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Machine-learning force fields enable an accurate and universal description of the potential energy surface of molecules and materials on the basis of a training set of ab initio data. However, large-scale applications of these methods rest…

Computational Physics · Physics 2023-07-25 Valerio Briganti , Alessandro Lunghi

To predict rare extreme events using deep neural networks, one encounters the so-called small data problem because even long-term observations often contain few extreme events. Here, we investigate a model-assisted framework where the…

Machine Learning · Computer Science 2022-04-20 Anna Asch , Ethan Brady , Hugo Gallardo , John Hood , Bryan Chu , Mohammad Farazmand

Highly accurate numerical or physical experiments are often time-consuming or expensive to obtain. When time or budget restrictions prohibit the generation of additional data, the amount of available samples may be too limited to provide…

Numerical Analysis · Mathematics 2021-12-22 Mengwu Guo , Andrea Manzoni , Maurice Amendt , Paolo Conti , Jan S. Hesthaven

Human agents routinely reason on instances with incomplete and muddied data (and weigh the cost of obtaining further features). In contrast, much of ML is devoted to the unrealistic, sterile environment where all features are observed and…

Machine Learning · Computer Science 2024-10-08 Yang Li , Junier Oliva

Recent network traffic classification methods benefitfrom machine learning (ML) technology. However, there aremany challenges due to use of ML, such as: lack of high-qualityannotated datasets, data-drifts and other effects causing aging…

Networking and Internet Architecture · Computer Science 2022-11-16 Jaroslav Pešek , Dominik Soukup , Tomáš Čejka

To enhance the reproducibility and reliability of deep learning models, we address a critical gap in current training methodologies: the lack of mechanisms that ensure consistent and robust performance across runs. Our empirical analysis…

Machine Learning · Computer Science 2026-01-05 Waqas Ahmed , Sheeba Samuel , Kevin Coakley , Birgitta Koenig-Ries , Odd Erik Gundersen

Constructing decision trees online is a classical machine learning problem. Existing works often assume that features are readily available for each incoming data point. However, in many real world applications, both feature values and the…

Machine Learning · Computer Science 2025-06-18 Arman Rahbar , Ziyu Ye , Yuxin Chen , Morteza Haghir Chehreghani

Selecting appropriate physical models is a critical yet difficult step in many areas of computational science and engineering. In multiphase Computational Fluid Dynamics (CFD), practitioners must choose among numerous closure model…

Information Retrieval · Computer Science 2026-04-13 S. Hänsch , A. Sajdoková , A. Rębowski , F. Miškařík , K. Ramakrishna , F. Schlegel , V. Rybář , R. Alves , P. Kordík

In this work we propose an adaptive multilevel version of subset simulation to estimate the probability of rare events for complex physical systems. Given a sequence of nested failure domains of increasing size, the rare event probability…

Numerical Analysis · Mathematics 2023-12-13 Daniel Elfverson , Robert Scheichl , Simon Weissmann , F. Alejandro DiazDelaO

Building a sustainable burn platform in inertial confinement fusion (ICF) requires an understanding of the complex coupling of physical processes and the effects that key experimental design changes have on implosion performance. While…

In system analysis and design optimization, multiple computational models are typically available to represent a given physical system. These models can be broadly classified as high-fidelity models, which provide highly accurate…

Machine Learning · Computer Science 2024-11-01 Ruda Zhang , Negin Alemazkoor

We introduce a novel continual learning method based on multifidelity deep neural networks. This method learns the correlation between the output of previously trained models and the desired output of the model on the current training…

Numerical Analysis · Mathematics 2024-07-01 Amanda Howard , Yucheng Fu , Panos Stinis

To balance quality and cost, various domain areas of science and engineering run simulations at multiple levels of sophistication. Multi-fidelity active learning aims to learn a direct mapping from input parameters to simulation outputs at…

Machine Learning · Computer Science 2023-06-06 Dongxia Wu , Ruijia Niu , Matteo Chinazzi , Yian Ma , Rose Yu

In critical machine learning applications, ensuring fairness is essential to avoid perpetuating social inequities. In this work, we address the challenges of reducing bias and improving accuracy in data-scarce environments, where the cost…

Machine Learning · Computer Science 2023-12-15 Romain Camilleri , Andrew Wagenmaker , Jamie Morgenstern , Lalit Jain , Kevin Jamieson

High-frequency trading (HFT) is an investing strategy that continuously monitors market states and places bid and ask orders at millisecond speeds. Traditional HFT approaches fit models with historical data and assume that future market…

Trading and Market Microstructure · Quantitative Finance 2025-05-23 Yang Li , Zhi Chen , Steve Yang

Vertical federated learning is a natural and elegant approach to integrate multi-view data vertically partitioned across devices (clients) while preserving their privacies. Apart from the model training, existing methods requires the…

Machine Learning · Computer Science 2024-09-09 Jiyuan Liu , Xinwang Liu , Siqi Wang , Xingchen Hu , Qing Liao , Xinhang Wan , Yi Zhang , Xin Lv , Kunlun He

The increasing uncertainty in modern power systems, driven by the integration of intermittent energy sources and variable loads, underscores the need for probabilistic transient stability assessment. However, existing assessment methods…

Systems and Control · Electrical Eng. & Systems 2026-05-08 Jingyu Liu , Xiaoting Wang , Xiaozhe Wang

With rapid progress in deep learning, neural networks have been widely used in scientific research and engineering applications as surrogate models. Despite the great success of neural networks in fitting complex systems, two major…

Machine Learning · Computer Science 2023-06-13 Yuwen Deng , Wang Kang , Wei W. Xing

Multi-fidelity (MF) methods are gaining popularity for enhancing surrogate modeling and design optimization by incorporating data from various low-fidelity (LF) models. While most existing MF methods assume a fixed dataset, adaptive…

Machine Learning · Statistics 2024-02-06 Yi-Ping Chen , Liwei Wang , Yigitcan Comlek , Wei Chen

Multi-fidelity modeling and learning are important in physical simulation-related applications. It can leverage both low-fidelity and high-fidelity examples for training so as to reduce the cost of data generation while still achieving good…

Machine Learning · Computer Science 2022-10-25 Shibo Li , Zheng Wang , Robert M. Kirby , Shandian Zhe