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High-throughput computational materials design promises to greatly accelerate the process of discovering new materials and compounds, and of optimizing their properties. The large databases of structures and properties that result from…

Chemical Physics · Physics 2016-11-22 Sandip De , Felix Musil , Teresa Ingram , Carsten Baldauf , Michele Ceriotti

Using machine learning (ML) techniques in general and deep learning techniques in specific needs a certain amount of data often not available in large quantities in technical domains. The manual inspection of machine tool components and the…

Computer Vision and Pattern Recognition · Computer Science 2022-02-22 Tobias Schlagenhauf , Magnus Landwehr , Juergen Fleischer

A growing body of work shows that many problems in fairness, accountability, transparency, and ethics in machine learning systems are rooted in decisions surrounding the data collection and annotation process. In spite of its fundamental…

Machine Learning · Computer Science 2019-12-24 Eun Seo Jo , Timnit Gebru

We report the design, protocol, and outcomes of a student reproducibility hackathon focused on replicating the results of three influential MRI reconstruction papers: (a) MoDL, an unrolled model-based network with learned denoising; (b)…

The advancements in machine learning opened a new opportunity to bring intelligence to the low-end Internet-of-Things nodes such as microcontrollers. Conventional machine learning deployment has high memory and compute footprint hindering…

Machine Learning · Computer Science 2022-12-22 Swapnil Sayan Saha , Sandeep Singh Sandha , Mani Srivastava

In this work, a multi-stage Machine Learning (ML) pipeline is proposed for pipe leakage detection in an industrial environment. As opposed to other industrial and urban environments, the environment under study includes many interfering…

Machine Learning · Computer Science 2022-05-06 Ibrahim Shaer , Abdallah Shami

In hackathons, small teams work together over a specified period of time to complete a project of interest. Such time-bounded hackathon-style events have become increasingly popular across different domains in recent years. Collegiate…

Computers and Society · Computer Science 2019-01-10 Ei Pa Pa Pe-Than , Alexander Nolte

Code datasets, often collected from diverse and uncontrolled sources such as GitHub, potentially suffer from quality issues, thereby affecting the performance and training efficiency of Large Language Models (LLMs) optimized for code…

Material scientists are increasingly adopting the use of machine learning (ML) for making potentially important decisions, such as, discovery, development, optimization, synthesis and characterization of materials. However, despite ML's…

Computational Physics · Physics 2019-03-12 Bhavya Kailkhura , Brian Gallagher , Sookyung Kim , Anna Hiszpanski , T. Yong-Jin Han

Artificial intelligence (AI) promises to reshape scientific inquiry and enable breakthrough discoveries in areas such as energy storage, quantum computing, and biomedicine. Scanning transmission electron microscopy (STEM), a cornerstone of…

We introduce a machine-learning (ML) framework for high-throughput benchmarking of diverse representations of chemical systems against datasets of materials and molecules. The guiding principle underlying the benchmarking approach is to…

Machine Learning · Computer Science 2021-12-07 Carl Poelking , Felix A. Faber , Bingqing Cheng

X-ray microscopy (XRM) is commonly used to obtain three-dimensional information on internal microstructure, but the imaging pipeline introduces noise, redundancy and information loss at multiple stages. This paper treats the XRM workflow as…

Image and Video Processing · Electrical Eng. & Systems 2026-02-10 Charles Wood

The revolution in materials in the past century was built on a knowledge of the atomic arrangements and the structure-property relationship. The sine qua non for obtaining quantitative structural information is single crystal…

Computational Physics · Physics 2023-12-27 Gabe Guo , Judah Goldfeder , Ling Lan , Aniv Ray , Albert Hanming Yang , Boyuan Chen , Simon JL Billinge , Hod Lipson

Scientific computing workflows generate enormous distributed data that is short-lived, yet critical for job completion time. This class of data is called intermediate data. A common way to achieve high data availability is to replicate…

Distributed, Parallel, and Cluster Computing · Computer Science 2020-04-14 Zhe Zhang , Brian Bockelman , Derek Weitzel , David Swanson

Over the past few years, we have seen fundamental breakthroughs in core problems in machine learning, largely driven by advances in deep neural networks. At the same time, the amount of data collected in a wide array of scientific domains…

Machine Learning · Computer Science 2020-03-27 Maithra Raghu , Eric Schmidt

Given a real-world dataset, data condensation (DC) aims to synthesize a small synthetic dataset that captures the knowledge of a natural dataset while being usable for training models with comparable accuracy. Recent works propose to…

Computer Vision and Pattern Recognition · Computer Science 2024-07-22 Haizhong Zheng , Jiachen Sun , Shutong Wu , Bhavya Kailkhura , Zhuoqing Mao , Chaowei Xiao , Atul Prakash

Typical design flows are hierarchical and rely on assembling many individual technology elements from standard cells to complete boards. Providers use compact models to provide simplified views of their products to their users. Designers…

Hardware Architecture · Computer Science 2021-04-23 Dan Alexandrescu , Aneesh Balakrishnan , Thomas Lange , Maximilien Glorieux

The rapidly evolving fields of Machine Learning (ML) and Artificial Intelligence have witnessed the emergence of platforms like Hugging Face (HF) as central hubs for model development and sharing. This experience report synthesizes insights…

Software Engineering · Computer Science 2024-02-13 Joel Castaño , Silverio Martínez-Fernández , Xavier Franch

Following continuous software engineering practices, there has been an increasing interest in rapid deployment of machine learning (ML) features, called MLOps. In this paper, we study the importance of MLOps in the context of data…

Software Engineering · Computer Science 2021-03-17 Sasu Mäkinen , Henrik Skogström , Eero Laaksonen , Tommi Mikkonen

Although the tailored metal active sites and porous architectures of MOFs hold great promise for engineering challenges ranging from gas separations to catalysis, a lack of understanding of how to improve their stability limits their use in…

Materials Science · Physics 2021-06-28 Aditya Nandy , Chenru Duan , Heather J. Kulik
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