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Related papers: Hacktive Matter: data-driven discovery through hac…

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Autonomous materials research systems allow scientists to fail smarter, learn faster, and spend less resources in their studies. As these systems grow in number, capability, and complexity, a new challenge arises - how will they work…

Multiagent Systems · Computer Science 2023-03-21 A. Gilad Kusne , Austin McDannald

Here, we present the outcomes from the second Large Language Model (LLM) Hackathon for Applications in Materials Science and Chemistry, which engaged participants across global hybrid locations, resulting in 34 team submissions. The…

Machine Learning · Computer Science 2025-01-06 Yoel Zimmermann , Adib Bazgir , Zartashia Afzal , Fariha Agbere , Qianxiang Ai , Nawaf Alampara , Alexander Al-Feghali , Mehrad Ansari , Dmytro Antypov , Amro Aswad , Jiaru Bai , Viktoriia Baibakova , Devi Dutta Biswajeet , Erik Bitzek , Joshua D. Bocarsly , Anna Borisova , Andres M Bran , L. Catherine Brinson , Marcel Moran Calderon , Alessandro Canalicchio , Victor Chen , Yuan Chiang , Defne Circi , Benjamin Charmes , Vikrant Chaudhary , Zizhang Chen , Min-Hsueh Chiu , Judith Clymo , Kedar Dabhadkar , Nathan Daelman , Archit Datar , Wibe A. de Jong , Matthew L. Evans , Maryam Ghazizade Fard , Giuseppe Fisicaro , Abhijeet Sadashiv Gangan , Janine George , Jose D. Cojal Gonzalez , Michael Götte , Ankur K. Gupta , Hassan Harb , Pengyu Hong , Abdelrahman Ibrahim , Ahmed Ilyas , Alishba Imran , Kevin Ishimwe , Ramsey Issa , Kevin Maik Jablonka , Colin Jones , Tyler R. Josephson , Greg Juhasz , Sarthak Kapoor , Rongda Kang , Ghazal Khalighinejad , Sartaaj Khan , Sascha Klawohn , Suneel Kuman , Alvin Noe Ladines , Sarom Leang , Magdalena Lederbauer , Sheng-Lun , Liao , Hao Liu , Xuefeng Liu , Stanley Lo , Sandeep Madireddy , Piyush Ranjan Maharana , Shagun Maheshwari , Soroush Mahjoubi , José A. Márquez , Rob Mills , Trupti Mohanty , Bernadette Mohr , Seyed Mohamad Moosavi , Alexander Moßhammer , Amirhossein D. Naghdi , Aakash Naik , Oleksandr Narykov , Hampus Näsström , Xuan Vu Nguyen , Xinyi Ni , Dana O'Connor , Teslim Olayiwola , Federico Ottomano , Aleyna Beste Ozhan , Sebastian Pagel , Chiku Parida , Jaehee Park , Vraj Patel , Elena Patyukova , Martin Hoffmann Petersen , Luis Pinto , José M. Pizarro , Dieter Plessers , Tapashree Pradhan , Utkarsh Pratiush , Charishma Puli , Andrew Qin , Mahyar Rajabi , Francesco Ricci , Elliot Risch , Martiño Ríos-García , Aritra Roy , Tehseen Rug , Hasan M Sayeed , Markus Scheidgen , Mara Schilling-Wilhelmi , Marcel Schloz , Fabian Schöppach , Julia Schumann , Philippe Schwaller , Marcus Schwarting , Samiha Sharlin , Kevin Shen , Jiale Shi , Pradip Si , Jennifer D'Souza , Taylor Sparks , Suraj Sudhakar , Leopold Talirz , Dandan Tang , Olga Taran , Carla Terboven , Mark Tropin , Anastasiia Tsymbal , Katharina Ueltzen , Pablo Andres Unzueta , Archit Vasan , Tirtha Vinchurkar , Trung Vo , Gabriel Vogel , Christoph Völker , Jan Weinreich , Faradawn Yang , Mohd Zaki , Chi Zhang , Sylvester Zhang , Weijie Zhang , Ruijie Zhu , Shang Zhu , Jan Janssen , Calvin Li , Ian Foster , Ben Blaiszik

A main challenge of data-driven sciences is how to make maximal use of the progressively expanding databases of experimental datasets in order to keep research cumulative. We introduce the idea of a modeling-based dataset retrieval engine…

