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The applications of large language models (LLMs) in various biological domains have been explored recently, but their reasoning ability in complex biological systems, such as pathways, remains underexplored, which is crucial for predicting…

Machine Learning · Computer Science 2025-07-23 Haiteng Zhao , Chang Ma , Fangzhi Xu , Lingpeng Kong , Zhi-Hong Deng

In many scientific fields, large language models (LLMs) have revolutionized the way text and other modalities of data (e.g., molecules and proteins) are handled, achieving superior performance in various applications and augmenting the…

Computation and Language · Computer Science 2024-10-01 Yu Zhang , Xiusi Chen , Bowen Jin , Sheng Wang , Shuiwang Ji , Wei Wang , Jiawei Han

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

Importance: We introduce a novel Retrieval Augmented Generation (RAG)-Large Language Model (LLM) framework as a Clinical Decision Support Systems (CDSS) to support safe medication prescription. Objective: To evaluate the efficacy of…

Large Language Models (LLMs) are becoming ubiquitous to create intelligent virtual assistants that assist users in interacting with a system, as exemplified in marketing. Although LLMs have been discussed in Modeling & Simulation (M&S), the…

Human-Computer Interaction · Computer Science 2024-09-25 Philippe J. Giabbanelli , Jose J. Padilla , Ameeta Agrawal

Algorithm selection, a critical process of automated machine learning, aims to identify the most suitable algorithm for solving a specific problem prior to execution. Mainstream algorithm selection techniques heavily rely on problem…

Machine Learning · Computer Science 2024-05-17 Xingyu Wu , Yan Zhong , Jibin Wu , Bingbing Jiang , Kay Chen Tan

Large Language Models (LLMs) achieve competitive results compared to human experts in medical examinations. However, it remains a challenge to apply LLMs to complex clinical decision-making, which requires a deep understanding of medical…

Equation discovery is aimed at directly extracting physical laws from data and has emerged as a pivotal research domain. Previous methods based on symbolic mathematics have achieved substantial advancements, but often require the design of…

Machine Learning · Computer Science 2024-07-23 Mengge Du , Yuntian Chen , Zhongzheng Wang , Longfeng Nie , Dongxiao Zhang

Large Language Models (LLMs) and multi-agent systems have shown impressive capabilities in natural language tasks but face challenges in clinical trial applications, primarily due to limited access to external knowledge. Recognizing the…

Computation and Language · Computer Science 2024-07-23 Ling Yue , Sixue Xing , Jintai Chen , Tianfan Fu

Recent researches of large language models(LLM), which is pre-trained on massive general-purpose corpora, have achieved breakthroughs in responding human queries. However, these methods face challenges including limited data insufficiency…

Computation and Language · Computer Science 2025-01-07 Yiming Zhang , Zheng Chang , Wentao Cai , MengXing Ren , Kang Yuan , Yining Sun , Zenghui Ding

Large Language Models (LLMs) have emerged as powerful tools in the field of Natural Language Processing (NLP) and have recently gained significant attention in the domain of Recommendation Systems (RS). These models, trained on massive…

Information Retrieval · Computer Science 2024-06-19 Likang Wu , Zhi Zheng , Zhaopeng Qiu , Hao Wang , Hongchao Gu , Tingjia Shen , Chuan Qin , Chen Zhu , Hengshu Zhu , Qi Liu , Hui Xiong , Enhong Chen

Large Language Models (LLMs) have significantly transformed our daily life and established a new paradigm in natural language processing (NLP). However, the predominant pretraining of LLMs on extensive web-based texts remains insufficient…

Chemical Physics · Physics 2024-12-31 Yang Han , Ziping Wan , Lu Chen , Kai Yu , Xin Chen

Large Language Models (LLMs) have gained widespread popularity due to their ability to perform ad-hoc Natural Language Processing (NLP) tasks with a simple natural language prompt. Part of the appeal for LLMs is their approachability to the…

Human-Computer Interaction · Computer Science 2025-02-25 Aditi Mishra , Utkarsh Soni , Anjana Arunkumar , Jinbin Huang , Bum Chul Kwon , Chris Bryan

Chemical Language Models (CLMs) leveraging reinforcement learning (RL) have shown promise in de novo molecular design, yet often suffer from mode collapse, limiting their exploration capabilities. Inspired by Test-Time Training (TTT) in…

Machine Learning · Computer Science 2025-12-04 Morgan Thomas , Albert Bou , Gianni De Fabritiis

The integration of Large Language Models (LLMs) into medical applications has sparked widespread interest across the healthcare industry, from drug discovery and development to clinical decision support, assisting telemedicine, medical…

Computation and Language · Computer Science 2024-12-03 Zifeng Wang , Hanyin Wang , Benjamin Danek , Ying Li , Christina Mack , Hoifung Poon , Yajuan Wang , Pranav Rajpurkar , Jimeng Sun

We study the potential of using large language models (LLMs) as an interactive optimizer for solving maximization problems in a text space using natural language and numerical feedback. Inspired by the classical optimization literature, we…

Artificial Intelligence · Computer Science 2024-06-21 Allen Nie , Ching-An Cheng , Andrey Kolobov , Adith Swaminathan

Current compiler optimization reports often present complex, technical information that is difficult for programmers to interpret and act upon effectively. This paper assesses the capability of large language models (LLM) to understand…

Programming Languages · Computer Science 2025-06-16 Peter Pirkelbauer , Chunhua Liao

The rapid evolution of cyber threats necessitates innovative solutions for detecting and analyzing malicious activity. Honeypots, which are decoy systems designed to lure and interact with attackers, have emerged as a critical component in…

Cryptography and Security · Computer Science 2024-11-05 Hakan T. Otal , M. Abdullah Canbaz

Recent advancements in Recommender Systems (RS) have incorporated Reinforcement Learning (RL), framing the recommendation as a Markov Decision Process (MDP). However, offline RL policies trained on static user data are vulnerable to…

Information Retrieval · Computer Science 2025-01-24 Jie Wang , Alexandros Karatzoglou , Ioannis Arapakis , Joemon M. Jose

Large Language models (LLMs) have shown promise as generators of symbolic control policies, producing interpretable program-like representations through iterative search. However, these models are not capable of separating the functional…

Machine Learning · Computer Science 2025-10-02 Carlo Bosio , Matteo Guarrera , Alberto Sangiovanni-Vincentelli , Mark W. Mueller
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