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Related papers: ChemLLM: A Chemical Large Language Model

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Chemputation is the process of programming chemical robots to do experiments using a universal symbolic language, but the literature can be error prone and hard to read due to ambiguities. Large Language Models (LLMs) have demonstrated…

Artificial Intelligence · Computer Science 2024-10-10 Sebastian Pagel , Michael Jirasek , Leroy Cronin

Large Language Models (LLMs) are transformative not only for daily activities but also for engineering tasks. However, current evaluations of LLMs in engineering exhibit two critical shortcomings: (i) the reliance on simplified use cases,…

Artificial Intelligence · Computer Science 2025-05-21 Rene Heesch , Sebastian Eilermann , Alexander Windmann , Alexander Diedrich , Philipp Rosenthal , Oliver Niggemann

Large language models (LLMs) have ushered in a new era for processing complex information in various fields, including science. The increasing amount of scientific literature allows these models to acquire and understand scientific…

Computation and Language · Computer Science 2024-08-21 Huy Quoc To , Ming Liu , Guangyan Huang

Large Language Models (LLMs), such as ChatGPT, LLaMA, GLM, and PaLM, have exhibited remarkable performances across various tasks in recent years. However, LLMs face two main challenges in real-world applications. One challenge is that…

Machine Learning · Computer Science 2023-10-17 Tao Fan , Yan Kang , Guoqiang Ma , Weijing Chen , Wenbin Wei , Lixin Fan , Qiang Yang

Large Language Models (LLMs) have shown remarkable capabilities across a wide variety of Natural Language Processing (NLP) tasks and have attracted attention from multiple domains, including financial services. Despite the extensive…

Computation and Language · Computer Science 2025-01-14 Jean Lee , Nicholas Stevens , Soyeon Caren Han , Minseok Song

Benchmarks establish a standardized evaluation framework to systematically assess the performance of large language models (LLMs), facilitating objective comparisons and driving advancements in the field. However, existing benchmarks fail…

Computation and Language · Computer Science 2026-02-16 Ziqian Zhang , Xingjian Hu , Yue Huang , Kai Zhang , Ruoxi Chen , Yixin Liu , Qingsong Wen , Kaidi Xu , Xiangliang Zhang , Neil Zhenqiang Gong , Lichao Sun

Large language models (LLMs) such as ChatGPT have gained considerable interest across diverse research communities. Their notable ability for text completion and generation has inaugurated a novel paradigm for language-interfaced problem…

Quantitative Methods · Quantitative Biology 2024-02-22 Hengchuang Yin , Zhonghui Gu , Fanhao Wang , Yiparemu Abuduhaibaier , Yanqiao Zhu , Xinming Tu , Xian-Sheng Hua , Xiao Luo , Yizhou Sun

Multi-LLM collaboration promises accurate, robust, and context-aware solutions, yet existing approaches rely on implicit selection and output assessment without analyzing whether collaborating models truly complement or conflict. We…

Machine Learning · Computer Science 2025-10-07 Huascar Sanchez , Briland Hitaj

Large Language Models (LLMs) have seen rapid advancements in recent years, with models like ChatGPT and DeepSeek, showcasing their remarkable capabilities across diverse domains. While substantial research has been conducted on LLMs in…

Machine Learning · Computer Science 2026-03-31 Licheng Zhang , Bach Le , Naveed Akhtar , Siew-Kei Lam , Tuan Ngo

Large Language Models (LLMs) have emerged as a powerful tool in advancing the Text-to-SQL task, significantly outperforming traditional methods.Nevertheless, as a nascent research field, there is still no consensus on the optimal prompt…

Computation and Language · Computer Science 2026-03-20 Bin Zhang , Yuxiao Ye , Guoqing Du , Xiaoru Hu , Zhishuai Li , Chi Harold Liu , Zhiwei Xu , Guoliang Fan , Rui Zhao , Ziyue Li , Hangyu Mao

This work presents an ontology-integrated large language model (LLM) framework for chemical engineering that unites structured domain knowledge with generative reasoning. The proposed pipeline aligns model training and inference with the…

