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Machine learning continues to grow in popularity in academia, in industry, and is increasingly used in other fields. However, most of the common metrics used to evaluate even simple binary classification models have shortcomings that are…

Machine Learning · Computer Science 2024-12-25 David H. Brown , Davide Chicco

The Open Knowledgebase of Interatomic Models (OpenKIM) project is a framework intended to facilitate access to standardized implementations of interatomic models for molecular simulations along with computational protocols to evaluate them.…

We describe how Python can be leveraged to streamline the curation, modelling and dissemination of drug discovery data as well as the development of innovative, freely available tools for the related scientific community. We look at various…

Other Computer Science · Computer Science 2016-07-05 Michał Nowotka , George Papadatos , Mark Davies , Nathan Dedman , Anne Hersey

Integration of scalar and vector visualization has been an interesting topic. This paper presents a technique to appropriately select and display multiple streamlines while overlaying with isosurfaces, aiming an integrated scalar and vector…

Graphics · Computer Science 2017-07-18 Shiho Furuya , Takayuki Itoh

Maintaining the visibility of the target is one of the major objectives of aerial tracking missions. This paper proposes a target-visible trajectory planning pipeline using quadratic programming. Our approach can handle various tracking…

Robotics · Computer Science 2025-11-12 Yunwoo Lee , Jungwon Park , Seungwoo Jung , Boseong Jeon , Dahyun Oh , H. Jin Kim

We describe principal components of the new spectroscopic data pipeline for the multi-object MMT/Magellan Infrared Spectrograph (MMIRS). The pipeline is implemented in IDL and C++. The performance of the data processing algorithms is…

Instrumentation and Methods for Astrophysics · Physics 2012-12-18 Igor Chilingarian , Warren Brown , Daniel Fabricant , Brian McLeod , John Roll , Andrew Szentgyorgyi

Training deep research agents requires long-horizon trajectories that interleave search, evidence aggregation, and multi-step reasoning. However, existing data collection pipelines typically rely on proprietary web APIs, making large-scale…

Information Retrieval · Computer Science 2026-03-24 Zhuofeng Li , Dongfu Jiang , Xueguang Ma , Haoxiang Zhang , Ping Nie , Yuyu Zhang , Kai Zou , Jianwen Xie , Yu Zhang , Wenhu Chen

IOP4 is a pipeline to perform photometry and polarimetry analysis of optical data from Calar Alto (CAHA) and Sierra Nevada (OSN) observatories. IOP4 implements Object Relational Mapping (ORM) to seamlessly integrate all information about…

The objective of Information Extraction (IE) is to derive structured representations from unstructured or semi-structured documents. However, developing IE models is complex due to the need of integrating several subtasks. Additionally,…

Information Retrieval · Computer Science 2024-06-04 Arne Binder , Leonhard Hennig , Christoph Alt

pyscreener is a Python library that seeks to alleviate the challenges of large-scale structure-based design using computational docking. It provides a simple and uniform interface that is agnostic to the backend docking engine with which to…

Quantitative Methods · Quantitative Biology 2022-05-05 David E. Graff , Connor W. Coley

A data analysis pipeline is a structured sequence of steps that transforms raw data into meaningful insights by integrating multiple analysis algorithms. In many practical applications, analytical findings are obtained only after data pass…

Machine Learning · Statistics 2026-05-04 Yugo Miyata , Tomohiro Shiraishi , Shuichi Nishino , Ichiro Takeuchi

Deep learning has enabled ECG diagnostic models with strong performance in tasks such as arrhythmia classification and abnormality detection. However, accuracy alone is insufficient for clinical deployment because it does not explain why a…

Machine Learning · Computer Science 2026-05-20 Jong-Hwan Jang , Yong-yeon Jo

Reconstructing physically valid 3D scenes from single-view observations is a prerequisite for bridging the gap between visual perception and robotic control. However, in scenarios requiring precise contact reasoning, such as robotic…

Robotics · Computer Science 2026-05-19 Tianyi Xiang , Jiahang Cao , Sikai Guo , Guoyang Zhao , Andrew F. Luo , Jun Ma

Solutions to the Algorithm Selection Problem (ASP) in machine learning face the challenge of high computational costs associated with evaluating various algorithms' performances on a given dataset. To mitigate this cost, the meta-learning…

Machine Learning · Computer Science 2025-09-12 Cynthia Moreira Maia , Lucas B. V. de Amorim , George D. C. Cavalcanti , Rafael M. O. Cruz

Multi-stage screening pipelines are ubiquitous throughout experimental and computational science. Much of the effort in developing screening pipelines focuses on improving generative methods or surrogate models in an attempt to make each…

Optimization and Control · Mathematics 2022-04-15 Kristofer G. Reyes , Jiaqian Liu , Carlos Juan Díaz Vargas

The Rubin Observatory's Data Butler is designed to allow data file location and file formats to be abstracted away from the people writing the science pipeline algorithms. The Butler works in conjunction with the workflow graph builder to…

Instrumentation and Methods for Astrophysics · Physics 2022-07-01 Tim Jenness , James F. Bosch , Nate B. Lust , Nathan M. Pease , Michelle Gower , Mikolaj Kowalik , Gregory P. Dubois-Felsmann , Fritz Mueller , Pim Schellart

Large Language Models (LLMs) are increasingly being adopted as tools for learning; however, most tools remain text-only, limiting their usefulness for domains where visualizations are essential, such as mathematics. Recent work shows that…

Artificial Intelligence · Computer Science 2025-11-12 Vishal Kumar , Shubhra Mishra , Rebecca Hao , Rizwaan Malik , David Broman , Dorottya Demszky

Physical Reservoir Computing (PRC) leverages the intrinsic nonlinear dynamics of physical substrates, mechanical, optical, spintronic, and beyond, as fixed computational reservoirs, offering a compelling paradigm for energy-efficient and…

Robotics · Computer Science 2026-04-10 Yogesh Phalak , Wen Sin Lor , Apoorva Khairnar , Benjamin Jantzen , Noel Naughton , Suyi Li

The recent advance in autonomous underwater robotics facilitates autonomous inspection tasks of offshore infrastructure. However, current inspection missions rely on predefined plans created offline, hampering the flexibility and autonomy…

Scientists are drawn to synchrotrons and accelerator based light sources because of their brightness, coherence and flux. The rate of improvement in brightness and detector technology has outpaced Moore's law growth seen for computers,…