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相关论文: DrugImproverGPT: A Large Language Model for Drug O…

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Background: The potential of large language models (LLMs) to automate and support pharmacoepidemiologic study design is an emerging area of interest, yet their reliability remains insufficiently characterized. General-purpose LLMs often…

Lead optimization in drug discovery requires improving therapeutic properties while ensuring that molecular modifications correspond to feasible synthetic routes. Existing approaches either prioritize property scores without enforcing…

机器学习 · 计算机科学 2026-05-04 Tao Li , Kaiyuan Hou , Tuan Vinh , Monika Raj , Zhichun Guo , Carl Yang

High-throughput phenotyping, the automated mapping of patient signs and symptoms to standardized ontology concepts, is essential to gaining value from electronic health records (EHR) in the support of precision medicine. Despite…

人工智能 · 计算机科学 2024-06-24 Syed I. Munzir , Daniel B. Hier , Chelsea Oommen , Michael D. Carrithers

Recent research leverages large language models (LLMs) for early mental health detection, such as depression, often optimized with machine-generated data. However, their detection may be subject to unknown weaknesses. Meanwhile, quality…

计算与语言 · 计算机科学 2025-05-26 Zongru Shao , Xin Wang , Zhanyang Liu , Chenhan Wang , K. P. Subbalakshmi

General purpose Large Language Models (LLM) such as the Generative Pretrained Transformer (GPT) and Large Language Model Meta AI (LLaMA) have attracted much attention in recent years. There is strong evidence that these models can perform…

计算与语言 · 计算机科学 2024-04-25 Hossein Salami , Brandye Smith-Goettler , Vijay Yadav

Building self-improving AI systems remains a fundamental challenge in the AI domain. We present NNGPT, an open-source framework that turns a large language model (LLM) into a self-improving AutoML engine for neural network development,…

With the rapid development of natural language processing (NLP) technology, large-scale pre-trained language models such as GPT-3 have become a popular research object in NLP field. This paper aims to explore sentiment analysis optimization…

计算与语言 · 计算机科学 2024-05-17 Tong Zhan , Chenxi Shi , Yadong Shi , Huixiang Li , Yiyu Lin

Large language models (LLMs) excel in general tasks but struggle with domain-specific ones, requiring fine-tuning with specific data. With many open-source LLMs available, selecting the best model for fine-tuning downstream tasks is…

计算与语言 · 计算机科学 2025-09-05 Wei Huang , Huang Wei , Yinggui Wang

We present a multi-objective binder design paradigm based on instruction fine-tuning and direct preference optimization (DPO) of autoregressive protein language models (pLMs). Multiple design objectives are encoded in the language model…

生物物理 · 物理学 2024-03-08 Pouria Mistani , Venkatesh Mysore

Recent advances in large language models (LLMs) have shown strong reasoning capabilities through large-scale pretraining and post-training reinforcement learning, demonstrated by DeepSeek-R1. However, current post-training methods, such as…

Large vision-language models (VLMs) fine-tuned on specialized visual instruction-following data have exhibited impressive language reasoning capabilities across various scenarios. However, this fine-tuning paradigm may not be able to…

人工智能 · 计算机科学 2024-10-10 Yuexiang Zhai , Hao Bai , Zipeng Lin , Jiayi Pan , Shengbang Tong , Yifei Zhou , Alane Suhr , Saining Xie , Yann LeCun , Yi Ma , Sergey Levine

Large Language Models (LLMs) have been achieving competent performance on a wide range of downstream tasks, yet existing work shows that inference on structured data is challenging for LLMs. This is because LLMs need to either understand…

计算与语言 · 计算机科学 2024-07-04 Younghun Lee , Sungchul Kim , Ryan A. Rossi , Tong Yu , Xiang Chen

Large language models (LLMs) have been widely adopted in mathematical optimization in scientific scenarios for their extensive knowledge and advanced reasoning capabilities. Existing methods mainly focus on utilizing LLMs to solve…

最优化与控制 · 数学 2025-03-18 Qitan Lv , Tianyu Liu , Hong Wang

Large Language Models (LLMs) have emerged as transformative tools in the healthcare sector, demonstrating remarkable capabilities in natural language understanding and generation. However, their proficiency in numerical reasoning,…

人工智能 · 计算机科学 2025-01-27 Arjun R. Malghan

Combinatorial optimization (CO) problems, central to operation research and theoretical computer science, present significant computational challenges due to their NP-hard nature. While large language models (LLMs) have emerged as promising…

机器学习 · 计算机科学 2025-06-16 Xijun Li , Jiexiang Yang , Jinghao Wang , Bo Peng , Jianguo Yao , Haibing Guan

Large language models (LLMs) have significant potential to improve operational efficiency in operations management. Deploying these models requires specifying a policy that governs response quality, shapes user experience, and influences…

机器学习 · 计算机科学 2026-04-13 Mingjie Hu , Siyang Gao , Jian-qiang Hu , Enlu Zhou

Large language models (LLMs) are increasingly used in various domains, showing impressive potential on different tasks. Recently, reasoning LLMs have been proposed to improve the \textit{reasoning} or \textit{thinking} capabilities of LLMs…

人工智能 · 计算机科学 2025-10-22 Jiahao Yu , Zelei Cheng , Xian Wu , Xinyu Xing

Recent advances in Large Language Model (LLM) agents have demonstrated their promising general capabilities. However, their performance in specialized real-world domains often degrades due to challenges in effectively integrating external…

计算与语言 · 计算机科学 2025-10-10 Yuzheng Cai , Siqi Cai , Yuchen Shi , Zihan Xu , Lichao Chen , Yulei Qin , Xiaoyu Tan , Gang Li , Zongyi Li , Haojia Lin , Yong Mao , Ke Li , Xing Sun

Large Language Models (LLMs) have shown promise in solving complex mathematical problems, yet they still fall short of producing accurate and consistent solutions. Reinforcement Learning (RL) is a framework for aligning these models with…

人工智能 · 计算机科学 2026-02-10 Ali Hatamizadeh , Shrimai Prabhumoye , Igor Gitman , Ximing Lu , Seungju Han , Wei Ping , Yejin Choi , Jan Kautz

Large Language Models (LLMs) have shown remarkable success in supporting a wide range of knowledge-intensive tasks. In specialized domains, there is growing interest in leveraging LLMs to assist subject matter experts with domain-specific…