Machine Learning · Computer Science 2025-12-15 Crystal Su , Kuai Yu , Jingrui Zhang , Mingyuan Shao , Daniel Bauer

Data science plays a critical role in biomedical research, but it requires professionals with expertise in coding and medical data analysis. Large language models (LLMs) have shown great potential in supporting medical tasks and performing…

Artificial Intelligence · Computer Science 2025-04-10 Zifeng Wang , Benjamin Danek , Ziwei Yang , Zheng Chen , Jimeng Sun

Scientific workflow systems are increasingly popular for expressing and executing complex data analysis pipelines over large datasets, as they offer reproducibility, dependability, and scalability of analyses by automatic parallelization on…

Distributed, Parallel, and Cluster Computing · Computer Science 2024-07-09 Mario Sänger , Ninon De Mecquenem , Katarzyna Ewa Lewińska , Vasilis Bountris , Fabian Lehmann , Ulf Leser , Thomas Kosch

The integration of Multimodal Large Language Models (MLLMs) into chemistry promises to revolutionize scientific discovery, yet their ability to comprehend the dense, graphical language of reactions within authentic literature remains…

Computer Vision and Pattern Recognition · Computer Science 2026-01-29 Hanzheng Li , Xi Fang , Yixuan Li , Chaozheng Huang , Junjie Wang , Xi Wang , Hongzhe Bai , Bojun Hao , Shenyu Lin , Huiqi Liang , Linfeng Zhang , Guolin Ke

Large language models (LLMs) are rapidly changing how researchers in materials science and chemistry discover, organize, and act on scientific knowledge. This paper analyzes a broad set of community-developed LLM applications in an effort…

