English
Related papers

Related papers: Automated Retrosynthesis Planning of Macromolecule…

200 papers

The rapid development of the Large Language Model (LLM) presents huge opportunities for 6G communications, e.g., network optimization and management by allowing users to input task requirements to LLMs by nature language. However, directly…

Artificial Intelligence · Computer Science 2023-12-14 Feibo Jiang , Li Dong , Yubo Peng , Kezhi Wang , Kun Yang , Cunhua Pan , Dusit Niyato , Octavia A. Dobre

Large Language Models (LLMs) have shown promising results on various language and vision tasks. Recently, there has been growing interest in applying LLMs to graph-based tasks, particularly on Text-Attributed Graphs (TAGs). However, most…

Machine Learning · Computer Science 2024-06-10 Zhongmou He , Jing Zhu , Shengyi Qian , Joyce Chai , Danai Koutra

Large Language Models (LLMs) stand at the forefront of a number of Natural Language Processing (NLP) tasks. Despite the widespread adoption of LLMs in NLP, much of their potential in broader fields remains largely unexplored, and…

Machine Learning · Computer Science 2024-03-11 Zhiqiang Zhong , Kuangyu Zhou , Davide Mottin

The integration of large language models (LLMs) into intelligent tutoring systems offers transformative potential for personalized learning in higher education. However, most existing learning path planning approaches lack transparency,…

Artificial Intelligence · Computer Science 2026-01-27 Haoxin Xu , Changyong Qi , Tong Liu , Bohao Zhang , Anna He , Bingqian Jiang , Longwei Zheng , Xiaoqing Gu

Large language models (LLMs) offer significant potential to accelerate systematic literature reviews (SLRs), yet current approaches often rely on brittle, manually crafted prompts that compromise reliability and reproducibility. This…

Computation and Language · Computer Science 2025-09-03 Teo Susnjak

Recent advances in large language models (LLMs) have shown great potential to accelerate drug discovery. However, the specialized nature of biochemical data often necessitates costly domain-specific fine-tuning, posing major challenges.…

Machine Learning · Computer Science 2025-11-17 Namkyeong Lee , Edward De Brouwer , Ehsan Hajiramezanali , Tommaso Biancalani , Chanyoung Park , Gabriele Scalia

This paper presents the development and application of a Large Language Model Retrieval-Augmented Generation (LLM-RAG) system tailored for nanotechnology research. The system leverages the capabilities of a sophisticated language model to…

Computation and Language · Computer Science 2025-03-03 Achuth Chandrasekhar , Omid Barati Farimani , Olabode T. Ajenifujah , Janghoon Ock , Amir Barati Farimani

While Large Language Models (LLMs) have achieved remarkable success in code generation, they often struggle with the deep, long-horizon reasoning required for complex software engineering. We attribute this limitation to the nature of…

Large language models (LLMs) have emerged as powerful tools for knowledge-intensive tasks across domains. In materials science, to find novel materials for various energy efficient devices for various real-world applications, requires…

Materials Science · Physics 2025-08-12 Agada Joseph Oche , Arpan Biswas

High-level synthesis (HLS) allows hardware designers to create hardware designs with high-level programming languages like C/C++/OpenCL, which greatly improves hardware design productivity. However, existing HLS flows require programmers'…

Hardware Architecture · Computer Science 2024-10-11 Haocheng Xu , Haotian Hu , Sitao Huang

Large language models (LLMs) have significantly advanced the field of natural language generation. However, they frequently generate unverified outputs, which compromises their reliability in critical applications. In this study, we propose…

Computation and Language · Computer Science 2025-02-18 Alexandru Lecu , Adrian Groza , Lezan Hawizy

Supply chain networks are critical to the operational efficiency of industries, yet their increasing complexity presents significant challenges in mapping relationships and identifying the roles of various entities. Traditional methods for…

Machine Learning · Computer Science 2024-10-18 Tong Liu , Hadi Meidani

Scientific discovery plays a pivotal role in advancing human society, and recent progress in large language models (LLMs) suggests their potential to accelerate this process. However, it remains unclear whether LLMs can autonomously…

Computation and Language · Computer Science 2025-10-28 Zonglin Yang , Wanhao Liu , Ben Gao , Tong Xie , Yuqiang Li , Wanli Ouyang , Soujanya Poria , Erik Cambria , Dongzhan Zhou

Supply Chain Management requires addressing a variety of complex decision-making challenges, from sourcing strategies to planning and execution. Over the last few decades, advances in computation and information technologies have enabled…

Artificial Intelligence · Computer Science 2025-07-30 David Simchi-Levi , Konstantina Mellou , Ishai Menache , Jeevan Pathuri

While large language models (LLMs) have demonstrated remarkable versatility across a wide range of general tasks, their effectiveness often diminishes in domain-specific applications due to inherent knowledge gaps. Moreover, their…

Artificial Intelligence · Computer Science 2025-11-21 Hanzhi Yan , Qin Lu , Xianqiao Wang , Xiaoming Zhai , Tianming Liu , He Li

Analogical reasoning, the transfer of relational structures across contexts (e.g., planet is to sun as electron is to nucleus), is fundamental to scientific discovery. Yet human insight is often constrained by domain expertise and…

Machine Learning · Computer Science 2025-10-28 Hongyu Guo

Materials design often relies on human-generated hypotheses, a process inherently limited by cognitive constraints such as knowledge gaps and limited ability to integrate and extract knowledge implications, particularly when…

The inherent probabilistic nature of Large Language Models (LLMs) introduces an element of unpredictability, raising concerns about potential discrepancies in their output. This paper introduces an innovative approach aims to generate…

Robotics · Computer Science 2024-02-23 Md Sadman Sakib , Yu Sun

Autonomous agents driven by Large Language Models (LLMs) offer enormous potential for automation. Early proof of this technology can be found in various demonstrations of agents solving complex tasks, interacting with external systems to…

Large language models (LLMs) have rapidly evolved from text generators into powerful problem solvers. Yet, many open tasks demand critical thinking, multi-source, and verifiable outputs, which are beyond single-shot prompting or standard…