no code implementations • 5 May 2025 • Yoel Zimmermann, Adib Bazgir, Alexander Al-Feghali, Mehrad Ansari, Joshua Bocarsly, L. Catherine Brinson, Yuan Chiang, Defne Circi, Min-Hsueh Chiu, Nathan Daelman, Matthew L. Evans, Abhijeet S. Gangan, Janine George, Hassan Harb, Ghazal Khalighinejad, Sartaaj Takrim Khan, Sascha Klawohn, Magdalena Lederbauer, Soroush Mahjoubi, Bernadette Mohr, Seyed Mohamad Moosavi, Aakash Naik, Aleyna Beste Ozhan, Dieter Plessers, Aritra Roy, Fabian Schöppach, Philippe Schwaller, Carla Terboven, Katharina Ueltzen, Yue Wu, Shang Zhu, Jan Janssen, Calvin Li, Ian Foster, Ben Blaiszik
Large Language Models (LLMs) are reshaping many aspects of materials science and chemistry research, enabling advances in molecular property prediction, materials design, scientific automation, knowledge extraction, and more.
1 code implementation • 20 Nov 2024 • 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
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.
2 code implementations • 11 Nov 2024 • Alexandra Butoi, Ghazal Khalighinejad, Anej Svete, Josef Valvoda, Ryan Cotterell, Brian DuSell
We provide results on a variety of languages across the Chomsky hierarchy for three neural architectures: a simple RNN, an LSTM, and a causally-masked transformer.
no code implementations • 27 Oct 2024 • Ghazal Khalighinejad, Sharon Scott, Ollie Liu, Kelly L. Anderson, Rickard Stureborg, Aman Tyagi, Bhuwan Dhingra
We introduce \textsc{MatViX}, a benchmark consisting of $324$ full-length research articles and $1, 688$ complex structured JSON files, carefully curated by domain experts.
no code implementations • 1 Apr 2024 • Deqing Fu, Ruohao Guo, Ghazal Khalighinejad, Ollie Liu, Bhuwan Dhingra, Dani Yogatama, Robin Jia, Willie Neiswanger
Current foundation models exhibit impressive capabilities when prompted either with text only or with both image and text inputs.
1 code implementation • 1 Mar 2024 • Ghazal Khalighinejad, Defne Circi, L. C. Brinson, Bhuwan Dhingra
This paper investigates the use of large language models (LLMs) for extracting sample lists of polymer nanocomposites (PNCs) from full-length materials science research papers.
1 code implementation • 3 May 2023 • Ghazal Khalighinejad, Ollie Liu, Sam Wiseman
We investigate the ability of transformer models to approximate the CKY algorithm, using them to directly predict a sentence's parse and thus avoid the CKY algorithm's cubic dependence on sentence length.