Materials Science · Physics 2026-05-06 Aritra Roy , Kevin Shen , Andrew MacBride , Awwal Oladipupo , Mudassra Taskeen , Wojtek Treyde , Ruaa A. E. A. Abakar , Ahmad D. Abbas , Elsayed Abdelfatah , Abbas A. Abdullahi , Seham S. Abyah , Chahd Rahyl Adjmi , Fariha Agbere , Savyasanchi Aggarwal , Muhammad Ahmed , Tasnim Ahmed , Motasem Ajlouni , Mattias Akke , Hussein AlAdwan , Anwaar S. Alazani , Zahra A. Alharbi , Wajd A. Aljulyhi , Mohammed A. AlKubaish , Fatima A. Almahri , Sayed A. Almohri , David Obeh Alobo , Mohammed Alouni , Azizah S. Alqahtani , Omar Alsaigh , Husain Althagafi , Md. Aqib Aman , Lena Ara , Arifin , Ignacio Arretche , Abdulaziz Ashy , Syeda A. Asim , Amro Aswad , Adeel Atta , Sören Auer , Abdullah al Azmi , Toheeb Balogun , Suvo Banik , Viktoriia Baibakova , Shakira A. Baksh , Neus G. Bastús , Christina J. Bayard , Adib Bazgir , Louis Beal , Lejla Biberić , Wahid Billah , Ankita Biswas , Joshua Bocarsly , Montassar T. Bouzidi , Esma B. Boydas , Youssef Briki , Cailin Buchanan , Mauricio Cafiero , Damien Caliste , Yi Cao , Rafael E. Castañeda , Sruthy K. Chandy , Benjamin Charmes , Shayantan Chaudhuri , Yiming Chen , Alexander Chen , Jieneng Chen , Min-Hsueh Chiu , Defne Circi , Cinthya H. Contreras , Yoann Cure , Nathan Daelman , Roshini Dantuluri , Thomas Davy , William Dawson , Leonid Didukh , Rui Ding , Aminu R. Doguwa , Claudia Draxl , Sathya Edamadaka , Oulaya Elargab , Christina Ertural , Matthew L. Evans , Edvin Fako , Hossam Farag , Nur A. Fathurrahman , Merve Fedai , Rodrigo P. Ferreira , Giuseppe Fisicaro , Thomas Frank , Sasi K. Gaddipati , Abhijeet Gangan , Jennifer Garland , James Garrick , Luigi Genovese , Maryam Ghadrdran , Sandip Giri , Maxime Goulet , Jeremy Goumaz , Sara U. Gracia , Jacob Graham , Gabriel Graves , Kevin P. Greenman , Tim Greitemeier , Cameron Gruich , Sophie Gu , Salomé Guilbert , Hans Gundlach , Muriel F. Gusta , Mourad El Haddaoui , Alexander J. Haibel , Anubhab Haldar , Vehaan Handa , Hassan Harb , Nathan D. Harms , Abdullah Al Hasan , Abir Hassan , Qiyao He , Andrés Henao-Aristizábal , Bram Hoex , Sungil Hong , Alexander J. Horvath , Md. Shaib Hossain , Yanqi Huang , Yuqing Huang , Kostiantyn Hubaiev , Donald Intal , Katherine Inzani , Kevin Ishimwe , Tugba Isik , Gopal R. Iyer , Katharina Jager , Jan Janssen , Hyewon Jeong , Michael Jirasek , Tyler R. Josephson , Nisarg Joshi , Yassir Ben Kacem , Remya A. M. Kalapurakal , Rakesh R. Kamath , Sugan Kanagasenthinathan , Dohun Kang , Jason Kantorow , Kübra Kaygisiz , Murat Keceli , Farhana Keya , Muhammad U. Khan , Sartaaj Takrim Khan , Hyungjun Kim , Alexander Kister , Sascha Klawohn , Collin Kovacs , Pranav Krishnan , Maurycy Kryzanowski , Ritesh Kumar , Suman Kumari , Gourav Kumbhojkar , Ryo Kuroki , Shashank Kushwaha , Magdalena Lederbauer , Jaejun Lee , Seunghan Lee , Jeonghwan Lee , Bingcan Li , Calvin Li , Zhanzhao Li , Shi Li , Shicheng Li , Chengyan Liu , Hao Liu , Tung Yan Liu , Yutong Liu , Lucia Vina-Lopez , Chayaphol Lortaraparsert , Andre K. Y. Low , Saffron Luxford , Carlos Madariaga , Rishikesh Magar , Piyush R. Maharana , Rahul Mallela , Shoaib Mahmud , Natesan Mani , Umair Mansoor , Omar B. Mansour , Cassandra Masschelein , Kinga O. Mastej , Ankit Mathanker , Jeffrey Meng , Omran Mezghani , Yidong Ming , Rishav Mitra , Michail Mitsakis , Matthew Miyagishima , Ravikumar Mohan , Naveen R. Mohanraj , Trupti Mohanty , Bernadette Mohr , Francisco A. Molina-Bakhos , Jeremy Monat , Seyed Mohamad Moosavi , Shayan Mousavi , Arman Moussavi , Rubel Mozumber , Muhammad J. Mufti , Diyana Muhammed , Ram Munde , Mrigi Munjal , José A. Márquez , Shankha Nag , Giacomo Nagaro , Juno Nam , Jose M. Napoles-Duarte , Ry Nduma , Xuan-Vu Nguyen , Ebrahim Norouzi , Oluwatosin Ohiro , Ryotaro Okabe , Viejay Ordillo , Shuichiro Ozawa , Sebastian Pagel , Daniel Palmer , Angela Pan , Akash Pandey , Vivek Pandit , Prakul Pandit , Chiku Parida , Jaehee Park , Hyunsoo Park , Hemangi Patel , Shakul Pathak , Taradutt Pattnaik , Elena Patyukova , Noah Paulson , Deepak S. Pendyala , Erick S. Pepek , Martin H. Petersen , Thang D. Pham , Aniket Phutane , Sabila K. Pinky , Étienne Polack , Alison Polasik , Maria Politi , Tim Pongratz , Akhila Ponugoti , Fabio Priante , Thomas Michael Pruyn , Sai S. Puppala , Mohammad A. Qazi , Heike Quosdorf , Gollam Rabby , Mohammad J. Raei , Md. Habibur Rahman , A. B. M. Ashikur Rahman , Subhashree Rajasekaran , Tawfiqur Rakib , Hemanth N. Ramesh , Vrushali Ranadive , Karnamohit Ranka , Bojana Rankovic , Adwaith Ravichandran , Ilija Rašović , Sergei Rigin , Tatem Rios , Varun Rishi , Victor Naden Robinson , Lucas S. Rodrigues , Oswaldo Rodriguez , Mahule Roy , Diptendu Roy , Subhas Roy , Arokia Anto Royan M , Joseph F. Rudzinski , Muhammad Sabih , Subramanyam Sahoo , Srusti Bheem Sain , Thahira Saliya , Vignesh Sampath , Jesus Diaz Sanchez , Arthur S. S. Santos , Muliady Satria , Hasan M. Sayeed , Jörg Schaarschmidt , Philippe Schwaller , Nofit Segal , Abhishec Senthilvel , Sherjeel Shabih , Devanshu Shah , Faezeh Shahmoradi , Samiha Sharlin , Killian Sheriff , Qiuyu Shi , Abubakar D. Shuaibu , Ayesha Siddiqua , M. A. Shadab Siddiqui , Darian Smalley , Benjamin Smith , Taylor D. Sparks , Daniel T. Speckhard , Elena Stojanovska , Akshay Subramanian , Jiwon Sun , Yunkai Sun , Abdul W. Syed , Souvik Ta , Izumi Takahara , Kelly Tallau , Guannan Tang , Ans B. Tariq , Sui X. Tay , Nurlybek Temirbay , Surya P. Tiwari , Febin Tom , Tajah Trapier , Kasidet J. Trerayapiwat , Samanvya Tripathi , Hawra H. Tuhaifa , Mustafa Unal , Mohammad Uzair , Vallabh Vasudevan , Estefania Vazquez , Victor Venturi , Rahul Verma , Ashwini Verma , Alvaro Vazquez-Mayagoitia , Nicholas Wagner , Araki Wakiuchi , Hao Wan , Liaoyaqi Wang , Wolfgang Wenzel , Alexander Wieczorek , Sze H. Wong , Yue Wu , Tong Xie , Andrew Yi , Ziqi Yin , Jodie A. Yuwono , Nahed A. Zaid , Mohd Zaki , Shehtab Zaman , Maimuna U. Zarewa , Mahtab Zehtab , Baosen Zhang , Wenyu Zhang , Melody Zhang , Yangfan Zhang , Yuwen Zhang , Runze Zhang , Zongmin Zhang , Huanhuan Zhao , Yuanlong Bill Zheng , Ramzi Zidani , Xue Zong , Ian Foster , Ben Blaiszik

