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Achieving complete reproducibility in science, particularly in research fields such as biodiversity, is challenging due to analytical choices, bias and interpretation. Here, we examine examples of reproducibility in biological systematics,…

Other Quantitative Biology · Quantitative Biology 2025-08-01 Charles Morphy D. Santos , Luciana Campos Paulino , Michaella P. Andrade , Gabriel Tognella-Poccia , João Paulo Gois

Artificial intelligence (AI) systems hold great promise to improve healthcare over the next decades. Specifically, AI systems leveraging multiple data sources and input modalities are poised to become a viable method to deliver more…

Scientific workflows consist of thousands of highly parallelized tasks executed in a distributed environment involving many components. Automatic tracing and investigation of the components' and tasks' performance metrics, traces, and…

Distributed, Parallel, and Cluster Computing · Computer Science 2023-07-19 Jonathan Bader , Joel Witzke , Soeren Becker , Ansgar Lößer , Fabian Lehmann , Leon Doehler , Anh Duc Vu , Odej Kao

The integration of Large Language Models (LLMs) into life sciences has catalyzed the development of "AI Scientists." However, translating these theoretical capabilities into deployment-ready research environments exposes profound…

Artificial Intelligence · Computer Science 2026-04-02 Yao Qin , Yangyang Yan , Jinhua Pang , Xiaoming Zhang

The convergence of artificial intelligence (AI) and synthetic biology is rapidly accelerating the pace of biological discovery and engineering. AI techniques, such as large language models and biological design tools, are enabling the…

Other Quantitative Biology · Quantitative Biology 2024-05-01 Cindy Vindman , Benjamin Trump , Christopher Cummings , Madison Smith , Alexander J. Titus , Ken Oye , Valentina Prado , Eyup Turmus , Igor Linkov

Bayesian optimization has become widely popular across various experimental sciences due to its favorable attributes: it can handle noisy data, perform well with relatively small datasets, and provide adaptive suggestions for sequential…

Other Quantitative Biology · Quantitative Biology 2025-08-15 Maximilian Siska , Emma Pajak , Katrin Rosenthal , Antonio del Rio Chanona , Eric von Lieres , Laura Marie Helleckes

Scientific workflows have become integral tools in broad scientific computing use cases. Science discovery is increasingly dependent on workflows to orchestrate large and complex scientific experiments that range from execution of a…

Distributed, Parallel, and Cluster Computing · Computer Science 2023-04-04 Rafael Ferreira da Silva , Rosa M. Badia , Venkat Bala , Debbie Bard , Peer-Timo Bremer , Ian Buckley , Silvina Caino-Lores , Kyle Chard , Carole Goble , Shantenu Jha , Daniel S. Katz , Daniel Laney , Manish Parashar , Frederic Suter , Nick Tyler , Thomas Uram , Ilkay Altintas , Stefan Andersson , William Arndt , Juan Aznar , Jonathan Bader , Bartosz Balis , Chris Blanton , Kelly Rosa Braghetto , Aharon Brodutch , Paul Brunk , Henri Casanova , Alba Cervera Lierta , Justin Chigu , Taina Coleman , Nick Collier , Iacopo Colonnelli , Frederik Coppens , Michael Crusoe , Will Cunningham , Bruno de Paula Kinoshita , Paolo Di Tommaso , Charles Doutriaux , Matthew Downton , Wael Elwasif , Bjoern Enders , Chris Erdmann , Thomas Fahringer , Ludmilla Figueiredo , Rosa Filgueira , Martin Foltin , Anne Fouilloux , Luiz Gadelha , Andy Gallo , Artur Garcia Saez , Daniel Garijo , Roman Gerlach , Ryan Grant , Samuel Grayson , Patricia Grubel , Johan Gustafsson , Valerie Hayot-Sasson , Oscar Hernandez , Marcus Hilbrich , AnnMary Justine , Ian Laflotte , Fabian Lehmann , Andre Luckow , Jakob Luettgau , Ketan Maheshwari , Motohiko Matsuda , Doriana Medic , Pete Mendygral , Marek Michalewicz , Jorji Nonaka , Maciej Pawlik , Loic Pottier , Line Pouchard , Mathias Putz , Santosh Kumar Radha , Lavanya Ramakrishnan , Sashko Ristov , Paul Romano , Daniel Rosendo , Martin Ruefenacht , Katarzyna Rycerz , Nishant Saurabh , Volodymyr Savchenko , Martin Schulz , Christine Simpson , Raul Sirvent , Tyler Skluzacek , Stian Soiland-Reyes , Renan Souza , Sreenivas Rangan Sukumar , Ziheng Sun , Alan Sussman , Douglas Thain , Mikhail Titov , Benjamin Tovar , Aalap Tripathy , Matteo Turilli , Bartosz Tuznik , Hubertus van Dam , Aurelio Vivas , Logan Ward , Patrick Widener , Sean Wilkinson , Justyna Zawalska , Mahnoor Zulfiqar

