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ML platforms help enable intelligent data-driven applications and maintain them with limited engineering effort. Upon sufficiently broad adoption, such platforms reach economies of scale that bring greater component reuse while improving…

As modern data pipelines continue to collect, produce, and store a variety of data formats, extracting and combining value from traditional and context-rich sources such as strings, text, video, audio, and logs becomes a manual process…

Databases · Computer Science 2023-12-05 Viktor Sanca , Anastasia Ailamaki

Exascale computing holds great opportunities for molecular dynamics (MD) simulations. However, to take full advantage of the new possibilities, we must learn how to focus computational power on the discovery of complex molecular mechanisms,…

Chemical Physics · Physics 2019-01-16 Hendrik Jung , Roberto Covino , Gerhard Hummer

Over the past decade, data science and machine learning has grown from a mysterious art form to a staple tool across a variety of fields in academia, business, and government. In this paper, we introduce the concept of tree-based pipeline…

Machine Learning · Computer Science 2016-02-01 Randal S. Olson , Ryan J. Urbanowicz , Peter C. Andrews , Nicole A. Lavender , La Creis Kidd , Jason H. Moore

In the emerging era of big data, larger available clinical datasets and computational advances have sparked a massive interest in machine learning-based approaches. The number of manuscripts related to machine learning or artificial…

Machine Learning · Statistics 2020-06-29 Julius M. Kernbach , Victor E. Staartjes

Data Pipeline plays an indispensable role in tasks such as modeling machine learning and developing data products. With the increasing diversification and complexity of Data sources, as well as the rapid growth of data volumes, building an…

Machine Learning · Computer Science 2024-02-21 Jiang Wu , Hongbo Wang , Chunhe Ni , Chenwei Zhang , Wenran Lu

Artificial intelligence (AI) raises expectations of substantial increases in rates of technological and scientific progress, but such anticipations are often not connected to detailed ground-level studies of AI use in innovation processes.…

Computers and Society · Computer Science 2025-11-21 John P. Nelson , Olajide Olugbade , Philip Shapira , Justin B. Biddle

Advanced manufacturing with new bio-derived materials can be achieved faster and more economically with first-principle-based artificial intelligence and machine learning (AI/ML)-derived models and process optimization. Not only is this…

Soft Condensed Matter · Physics 2026-02-20 Rigoberto Advincula , Jihua Chen

UX practitioners face novel challenges when designing user interfaces for machine learning (ML)-enabled applications. Interactive ML paradigms, like AutoML and interactive machine teaching, lower the barrier for non-expert end users to…

Human-Computer Interaction · Computer Science 2023-02-24 K. J. Kevin Feng , David W. McDonald

Being able to predict the remaining useful life (RUL) of an engineering system is an important task in prognostics and health management. Recently, data-driven approaches to RUL predictions are becoming prevalent over model-based approaches…

Machine Learning · Computer Science 2025-01-20 Marc-André Zöller , Fabian Mauthe , Peter Zeiler , Marius Lindauer , Marco F. Huber

Edge computing and artificial intelligence (AI), especially deep learning for nowadays, are gradually intersecting to build a novel system, called edge intelligence. However, the development of edge intelligence systems encounters some…

Machine Learning · Computer Science 2021-12-07 Di Liu , Hao Kong , Xiangzhong Luo , Weichen Liu , Ravi Subramaniam

Transparency in Machine Learning (ML), attempts to reveal the working mechanisms of complex models. Transparent ML promises to advance human factors engineering goals of human-centered AI in the target users. From a human-centered design…

Human-Computer Interaction · Computer Science 2022-10-03 Haomin Chen , Catalina Gomez , Chien-Ming Huang , Mathias Unberath

The engineering of machine learning systems is still a nascent field; relying on a seemingly daunting collection of quickly evolving tools and best practices. It is our hope that this guidebook will serve as a useful resource for machine…

Machine Learning · Computer Science 2016-12-16 Ian Dewancker , Michael McCourt , Scott Clark

Despite strong performance in medical question-answering, the clinical adoption of Large Language Models (LLMs) is critically hampered by their opaque 'black-box' reasoning, limiting clinician trust. This challenge is compounded by the…

Computer Vision and Pattern Recognition · Computer Science 2025-05-13 Chao Ding , Mouxiao Bian , Pengcheng Chen , Hongliang Zhang , Tianbin Li , Lihao Liu , Jiayuan Chen , Zhuoran Li , Yabei Zhong , Yongqi Liu , Haiqing Huang , Dongming Shan , Junjun He , Jie Xu

Physics-Informed Machine Learning (PIML) has successfully integrated mechanistic understanding into machine learning, particularly in domains governed by well-known physical laws. This success has motivated efforts to apply PIML to biology,…

Machine Learning · Computer Science 2025-10-30 Julien Martinelli

Considering the significance of proteins, computational protein science has always been a critical scientific field, dedicated to revealing knowledge and developing applications within the protein sequence-structure-function paradigm. In…

Computational Engineering, Finance, and Science · Computer Science 2025-01-28 Wenqi Fan , Yi Zhou , Shijie Wang , Yuyao Yan , Hui Liu , Qian Zhao , Le Song , Qing Li

In recent years, Artificial Intelligence has become more and more relevant in our society. Creating AI systems is almost always the prerogative of IT and AI experts. However, users may need to create intelligent solutions tailored to their…

Human-Computer Interaction · Computer Science 2023-06-02 Andrea Esposito , Miriana Calvano , Antonio Curci , Giuseppe Desolda , Rosa Lanzilotti , Claudia Lorusso , Antonio Piccinno

Despite the excitement behind biomedical artificial intelligence (AI), access to high-quality, diverse, and large-scale data - the foundation for modern AI systems - is still a bottleneck to unlocking its full potential. To address this…

We introduce End2You -- the Imperial College London toolkit for multimodal profiling by end-to-end deep learning. End2You is an open-source toolkit implemented in Python and is based on Tensorflow. It provides capabilities to train and…

Computer Vision and Pattern Recognition · Computer Science 2018-02-06 Panagiotis Tzirakis , Stefanos Zafeiriou , Bjorn W. Schuller

Current automated machine learning (ML) tools are model-centric, focusing on model selection and parameter optimization. However, the majority of the time in data analysis is devoted to data cleaning and wrangling, for which limited tools…

Machine Learning · Computer Science 2023-07-18 Kartikay Goyle , Quin Xie , Vakul Goyle
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