerged as a promising approach in scientific machine learning due to the ability to learn nonlinear maps between functional spaces. However, this framework often requires substantial amounts of…

Machine Learning · Computer Science 2025-02-04 Haoyang Zheng , Guang Lin

High-fidelity simulations of laser welding capture complex thermo-fluid phenomena, including phase change, free-surface deformation, and keyhole dynamics, however their computational cost limits large-scale process exploration and real-time…

Machine Learning · Computer Science 2026-04-01 Alix Benoit , Toni Ivas , Mateusz Papierz , Asel Sagingalieva , Alexey Melnikov , Elia Iseli

Physics simulations like computational fluid dynamics (CFD) are a computational bottleneck in computer-aided design (CAD) optimization processes. To overcome this bottleneck, one requires either an optimization framework that is highly…

Machine Learning · Computer Science 2024-08-29 Harsh Vardhan , David Hyde , Umesh Timalsina , Peter Volgyesi , Janos Sztipanovits

Inertial Confinement Fusion (ICF) holds transformative promise for sustainable, near-limitless clean energy, yet remains constrained by prohibitively high costs and limited experimental opportunities. This paper presents Human-in-the-Loop…

High-fidelity computational fluid dynamics (CFD) is widely used for thermal-fluid design, but repeated CFD solves remain expensive for design optimization, uncertainty analysis, and digital-twin workflows. Recently, our team has…

Fluid Dynamics · Physics 2026-05-28 Daniel Curl , Han Hu

Open-loop control of laser powder bed fusion (LPBF) additive manufacturing (AM) has enabled the production of complex, high-criticality parts for various industries. This method relies on static parameter sets from extensive experimentation…

Systems and Control · Electrical Eng. & Systems 2024-06-28 Baris Kavas , Efe C. Balta , Michael R. Tucker , Raamadaas Krishnadas , Alisa Rupenyan , John Lygeros , Markus Bambach

In complex real-world settings, optimization is challenged by the presence of diverse models of differing fidelity. In many optimization problems, a single model is treated as the most accurate representation of the underlying system, while…

Machine Learning · Statistics 2026-05-07 Danielle F. Morey , Giulia Pedrielli , Cherry Y. Wakayama , Zelda B. Zabinsky

In this paper, we introduce a benchmarking framework within the open-source NVIDIA PhysicsNeMo-CFD framework designed to systematically assess the accuracy, performance, scalability, and generalization capabilities of AI models for…

This article proposes a novel high-performance computing approach for the prediction of the temperature field in powder bed fusion (PBF) additive manufacturing processes. In contrast to many existing approaches to part-scale simulations,…

Computational Engineering, Finance, and Science · Computer Science 2023-09-18 Sebastian D. Proell , Peter Munch , Martin Kronbichler , Wolfgang A. Wall , Christoph Meier

Scientific discovery is increasingly constrained by costly experiments and limited resources, underscoring the need for efficient optimization in AI for science. Bayesian Optimization (BO), though widely adopted for balancing exploration…

Artificial Intelligence · Computer Science 2026-05-19 Xinzhe Yuan , Zhuo Chen , Jianshu Zhang , Huan Xiong , Nanyang Ye , Yuqiang Li , Qinying Gu

We propose a multi-fidelity Bayesian emulator for the analysis of the Weather Research and Forecasting (WRF) model when the available simulations are not generated based on hierarchically nested experimental design. The proposed procedure,…

Methodology · Statistics 2019-10-18 Bledar A. Konomi , Georgios Karagiannis

We study optimal sensor placement for Bayesian state estimation problems in which sensors vary in cost and fidelity, resulting in a budget-constrained multifidelity optimal experimental design problem. Sensor placement optimality is…

Numerical Analysis · Mathematics 2026-02-10 Gabriela Ramon , Geena Sarnoski , Vasishta Tumuluri , Hugo Díaz , Arvind K. Saibaba

Automatic controller tuning is attractive for robotics and mechatronic systems whose dynamics are difficult to model accurately, but direct black-box optimization can be unsafe because each query is executed on the physical plant. Existing…

Robotics · Computer Science 2026-05-15 Hongxuan Wang , Xiaocong Li , Lihao Zheng , Adrish Bhaumik , Prahlad Vadakkepat

Database Management Systems (DBMSs) are fundamental for managing large-scale and heterogeneous data, and their performance is critically influenced by configuration parameters. Effective tuning of these parameters is essential for adapting…

Machine Learning · Computer Science 2025-11-03 Sein Kwon , Seulgi Baek , Hyunseo Yang , Youngwan Jo , Sanghyun Park

Bayesian Optimization (BO) is a class of black-box, surrogate-based heuristics that can efficiently optimize problems that are expensive to evaluate, and hence admit only small evaluation budgets. BO is particularly popular for solving…

Machine Learning · Computer Science 2024-06-25 Maria Laura Santoni , Elena Raponi , Renato De Leone , Carola Doerr

In robotics, optimizing controller parameters under safety constraints is an important challenge. Safe Bayesian optimization (BO) quantifies uncertainty in the objective and constraints to safely guide exploration in such settings.…

Machine Learning · Computer Science 2023-06-13 Jonas Rothfuss , Christopher Koenig , Alisa Rupenyan , Andreas Krause