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Related papers: ChemLLM: A Chemical Large Language Model

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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…

Applications · Statistics 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…

Software Engineering · Computer Science 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…

Computation and Language · Computer Science 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…

Computation and Language · Computer Science 2024-06-07 Anand Subramanian , Viktor Schlegel , Abhinav Ramesh Kashyap , Thanh-Tung Nguyen , Vijay Prakash Dwivedi , Stefan Winkler

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…

Computation and Language · Computer Science 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…

Machine Learning · Computer Science 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…

Computation and Language · Computer Science 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…

Computational Physics · Physics 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…

Computation and Language · Computer Science 2024-07-25 Xiuying Chen , Tairan Wang , Taicheng Guo , Kehan Guo , Juexiao Zhou , Haoyang Li , Mingchen Zhuge , Jürgen Schmidhuber , Xin Gao , Xiangliang Zhang

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…

Computation and Language · Computer Science 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…

Machine Learning · Computer Science 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…

Machine Learning · Computer Science 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,…

Software Engineering · Computer Science 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…

Computation and Language · Computer Science 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…

Computational Engineering, Finance, and Science · Computer Science 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…

Artificial Intelligence · Computer Science 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…

Artificial Intelligence · Computer Science 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…

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