Data science agents promise to accelerate discovery and insight-generation by turning data into executable analyses and findings. Yet existing data science benchmarks fall short due to fragmented evaluation interfaces that make…

Artificial Intelligence · Computer Science 2026-01-26 Fan Nie , Junlin Wang , Harper Hua , Federico Bianchi , Yongchan Kwon , Zhenting Qi , Owen Queen , Shang Zhu , James Zou

Recent breakthroughs in large language models (LLMs) offer unprecedented natural language understanding and generation capabilities. However, existing surveys on LLMs in biomedicine often focus on specific applications or model…

Recent advances in large language models (LLMs) have enabled a new class of AI agents that automate multiple stages of the data science workflow by integrating planning, tool use, and multimodal reasoning across text, code, tables, and…

Machine learning (ML) applications in medical artificial intelligence (AI) systems have shifted from traditional and statistical methods to increasing application of deep learning models. This survey navigates the current landscape of…

Machine Learning · Computer Science 2024-01-23 Elisa Warner , Joonsang Lee , William Hsu , Tanveer Syeda-Mahmood , Charles Kahn , Olivier Gevaert , Arvind Rao

Recent advancements in biological research leverage the integration of molecules, proteins, and natural language to enhance drug discovery. However, current models exhibit several limitations, such as the generation of invalid molecular…

Computation and Language · Computer Science 2024-01-30 Qizhi Pei , Wei Zhang , Jinhua Zhu , Kehan Wu , Kaiyuan Gao , Lijun Wu , Yingce Xia , Rui Yan

AI-enabled synthetic biology has tremendous potential but also significantly increases biorisks and brings about a new set of dual use concerns. The picture is complicated given the vast innovations envisioned to emerge by combining…

Other Quantitative Biology · Quantitative Biology 2024-03-08 Trond Arne Undheim

Scientific workflows are a cornerstone of modern scientific computing. They are used to describe complex computational applications that require efficient and robust management of large volumes of data, which are typically stored/processed…

Distributed, Parallel, and Cluster Computing · Computer Science 2021-03-03 Rafael Ferreira da Silva , Loïc Pottier , Tainã Coleman , Ewa Deelman , Henri Casanova

Recent advances in both theory and computational power have created opportunities to simulate biomolecular processes more efficiently using adaptive ensemble simulations. Ensemble simulations are now widely used to compute a number of…

Quantitative Methods · Quantitative Biology 2018-09-27 Peter M. Kasson , Shantenu Jha

The term scientific workflow has evolved over the last two decades to encompass a broad range of compositions of interdependent compute tasks and data movements. It has also become an umbrella term for processing in modern scientific…

MiMiC is a framework for performing multiscale simulations in which loosely coupled external programs describe individual subsystems at different resolutions and levels of theory. To make it highly efficient and flexible, we adopt an…

Digital pathology plays a crucial role in the development of artificial intelligence in the medical field. The digital pathology platform can make the pathological resources digital and networked, and realize the permanent storage of visual…

Human-Computer Interaction · Computer Science 2021-11-11 Jialun Wu , Anyu Mao , Xinrui Bao , Haichuan Zhang , Zeyu Gao , Chunbao Wang , Tieliang Gong , Chen Li

Omics software tools have reshaped the landscape of modern biology and become an essential component of biomedical research. The increasing dependence of biomedical scientists on these powerful tools creates a need for easier installation…