Most of the existing Large Language Model (LLM) benchmarks on scientific problem reasoning focus on problems grounded in high-school subjects and are confined to elementary algebraic operations. To systematically examine the reasoning…

Computation and Language · Computer Science 2024-07-01 Xiaoxuan Wang , Ziniu Hu , Pan Lu , Yanqiao Zhu , Jieyu Zhang , Satyen Subramaniam , Arjun R. Loomba , Shichang Zhang , Yizhou Sun , Wei Wang

Large language models (LLMs) show promise for improving the efficiency of qualitative analysis in large, multi-site health-services research. Yet methodological guidance for LLM integration into qualitative analysis and evidence of their…

Computation and Language · Computer Science 2026-01-22 Sasha Ronaghi , Emma-Louise Aveling , Maria Levis , Rachel Lauren Ross , Emily Alsentzer , Sara Singer

As the capabilities of large language models (LLMs) continue to advance, evaluating their performance becomes increasingly crucial and challenging. This paper aims to bridge this gap by introducing CMMLU, a comprehensive Chinese benchmark…

Computation and Language · Computer Science 2024-01-19 Haonan Li , Yixuan Zhang , Fajri Koto , Yifei Yang , Hai Zhao , Yeyun Gong , Nan Duan , Timothy Baldwin

With the rise of Large Language Models (LLMs) in recent years, abundant new opportunities are emerging, but also new challenges, among which contamination is quickly becoming critical. Business applications and fundraising in Artificial…

Computation and Language · Computer Science 2025-07-11 Mathieu Ravaut , Bosheng Ding , Fangkai Jiao , Hailin Chen , Xingxuan Li , Ruochen Zhao , Chengwei Qin , Caiming Xiong , Shafiq Joty
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