English
Related papers

Related papers: LLMatDesign: Autonomous Materials Discovery with L…

200 papers

Large language models (LLMs) are revolutionizing the field of education by enabling personalized learning experiences tailored to individual student needs. In this paper, we introduce a framework for Adaptive Learning Systems that leverages…

Computers and Society · Computer Science 2025-07-28 Yongjie Li , Ruilin Nong , Jianan Liu , Lucas Evans

Multimodal search has become increasingly important in providing users with a natural and effective way to ex-press their search intentions. Images offer fine-grained details of the desired products, while text allows for easily…

Computer Vision and Pattern Recognition · Computer Science 2024-04-25 Oriol Barbany , Michael Huang , Xinliang Zhu , Arnab Dhua

Large language models (LLMs) have made impressive progress in chemistry applications. However, the community lacks an LLM specifically designed for chemistry. The main challenges are two-fold: firstly, most chemical data and scientific…

Modern software systems are subjected to various types of uncertainties arising from context, environment, etc. To this end, self-adaptation techniques have been sought out as potential solutions. Although recent advances in self-adaptation…

Software Engineering · Computer Science 2024-04-16 Raghav Donakanti , Prakhar Jain , Shubham Kulkarni , Karthik Vaidhyanathan

Conventional mechanical design follows an iterative process in which initial concepts are refined through cycles of expert assessment and resource-intensive Finite Element Method (FEM) analysis to meet performance goals. While machine…

Machine Learning · Computer Science 2025-05-02 Yayati Jadhav , Amir Barati Farimani

Large Language Models (LLMs) have become extremely potent instruments with exceptional capacities for comprehending and producing human-like text in a wide range of applications. However, the increasing size and complexity of LLMs present…

Machine Learning · Computer Science 2024-06-18 Yingbing Huang , Lily Jiaxin Wan , Hanchen Ye , Manvi Jha , Jinghua Wang , Yuhong Li , Xiaofan Zhang , Deming Chen

Large language models (LLMs) represent a significant advancement in integrating physical robots with AI-driven systems. We showcase the capabilities of our framework within the context of the real-world household competition. This research…

Robotics · Computer Science 2025-01-29 Shady Nasrat , Myungsu Kim , Seonil Lee , Jiho Lee , Yeoncheol Jang , Seung-joon Yi

The integration of Large Language Models (LLMs) into the drug discovery and development field marks a significant paradigm shift, offering novel methodologies for understanding disease mechanisms, facilitating drug discovery, and optimizing…

Quantitative Methods · Quantitative Biology 2024-09-10 Yizhen Zheng , Huan Yee Koh , Maddie Yang , Li Li , Lauren T. May , Geoffrey I. Webb , Shirui Pan , George Church

Molecule design is a multifaceted approach that leverages computational methods and experiments to optimize molecular properties, fast-tracking new drug discoveries, innovative material development, and more efficient chemical processes.…

Computation and Language · Computer Science 2024-08-23 Sakhinana Sagar Srinivas , Venkataramana Runkana

Large Language Models (LLMs) have garnered significant attention for several years now. Recently, their use as independently reasoning agents has been proposed. In this work, we test the potential of such agents for knowledge discovery in…

Artificial Intelligence · Computer Science 2026-01-28 Andreas Werbrouck , Marshall B. Lindsay , Matthew Maschmann , Matthias J. Young

This perspective explores the evolution of materials informatics, from its foundational roots in physics and information theory to its maturation through artificial intelligence (AI). We trace the field's trajectory from early milestones to…

Computational Physics · Physics 2026-01-12 Turab Lookman , YuJie Liu , Zhibin Gao

The rapid evolution of artificial intelligence in drug discovery encounters challenges with generalization and extensive training, yet Large Language Models (LLMs) offer promise in reshaping interactions with complex molecular data. Our…

Biomolecules · Quantitative Biology 2024-12-20 He Cao , Zijing Liu , Xingyu Lu , Yuan Yao , Yu Li

This paper provides a comprehensive survey of the latest research on multilingual large language models (MLLMs). MLLMs not only are able to understand and generate language across linguistic boundaries, but also represent an important…

Computation and Language · Computer Science 2024-11-20 Shaolin Zhu , Supryadi , Shaoyang Xu , Haoran Sun , Leiyu Pan , Menglong Cui , Jiangcun Du , Renren Jin , António Branco , Deyi Xiong

Conventional predictive modeling of parametric relationships in manufacturing processes is limited by the subjectivity of human expertise and intuition on the one hand and by the cost and time of experimental data generation on the other…

Computation and Language · Computer Science 2025-06-26 Kiarash Naghavi Khanghah , Anandkumar Patel , Rajiv Malhotra , Hongyi Xu

The synthesis of inorganic crystalline materials is essential for modern technology, especially in quantum materials development. However, designing efficient synthesis workflows remains a significant challenge due to the precise…

Existing works focus on fixed-size layout pattern generation, while the more practical free-size pattern generation receives limited attention. In this paper, we propose ChatPattern, a novel Large-Language-Model (LLM) powered framework for…

Computation and Language · Computer Science 2024-03-26 Zixiao Wang , Yunheng Shen , Xufeng Yao , Wenqian Zhao , Yang Bai , Farzan Farnia , Bei Yu

Recommender systems have traditionally followed modular architectures comprising candidate generation, multi-stage ranking, and re-ranking, each trained separately with supervised objectives and hand-engineered features. While effective in…

Information Retrieval · Computer Science 2025-10-06 Rahul Raja , Anshaj Vats , Arpita Vats , Anirban Majumder

Artificial intelligence is transforming computational materials science, improving the prediction of material properties, and accelerating the discovery of novel materials. Recently, publicly available material data repositories have grown…

Large Language Models (LLMs) have made great strides in areas such as language processing and computer vision. Despite the emergence of diverse techniques to improve few-shot learning capacity, current LLMs fall short in handling the…

Biomolecules · Quantitative Biology 2024-05-14 Xianggen Liu , Yan Guo , Haoran Li , Jin Liu , Shudong Huang , Bowen Ke , Jiancheng Lv

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