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相关论文: ChemLLM: A Chemical Large Language Model

200 篇论文

The coding capabilities of large language models (LLMs) have opened up new opportunities for automatic statistical analysis in machine learning and data science. However, before their widespread adoption, it is crucial to assess the…

应用统计 · 统计学 2025-02-26 Xinyi Song , Lina Lee , Kexin Xie , Xueying Liu , Xinwei Deng , Yili Hong

Protein-specific large language models (Protein LLMs) are revolutionizing protein science by enabling more efficient protein structure prediction, function annotation, and design. While existing surveys focus on specific aspects or…

Declarative specifications have a vital role to play in developing safe and dependable software systems. Writing specifications correctly, however, remains particularly challenging. This paper presents a controlled experiment on using large…

软件工程 · 计算机科学 2025-07-22 Yang Hong , Shan Jiang , Yulei Fu , Sarfraz Khurshid

Recently, multimodal large language models (MLLMs) have achieved significant advancements across various domains, and corresponding evaluation benchmarks have been continuously refined and improved. In this process, benchmarks in the…

计算与语言 · 计算机科学 2025-08-20 Jiacheng Ruan , Dan Jiang , Xian Gao , Ting Liu , Yuzhuo Fu , Yangyang Kang

There is vivid research on adapting Large Language Models (LLMs) to perform a variety of tasks in high-stakes domains such as healthcare. Despite their popularity, there is a lack of understanding of the extent and contributing factors that…

This paper presents a study on the integration of domain-specific knowledge in prompt engineering to enhance the performance of large language models (LLMs) in scientific domains. A benchmark dataset is curated to encapsulate the intricate…

计算与语言 · 计算机科学 2024-04-24 Hongxuan Liu , Haoyu Yin , Zhiyao Luo , Xiaonan Wang

Material discovery is a critical area of research with the potential to revolutionize various fields, including carbon capture, renewable energy, and electronics. However, the immense scale of the chemical space makes it challenging to…

机器学习 · 计算机科学 2024-11-01 Anuroop Sriram , Benjamin Kurt Miller , Ricky T. Q. Chen , Brandon M. Wood

Large language models (LLMs), such as ChatGPT/GPT-4, have proven to be powerful tools in promoting the user experience as an AI assistant. The continuous works are proposing multi-modal large language models (MLLM), empowering LLMs with the…

计算与语言 · 计算机科学 2023-10-23 Ziqiang Zheng , Jipeng Zhang , Tuan-Anh Vu , Shizhe Diao , Yue Him Wong Tim , Sai-Kit Yeung

The integration of artificial intelligence into various domains is rapidly increasing, with Large Language Models (LLMs) becoming more prevalent in numerous applications. This work is included in an overall project which aims to train an…

计算物理 · 物理学 2025-01-09 Christophe Bajan , Guillaume Lambard

Question Answering (QA) effectively evaluates language models' reasoning and knowledge depth. While QA datasets are plentiful in areas like general domain and biomedicine, academic chemistry is less explored. Chemical QA plays a crucial…

Business Process Management (BPM) aims to improve organizational activities and their outcomes by managing the underlying processes. To achieve this, it is often necessary to consider information from various sources, including unstructured…

计算与语言 · 计算机科学 2023-07-20 Michael Grohs , Luka Abb , Nourhan Elsayed , Jana-Rebecca Rehse

Chemical Language Models (CLMs) pre-trained on large scale molecular data are widely used for molecular property prediction. However, the common belief that increasing training resources such as model size, dataset size, and training…

机器学习 · 计算机科学 2026-05-14 Tatsuya Sagawa , Ryosuke Kojima

The modeling of bio-molecular system across molecular scales remains a central challenge in scientific research. Large language models (LLMs) are increasingly applied to bio-molecular discovery, yet systematic evaluation across multi-scale…

机器学习 · 计算机科学 2026-04-07 Yaxin Xu , Yue Zhou , Tianyu Zhao , Fengwei An , Zhixiang Ren

General large language models (LLMs), represented by ChatGPT, have demonstrated significant potential in tasks such as code generation in software engineering. This has led to the development of specialized LLMs for software engineering,…

软件工程 · 计算机科学 2024-01-09 Zibin Zheng , Kaiwen Ning , Yanlin Wang , Jingwen Zhang , Dewu Zheng , Mingxi Ye , Jiachi Chen

To address challenges in the digital economy's landscape of digital intelligence, large language models (LLMs) have been developed. Improvements in computational power and available resources have significantly advanced LLMs, allowing their…

计算与语言 · 计算机科学 2024-05-24 Yanxin Zheng , Wensheng Gan , Zefeng Chen , Zhenlian Qi , Qian Liang , Philip S. Yu

Chemical language models (CLMs) are prominent for their effectiveness in exploring chemical space and enabling molecular engineering. However, while exploring chemical-linguistic space, CLMs suffer from the gap between natural language and…

计算工程、金融与科学 · 计算机科学 2025-01-07 Liuzhenghao Lv , Hao Li , Yu Wang , Zhiyuan Yan , Zijun Chen , Zongying Lin , Li Yuan , Yonghong Tian

Large Language Models (LLMs) excel in handling general knowledge tasks, yet they struggle with user-specific personalization, such as understanding individual emotions, writing styles, and preferences. Personalized Large Language Models…

人工智能 · 计算机科学 2025-09-23 Jiahong Liu , Zexuan Qiu , Zhongyang Li , Quanyu Dai , Wenhao Yu , Jieming Zhu , Minda Hu , Menglin Yang , Tat-Seng Chua , Irwin King

This research investigates the application of Large Language Models (LLMs) to augment conversational agents in process mining, aiming to tackle its inherent complexity and diverse skill requirements. While LLM advancements present novel…

人工智能 · 计算机科学 2023-07-20 Urszula Jessen , Michal Sroka , Dirk Fahland

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…

计算与语言 · 计算机科学 2024-11-20 Shaolin Zhu , Supryadi , Shaoyang Xu , Haoran Sun , Leiyu Pan , Menglong Cui , Jiangcun Du , Renren Jin , António Branco , Deyi Xiong