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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

Existing large language models (LLMs) show exceptional problem-solving capabilities but might struggle with complex reasoning tasks. Despite the successes of chain-of-thought and tree-based search methods, they mainly depend on the internal…

Computation and Language · Computer Science 2024-12-18 Jinhao Jiang , Jiayi Chen , Junyi Li , Ruiyang Ren , Shijie Wang , Wayne Xin Zhao , Yang Song , Tao Zhang

Large language models (LLMs) have been extensively studied for their abilities to generate convincing natural language sequences, however their utility for quantitative information retrieval is less well understood. Here we explore the…

Reasoning is an important task for large language models (LLMs). Among all the reasoning paradigms, inductive reasoning is one of the fundamental types, which is characterized by its particular-to-general thinking process and the…

Computation and Language · Computer Science 2026-04-14 Kedi Chen , Dezhao Ruan , Yuhao Dan , Yaoting Wang , Siyu Yan , Xuecheng Wu , Yinqi Zhang , Qin Chen , Jie Zhou , Liang He , Biqing Qi , Linyang Li , Qipeng Guo , Xiaoming Shi , Wei Zhang

Existing large language models (LLMs) driven search agents typically rely on prompt engineering to decouple the user queries into search plans, limiting their effectiveness in complex scenarios requiring reasoning. Furthermore, they suffer…

Information Retrieval · Computer Science 2025-05-27 Jinzheng Li , Sibo Ju , Yanzhou Su , Hongguang Li , Yiqing Shen

Process discovery aims to derive process models from event logs, providing insights into operational behavior and forming a foundation for conformance checking and process improvement. However, models derived solely from event data may not…

Artificial Intelligence · Computer Science 2025-10-09 Ali Norouzifar , Humam Kourani , Marcus Dees , Wil van der Aalst

Small language models (SLMs) enable low-cost, private, on-device inference, but they often fail on problems that require specialized domain knowledge or multi-step reasoning. Existing approaches for improving reasoning either rely on scale…

Computation and Language · Computer Science 2026-01-08 Kenan Alkiek , David Jurgens , Vinod Vydiswaran

Large language models (LLMs) typically improve performance by either retrieving semantically similar information, or enhancing reasoning abilities through structured prompts like chain-of-thought. While both strategies are considered…

Computation and Language · Computer Science 2024-10-16 Yejin Kim , Eojin Kang , Juae Kim , H. Howie Huang

Large Language Models (LLMs) offer promising capabilities for tackling complex reasoning tasks, including optimization problems. However, existing methods either rely on prompt engineering, which leads to poor generalization across problem…

Machine Learning · Computer Science 2025-10-23 Dong Li , Xujiang Zhao , Linlin Yu , Yanchi Liu , Wei Cheng , Zhengzhang Chen , Zhong Chen , Feng Chen , Chen Zhao , Haifeng Chen

Large Language Models (LLMs) have demonstrated remarkable improvements in reasoning and planning through increased test-time compute, often by framing problem-solving as a search process. While methods like Monte Carlo Tree Search (MCTS)…

Artificial Intelligence · Computer Science 2025-06-06 Nathan Herr , Tim Rocktäschel , Roberta Raileanu

Large Language Models (LLMs) have demonstrated promising capabilities in solving mathematical reasoning tasks, leveraging Chain-of-Thought (CoT) data as a vital component in guiding answer generation. Current paradigms typically generate…

Computation and Language · Computer Science 2025-03-20 Honglin Lin , Zhuoshi Pan , Yu Li , Qizhi Pei , Xin Gao , Mengzhang Cai , Conghui He , Lijun Wu

Large language models (LLMs) often struggle with context fidelity, producing inconsistent answers when responding to questions based on provided information. Existing approaches either rely on expensive supervised fine-tuning to generate…

Computation and Language · Computer Science 2025-09-18 Suyuchen Wang , Jinlin Wang , Xinyu Wang , Shiqi Li , Xiangru Tang , Sirui Hong , Xiao-Wen Chang , Chenglin Wu , Bang Liu

Large language models (LLMs) have recently shown remarkable performance in language tasks and beyond. However, due to their limited inherent causal reasoning ability, LLMs still face challenges in handling tasks that require robust causal…

Computation and Language · Computer Science 2025-03-13 Xin Li , Zhuo Cai , Shoujin Wang , Kun Yu , Fang Chen

We propose a novel framework for comprehending the reasoning capabilities of large language models (LLMs) through the perspective of meta-learning. By conceptualizing reasoning trajectories as pseudo-gradient descent updates to the LLM's…

Computation and Language · Computer Science 2025-05-27 Junnan Liu , Hongwei Liu , Linchen Xiao , Shudong Liu , Taolin Zhang , Zihan Ma , Songyang Zhang , Kai Chen

Large Language Models (LLMs) have achieved significant advances in reasoning tasks. A key approach is tree-based search with verifiers, which expand candidate reasoning paths and use reward models to guide pruning and selection. Although…

Artificial Intelligence · Computer Science 2025-10-01 Yingqian Cui , Zhenwei Dai , Pengfei He , Bing He , Hui Liu , Xianfeng Tang , Jingying Zeng , Suhang Wang , Yue Xing , Jiliang Tang , Benoit Dumoulin

Table reasoning, which aims to generate the corresponding answer to the question following the user requirement according to the provided table, and optionally a text description of the table, effectively improving the efficiency of…

Computation and Language · Computer Science 2024-02-14 Xuanliang Zhang , Dingzirui Wang , Longxu Dou , Qingfu Zhu , Wanxiang Che

The use of knowledge graphs in recommender systems has become one of the common approaches to addressing data sparsity and cold start problems. Recent advances in large language models (LLMs) offer new possibilities for processing side and…

Information Retrieval · Computer Science 2025-02-13 Minhye Jeon , Seokho Ahn , Young-Duk Seo

Despite their remarkable capabilities, large language models often struggle with tasks requiring complex reasoning and planning. While existing approaches like Chain-of-Thought prompting and tree search techniques show promise, they are…

Machine Learning · Computer Science 2025-02-12 Yang Li

Large Language Models (LLMs) have emerged as a promising paradigm for next-generation recommender systems, offering strong semantic understanding and natural-language reasoning abilities. Despite recent progress, current LLM-based…

Information Retrieval · Computer Science 2026-05-11 Shijun Li , Wooseong Yang , Yu Wang , Tianxin Wei , Joydeep Ghosh

Large language models (LLMs) are probabilistic in nature and perform more reliably when augmented with external information. As complex queries often require multi-step reasoning over the retrieved information, with no clear or…

Information Retrieval · Computer Science 2026-04-10 Roxana Petcu , Evangelos Kanoulas , Maarten de Rijke
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