Quantitative Methods · Quantitative Biology 2015-06-19 Ali Faisal , Jaakko Peltonen , Elisabeth Georgii , Johan Rung , Samuel Kaski

Currently, data-intensive scientific applications require vast amounts of compute resources to deliver world-leading science. The climate emergency has made it clear that unlimited use of resources (e.g., energy) for scientific discovery is…

Instrumentation and Methods for Astrophysics · Physics 2024-12-12 P. Chris Broekema , Rob V. van Nieuwpoort

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

A ''technology lottery'' describes a research idea or technology succeeding over others because it is suited to the available software and hardware, not necessarily because it is superior to alternative directions--examples abound, from the…

Artificial Intelligence · Computer Science 2022-11-10 Erik Peterson , Alexander Lavin

To enhance the undergraduate and graduate engineering education for nanoscale materials, devices and systems, we report a multi-disciplinary course based on the integration of theory, hands-on laboratory and hands-on computation into a…

Mesoscale and Nanoscale Physics · Physics 2013-03-27 Hassan Raza , Tehseen Z. Raza

Biomedical research centers can empower basic discovery and novel therapeutic strategies by leveraging their large-scale datasets from experiments and patients. This data, together with new technologies to create and analyze it, has ushered…

The MICCAI conference has encountered tremendous growth over the last years in terms of the size of the community, as well as the number of contributions and their technical success. With this growth, however, come new challenges for the…

Artificial intelligence (AI) and hardware (HW) are advancing at unprecedented rates, yet their trajectories have become inseparably intertwined. The global research community lacks a cohesive, long-term vision to strategically coordinate…

Responsive, adaptive and intelligent are widely used but inconsistently defined descriptors of soft matter. A conceptual framework is proposed in which the three classes are information channels of increasing architectural complexity: a…

Soft Condensed Matter · Physics 2026-05-29 George S. Attard

The ability to discover new materials with desirable properties is critical for numerous applications from helping mitigate climate change to advances in next generation computing hardware. AI has the potential to accelerate materials…

Harnessing the rich nonlinear dynamics of highly-deformable materials has the potential to unlock the next generation of functional smart materials and devices. However, unlocking such potential requires effective strategies to spatially…

A datathon is a time-constrained competition involving data science applied to a specific problem. In the past decade, datathons have been shown to be a valuable bridge between fields and expertise . Biomedical data analysis represents a…

This paper elucidates the challenges and opportunities inherent in integrating data-driven methodologies into geotechnics, drawing inspiration from the success of materials informatics. Highlighting the intricacies of soil complexity,…

Machine Learning · Computer Science 2023-12-04 Stephen Wu , Yu Otake , Yosuke Higo , Ikumasa Yoshida

Significant investments to upgrade and construct large-scale scientific facilities demand commensurate investments in R&D to design algorithms and computing approaches to enable scientific and engineering breakthroughs in the big data era.…

Artificial intelligence (AI) holds great promise to empower us with knowledge and augment our effectiveness. We can -- and must -- ensure that we keep humans safe and in control, particularly with regard to government and public sector…

Artificial Intelligence · Computer Science 2019-10-09 Carol J. Smith

Scientific data processing often requires task-specific algorithms or AI models, creating a barrier for domain scientists who need to analyze their data but may not have extensive computing or image-processing expertise. This barrier is…

Artificial Intelligence · Computer Science 2026-05-26 Ming Du , Xiangyu Yin , Yanqi Luo , Dishant Beniwal , Songyuan Tang , Hemant Sharma , Mathew J. Cherukara

Machine learning models can assist with metamaterials design by approximating computationally expensive simulators or solving inverse design problems. However, past work has usually relied on black box deep neural networks, whose reasoning…

Machine Learning · Computer Science 2022-10-04 Zhi Chen , Alexander Ogren , Chiara Daraio , L. Catherine Brinson , Cynthia Rudin

We introduce physics-informed multimodal autoencoders (PIMA) - a variational inference framework for discovering shared information in multimodal scientific datasets representative of high-throughput testing. Individual modalities are…

Machine Learning · Computer Science 2022-02-08 Nathaniel Trask , Carianne Martinez , Kookjin Lee , Brad Boyce
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