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Recently, the astonishing performance of large language models (LLMs) in natural language comprehension and generation tasks triggered lots of exploration of using them as central controllers to build agent systems. Multiple studies focus…

Computer Vision and Pattern Recognition · Computer Science 2025-04-14 Chenyu Wang , Weixin Luo , Sixun Dong , Xiaohua Xuan , Zhengxin Li , Lin Ma , Shenghua Gao

Multimodal Large Models (MLMs) are becoming a significant research focus, combining powerful large language models with multimodal learning to perform complex tasks across different data modalities. This review explores the latest…

Machine Learning · Computer Science 2024-07-02 Xinji Mai , Zeng Tao , Junxiong Lin , Haoran Wang , Yang Chang , Yanlan Kang , Yan Wang , Wenqiang Zhang

Multimodal artificial intelligence (AI) systems have the potential to enhance clinical decision-making by interpreting various types of medical data. However, the effectiveness of these models across all medical fields is uncertain. Each…

The discovery of novel small molecule drugs remains a critical scientific challenge with far-reaching implications for treating diseases and advancing human health. Traditional drug development--especially for small molecule…

Biomolecules · Quantitative Biology 2025-04-01 Bowen Gao , Yanwen Huang , Yiqiao Liu , Wenxuan Xie , Wei-Ying Ma , Ya-Qin Zhang , Yanyan Lan

As healthcare increasingly turns to AI for scalable and trustworthy clinical decision support, ensuring reliability in model reasoning remains a critical challenge. Individual large language models (LLMs) are susceptible to hallucinations…

Machine Learning · Computer Science 2025-12-05 Huascar Sanchez , Briland Hitaj , Jules Bergmann , Linda Briesemeister

Demonstration ordering, which is an important strategy for in-context learning (ICL), can significantly affects the performance of large language models (LLMs). However, most of the current approaches of ordering require high computational…

Computation and Language · Computer Science 2024-06-18 Yinpeng Liu , Jiawei Liu , Xiang Shi , Qikai Cheng , Yong Huang , Wei Lu

Predicting molecular properties is a critical component of drug discovery. Recent advances in deep learning, particularly Graph Neural Networks (GNNs), have enabled end-to-end learning from molecular structures, reducing reliance on manual…

Computation and Language · Computer Science 2025-09-26 Peng Zhou , Lai Hou Tim , Zhixiang Cheng , Kun Xie , Chaoyi Li , Wei Liu , Xiangxiang Zeng

Multimodal information retrieval (MMIR) has gained attention for its flexibility in handling text, images, or mixed queries and candidates. Recent breakthroughs in multimodal large language models (MLLMs) boost MMIR performance by…

Information Retrieval · Computer Science 2026-02-27 Dawei Su , Dongsheng Wang

In recent years, instruction tuning has gained increasing attention and emerged as a crucial technique to enhance the capabilities of Large Language Models (LLMs). To construct high-quality instruction datasets, many instruction processing…

Computation and Language · Computer Science 2024-06-25 Yixin Ou , Ningyu Zhang , Honghao Gui , Ziwen Xu , Shuofei Qiao , Yida Xue , Runnan Fang , Kangwei Liu , Lei Li , Zhen Bi , Guozhou Zheng , Huajun Chen

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

Large Language Models (LLMs) demonstrate strong performance in real-world applications, yet existing open-source instruction datasets often concentrate on narrow domains, such as mathematics or coding, limiting generalization and widening…

Computation and Language · Computer Science 2025-06-16 Jijie Li , Li Du , Hanyu Zhao , Bo-wen Zhang , Liangdong Wang , Boyan Gao , Guang Liu , Yonghua Lin

The success of language models, especially transformer-based architectures, has trickled into other domains giving rise to "scientific language models" that operate on small molecules, proteins or polymers. In chemistry, language models…

Chemical Physics · Physics 2024-10-22 Nikita Janakarajan , Tim Erdmann , Sarath Swaminathan , Teodoro Laino , Jannis Born

In-context learning (ICL) allows large models to adapt to tasks using a few examples, yet its extension to vision-language models (VLMs) remains fragile. Our analysis reveals that the fundamental limitation lies in an inductive gap, models…

Computer Vision and Pattern Recognition · Computer Science 2026-05-05 Haoyu Wang , Haonan Wang , Yuyan Chen , Jun Chen , Gang Liu , Qian Wang , Jiahong Yan , Yanghua Xiao

Multimodal large language models (MLLMs) have shown remarkable potential in various domains, yet their application in the medical field is hindered by several challenges. General-purpose MLLMs often lack the specialized knowledge required…

Artificial Intelligence · Computer Science 2025-09-29 Guanghao Zhu , Zhitian Hou , Zeyu Liu , Zhijie Sang , Congkai Xie , Hongxia Yang

Automated molecular structure elucidation remains challenging, as existing approaches often depend on pre-compiled databases or restrict themselves to single spectroscopic modalities. Here we introduce SpectraLLM, a large language model…

Quantitative Methods · Quantitative Biology 2026-05-12 Yunyue Su , Jiahui Chen , Zao Jiang , Zhenyi Zhong , Liang Wang , Qiang Liu , Zhaoxiang Zhang

This paper explores the use of Large Language Models (LLMs) for sequential recommendation, which predicts users' future interactions based on their past behavior. We introduce a new concept, "Integrating Recommendation Systems as a New…

Information Retrieval · Computer Science 2024-12-24 Kai Zheng , Qingfeng Sun , Can Xu , Peng Yu , Qingwei Guo

Continual instruction tuning enables large language models (LLMs) to learn incrementally while retaining past knowledge, whereas existing methods primarily focus on how to retain old knowledge rather than on selecting which new knowledge to…

Computation and Language · Computer Science 2025-03-21 Peiyi Lin , Fukai Zhang , Kai Niu , Hao Fu

Contemporary large language models (LLMs), such as GPT-4 and Llama, have harnessed extensive computational power and diverse text corpora to achieve remarkable proficiency in interpreting and generating domain-specific content, including…

Machine Learning · Computer Science 2025-10-07 Tianren Zhang , Dai-Bei Yang

We introduce LLaVA-MoD, a novel framework designed to enable the efficient training of small-scale Multimodal Language Models (s-MLLM) by distilling knowledge from large-scale MLLM (l-MLLM). Our approach tackles two fundamental challenges…

Computer Vision and Pattern Recognition · Computer Science 2024-10-24 Fangxun Shu , Yue Liao , Le Zhuo , Chenning Xu , Lei Zhang , Guanghao Zhang , Haonan Shi , Long Chen , Tao Zhong , Wanggui He , Siming Fu , Haoyuan Li , Bolin Li , Zhelun Yu , Si Liu , Hongsheng Li , Hao Jiang

Recent progress in Large Language Models (LLMs) has drawn attention to their potential for accelerating drug discovery. However, a central problem remains: translating theoretical ideas into robust implementations in the highly specialized…

Machine Learning · Computer Science 2025-03-06 Sizhe Liu , Yizhou Lu , Siyu Chen , Xiyang Hu , Jieyu Zhao , Yingzhou Lu , Yue Zhao