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The reliability of atomistic simulations depends on the quality of the underlying energy models providing the source of physical information, for instance for the calculation of migration barriers in atomistic Kinetic Monte Carlo…

Deep reinforcement learning (RL) is a powerful approach to complex decision making. However, one issue that limits its practical application is its brittleness, sometimes failing to train in the presence of small changes in the environment.…

Machine Learning · Computer Science 2025-01-27 Jung-Hoon Cho , Vindula Jayawardana , Sirui Li , Cathy Wu

Bayesian optimization (BO) is a sequential optimization strategy that is increasingly employed in a wide range of areas including materials design. In real world applications, acquiring high-fidelity (HF) data through physical experiments…

Machine Learning · Computer Science 2023-09-07 Zahra Zanjani Foumani , Amin Yousefpour , Mehdi Shishehbor , Ramin Bostanabad

Multifidelity approximation is an important technique in scientific computation and simulation. In this paper, we introduce a bandit-learning approach for leveraging data of varying fidelities to achieve precise estimates of the parameters…

Numerical Analysis · Mathematics 2022-02-22 Yiming Xu , Vahid Keshavarzzadeh , Robert M. Kirby , Akil Narayan

Uncertainties in a structure is inevitable, which generally lead to variation in dynamic response predictions. For a complex structure, brute force Monte Carlo simulation for response variation analysis is infeasible since one single run…

Machine Learning · Statistics 2020-05-08 Kai Zhou , Jiong Tang

Data-driven approaches such as deep learning can result in predictive models for material properties with exceptional accuracy and efficiency. However, in many applications, data is sparse, severely limiting their accuracy and…

Machine Learning · Computer Science 2025-10-29 Robert J Appleton , Brian C Barnes , Alejandro Strachan

In many applications in engineering and sciences analysts have simultaneous access to multiple data sources. In such cases, the overall cost of acquiring information can be reduced via data fusion or multi-fidelity (MF) modeling where one…

Machine Learning · Computer Science 2023-07-26 Carlos Mora , Jonathan Tammer Eweis-Labolle , Tyler Johnson , Likith Gadde , Ramin Bostanabad

Transductive inference is an effective means of tackling the data deficiency problem in few-shot learning settings. A popular transductive inference technique for few-shot metric-based approaches, is to update the prototype of each class…

Machine Learning · Computer Science 2020-06-25 Seong Min Kye , Hae Beom Lee , Hoirin Kim , Sung Ju Hwang

Fine-tuning pre-trained models for downstream tasks is a widely adopted technique known for its adaptability and reliability across various domains. Despite its conceptual simplicity, fine-tuning entails several troublesome engineering…

Artificial Intelligence · Computer Science 2024-12-30 Chaeyun Jang , Hyungi Lee , Jungtaek Kim , Juho Lee

This paper proposes a new class of real-time optimization schemes to overcome system-model mismatch of uncertain processes. This work's novelty lies in integrating derivative-free optimization schemes and multi-fidelity Gaussian processes…

Machine Learning · Computer Science 2021-11-11 Panagiotis Petsagkourakis , Benoit Chachuat , Ehecatl Antonio del Rio-Chanona

Machine-learning-based parameterizations (i.e. representation of sub-grid processes) of global climate models or turbulent simulations have recently been proposed as a powerful alternative to physical, but empirical, representations,…

Machine Learning · Computer Science 2023-09-20 Mohamed Aziz Bhouri , Liran Peng , Michael S. Pritchard , Pierre Gentine

In engineering design and scientific computing, computational cost and predictive accuracy are intrinsically coupled. High-fidelity simulations provide accurate predictions but at substantial computational costs, while lower-fidelity…

Machine Learning · Computer Science 2026-05-11 Ahmed Mohamed Eisa Nasr , Ali Elham , Haris Moazam Sheikh

Transfer learning is a machine learning paradigm where knowledge from one problem is utilized to solve a new but related problem. While conceivable that knowledge from one task could be useful for solving a related task, if not executed…

Machine Learning · Computer Science 2021-10-01 Xuetong Wu , Jonathan H. Manton , Uwe Aickelin , Jingge Zhu

Machine learning methods for computational imaging require uncertainty estimation to be reliable in real settings. While Bayesian models offer a computationally tractable way of recovering uncertainty, they need large data volumes to be…

Machine Learning · Computer Science 2020-08-24 Francesco Tonolini , Jack Radford , Alex Turpin , Daniele Faccio , Roderick Murray-Smith

A multi-fidelity (MF) active learning method is presented for design optimization problems characterized by noisy evaluations of the performance metrics. Namely, a generalized MF surrogate model is used for design-space exploration,…

Optimization and Control · Mathematics 2022-07-12 Riccardo Pellegrini , Jeroen Wackers , Riccardo Broglia , Andrea Serani , Michel Visonneau , Matteo Diez

Bayesian optimization (BO) is a popular framework to optimize black-box functions. In many applications, the objective function can be evaluated at multiple fidelities to enable a trade-off between the cost and accuracy. To reduce the…

Machine Learning · Computer Science 2020-12-11 Shibo Li , Wei Xing , Mike Kirby , Shandian Zhe

We present a novel probabilistic approach for generating multi-fidelity data while accounting for errors inherent in both low- and high-fidelity data. In this approach a graph Laplacian constructed from the low-fidelity data is used to…

Machine Learning · Computer Science 2025-12-01 Orazio Pinti , Jeremy M. Budd , Franca Hoffmann , Assad A. Oberai

Optimizing complex manufacturing processes often involves a trade-off between data accuracy and acquisition cost. High-fidelity data are accurate but limited, while low-fidelity data are abundant but often biased. Balancing these two…

Machine learning models are often implemented in cohort with humans in the pipeline, with the model having an option to defer to a domain expert in cases where it has low confidence in its inference. Our goal is to design mechanisms for…

Machine Learning · Computer Science 2021-12-14 Vijay Keswani , Matthew Lease , Krishnaram Kenthapadi

Computer simulations are becoming an essential tool in many scientific fields from molecular dynamics to aeronautics. In glaciology, future predictions of sea level change require input from ice sheet models. Due to uncertainties in the…

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