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Reliable performance metrics are necessary prerequisites to building large-scale end-to-end integrated workflows for collaborative scientific research, particularly within context of use-inspired decision making platforms with many…

Machine Learning · Computer Science 2024-08-01 H. Ahmed , R. Shende , I. Perez , D. Crawl , S. Purawat , I. Altintas

Advances in technology and computing hardware are enabling scientists from all areas of science to produce massive amounts of data using large-scale simulations or observational facilities. In this era of data deluge, effective coordination…

Databases · Computer Science 2015-03-31 Spyros Blanas , Surendra Byna

Materials discovery relies on high-throughput, high-fidelity simulation techniques such as Density Functional Theory (DFT), which require years of training, extensive parameter fine-tuning and systematic error handling. To address these…

Artificial Intelligence · Computer Science 2025-07-22 Ziqi Wang , Hongshuo Huang , Hancheng Zhao , Changwen Xu , Shang Zhu , Jan Janssen , Venkatasubramanian Viswanathan

In the paper, we present an integrated data-driven modeling framework based on process modeling, material homogenization, mechanistic machine learning, and concurrent multiscale simulation. We are interested in the injection-molded short…

Computational Engineering, Finance, and Science · Computer Science 2020-03-24 Zeliang Liu , Haoyan Wei , Tianyu Huang , C. T. Wu

Planning and acting in 3D environments is a fundamental capability for robotic manipulation in the real world. Although prior work has explored predictive flow planners to guide 3D manipulation, existing approaches often rely on modular…

In materials science and manufacturing, vast amounts of heterogeneous data (e.g., measurement and simulation logs, process data, publications) serve as the bedrock of valuable knowledge for various engineering applications. However,…

We present a publicly accessible database designed to aid in the conception, training, demonstration, evaluation, and comparison of reduced-complexity models for fluid mechanics. Availability of high-quality flow data is essential for all…

The Big Data landscape poses challenges in managing diverse data formats, requiring efficient storage and processing for high-quality analysis. Effective metadata management is crucial for organizing, accessing, and reusing data within…

Databases · Computer Science 2025-03-21 Claudia Diamantini , Alessandro Mele , Domenico Potena , Cristina Rossetti , Emanuele Storti

Reliable autonomous driving relies on large-scale, well-labeled data and robust models. However, manual data collection is resource-intensive, and traditional simulation suffers from a persistent reality gap. While recent generative…

Computer Vision and Pattern Recognition · Computer Science 2026-05-14 Kaicong Huang , Talha Azfar , Weisong Shi , Ruimin Ke

The use of machine learning algorithms to predict behaviors of complex systems is booming. However, the key to an effective use of machine learning tools in multi-physics problems, including combustion, is to couple them to physical and…

Wheeled robots have gained significant attention due to their wide range of applications in manufacturing, logistics, and service industries. However, due to the difficulty of building a highly accurate dynamics model for wheeled robots,…

Robotics · Computer Science 2024-11-15 Yunfeng Lin , Minghuan Liu , Yong Yu

Foundation models (FMs) are catalyzing a transformative shift in materials science (MatSci) by enabling scalable, general-purpose, and multimodal AI systems for scientific discovery. Unlike traditional machine learning models, which are…

Machine Learning · Computer Science 2025-06-27 Minh-Hao Van , Prateek Verma , Chen Zhao , Xintao Wu

By formulating data samples' formation as a Markov denoising process, diffusion models achieve state-of-the-art performances in a collection of tasks. Recently, many variants of diffusion models have been proposed to enable controlled…

Machine Learning · Computer Science 2023-04-17 Hengtong Zhang , Tingyang Xu

Foundation models, as a mainstream technology in artificial intelligence, have demonstrated immense potential across various domains in recent years, particularly in handling complex tasks and multimodal data. In the field of geophysics,…

Geophysics · Physics 2025-04-28 Hanlin Sheng , Xinming Wu , Hang Gao , Haibin Di , Sergey Fomel , Jintao Li , Xu Si

Combining machine learning (ML) with computational fluid dynamics (CFD) opens many possibilities for improving simulations of technical and natural systems. However, CFD+ML algorithms require exchange of data, synchronization, and…

Machine Learning · Computer Science 2024-06-25 Tomislav Maric , Mohammed Elwardi Fadeli , Alessandro Rigazzi , Andrew Shao , Andre Weiner

Materials science datasets are inherently heterogeneous and are available in different modalities such as characterization spectra, atomic structures, microscopic images, and text-based synthesis conditions. The advancements in multi-modal…

Machine Learning · Computer Science 2024-11-14 Janghoon Ock , Joseph Montoya , Daniel Schweigert , Linda Hung , Santosh K. Suram , Weike Ye

Accurate emulation of multi-scale physical systems governed by PDEs demands models that remain stable over long autoregressive rollouts while preserving fine-scale structures. Deterministic emulators produce overly-smoothed predictions,…

Machine learning has been increasingly applied in climate modeling on system emulation acceleration, data-driven parameter inference, forecasting, and knowledge discovery, addressing challenges such as physical consistency, multi-scale…

Despite the successful implementations of physics-informed neural networks in different scientific domains, it has been shown that for complex nonlinear systems, achieving an accurate model requires extensive hyperparameter tuning, network…

Computational Engineering, Finance, and Science · Computer Science 2022-11-30 Milad Ramezankhani , Amir Nazemi , Apurva Narayan , Heinz Voggenreiter , Mehrtash Harandi , Rudolf Seethaler , Abbas S. Milani

The volume of scientific data produced for and by numerical simulation workflows is increasing at an incredible rate. This raises concerns either in computability, interpretability, and sustainability. This is especially noticeable in earth…

Distributed, Parallel, and Cluster Computing · Computer Science 2025-09-25 Laurent Duval , Frédéric Payan , Christophe Preux , Lauriane Bouard