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Multi-modal Large Language Models (MLLMs) are increasingly prominent in the field of artificial intelligence. These models not only excel in traditional vision-language tasks but also demonstrate impressive performance in contemporary…

Computer Vision and Pattern Recognition · Computer Science 2023-12-06 Xiaotian Han , Quanzeng You , Yongfei Liu , Wentao Chen , Huangjie Zheng , Khalil Mrini , Xudong Lin , Yiqi Wang , Bohan Zhai , Jianbo Yuan , Heng Wang , Hongxia Yang

Molecular optimization is a central task in drug discovery that requires precise structural reasoning and domain knowledge. While large language models (LLMs) have shown promise in generating high-level editing intentions in natural…

Machine Learning · Computer Science 2025-10-17 Wenyu Zhu , Chengzhu Li , Xiaohe Tian , Yifan Wang , Yinjun Jia , Jianhui Wang , Bowen Gao , Ya-Qin Zhang , Wei-Ying Ma , Yanyan Lan

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…

Artificial Intelligence · Computer Science 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

Molecular optimization is a key challenge in drug discovery and material science domain, involving the design of molecules with desired properties. Existing methods focus predominantly on single-property optimization, necessitating…

Machine Learning · Computer Science 2024-09-13 Aye Phyu Phyu Aung , Jay Chaudhary , Ji Wei Yoon , Senthilnath Jayavelu

Large Language Models (LLMs) have the potential to accelerate small molecule drug design due to their ability to reason about information from diverse sources and formats. However, their practical utility remains unclear due to the lack of…

The rapid development of the Large Language Model (LLM) presents huge opportunities for 6G communications, e.g., network optimization and management by allowing users to input task requirements to LLMs by nature language. However, directly…

Artificial Intelligence · Computer Science 2023-12-14 Feibo Jiang , Li Dong , Yubo Peng , Kezhi Wang , Kun Yang , Cunhua Pan , Dusit Niyato , Octavia A. Dobre

Recently, to comprehensively improve Vision Language Models (VLMs) for Visual Question Answering (VQA), several methods have been proposed to further reinforce the inference capabilities of VLMs to independently tackle VQA tasks rather than…

Computer Vision and Pattern Recognition · Computer Science 2025-02-17 Zeqing Wang , Wentao Wan , Qiqing Lao , Runmeng Chen , Minjie Lang , Xiao Wang , Keze Wang , Liang Lin

Understanding and reasoning over tables is a critical capability for many real-world applications. Large language models (LLMs) have shown promise on this task, but current approaches remain limited. Fine-tuning based methods strengthen…

Context: Manual qualitative data analysis is time-intensive and can compromise validity and replicability, affecting analysis design, implementation, and reporting. Large Language Models (LLMs) enable human-bot collaboration in Software…

Software Engineering · Computer Science 2025-10-14 Zeeshan Rasheed , Muhammad Waseem , Aakash Ahmad , Kai-Kristian Kemell , Wang Xiaofeng , Anh Nguyen Duc , Pekka Abrahamsson

Open-source pre-trained Large Language Models (LLMs) exhibit strong language understanding and generation capabilities, making them highly successful in a variety of tasks. However, when used as agents for dealing with complex problems in…

Computation and Language · Computer Science 2024-04-01 Qinhao Zhou , Zihan Zhang , Xiang Xiang , Ke Wang , Yuchuan Wu , Yongbin Li

Cryptocurrency investment is inherently difficult due to its shorter history compared to traditional assets, the need to integrate vast amounts of data from various modalities, and the requirement for complex reasoning. While deep learning…

Trading and Market Microstructure · Quantitative Finance 2025-01-08 Yichen Luo , Yebo Feng , Jiahua Xu , Paolo Tasca , Yang Liu

Chain-of-thought prompting significantly boosts the reasoning ability of large language models but still faces three issues: hallucination problem, restricted interpretability, and uncontrollable generation. To address these challenges, we…

Computation and Language · Computer Science 2024-09-20 Chen Liang , Zhifan Feng , Zihe Liu , Wenbin Jiang , Jinan Xu , Yufeng Chen , Yong Wang

Large Language Model (LLM) based multi-agent systems (MAS) show remarkable potential in collaborative problem-solving, yet they still face critical challenges: low communication efficiency, poor scalability, and a lack of effective…

Computation and Language · Computer Science 2025-02-19 Weize Chen , Jiarui Yuan , Chen Qian , Cheng Yang , Zhiyuan Liu , Maosong Sun

Chemical reasoning usually involves complex, multi-step processes that demand precise calculations, where even minor errors can lead to cascading failures. Furthermore, large language models (LLMs) encounter difficulties handling…

Computation and Language · Computer Science 2025-01-14 Xiangru Tang , Tianyu Hu , Muyang Ye , Yanjun Shao , Xunjian Yin , Siru Ouyang , Wangchunshu Zhou , Pan Lu , Zhuosheng Zhang , Yilun Zhao , Arman Cohan , Mark Gerstein

Emerging reasoning models hold promise for automating scientific discovery. However, their training is hindered by a critical supervision gap: experimental outcomes are abundant, whereas intermediate reasoning steps are rarely documented at…

Biomolecules · Quantitative Biology 2026-03-24 Zequn Liu , Kehan Wu , Shufang Xie , Zekun Guo , Wei Zhang , Tao Qin , Renhe Liu , Yingce Xia

Medical Large Vision-Language Models (Med-LVLMs) have shown strong potential in multimodal diagnostic tasks. However, existing single-agent models struggle to generalize across diverse medical specialties, limiting their performance. Recent…

Machine Learning · Computer Science 2026-01-27 Peng Xia , Jinglu Wang , Yibo Peng , Kaide Zeng , Zihan Dong , Xian Wu , Xiangru Tang , Hongtu Zhu , Yun Li , Linjun Zhang , Shujie Liu , Yan Lu , Huaxiu Yao

Query Optimization (QO) has become essential for enhancing Large Language Model (LLM) effectiveness, particularly in Retrieval-Augmented Generation (RAG) systems where query quality directly determines retrieval and response performance.…

Computation and Language · Computer Science 2026-03-04 Mingyang Song , Mao Zheng

LLM agents have incredible potential for scientific discovery applications. However, the performance of LLM agents on real-world, small molecule drug design (SMDD) tasks across diverse chemistries and targets is unclear. Current evaluation…

Artificial Intelligence · Computer Science 2026-05-26 Kevin Han , Renfei Zhang , Kathy Wei , Hamed Mahdavi , Niloofar Mireshghallah , Amir Barati Farimani

Large Language Models (LLMs) have shown remarkable capabilities in solving diverse tasks. However, their proficiency in iteratively optimizing complex solutions through learning from previous feedback remains insufficiently explored. To…

Artificial Intelligence · Computer Science 2025-06-13 Xiaozhe Li , Jixuan Chen , Xinyu Fang , Shengyuan Ding , Haodong Duan , Qingwen Liu , Kai Chen

Large Language Models (LLMs) have achieved remarkable success across a wide array of tasks. Due to the impressive planning and reasoning abilities of LLMs, they have been used as autonomous agents to do many tasks automatically. Recently,…

Computation and Language · Computer Science 2024-04-22 Taicheng Guo , Xiuying Chen , Yaqi Wang , Ruidi Chang , Shichao Pei , Nitesh V. Chawla , Olaf Wiest , Xiangliang Zhang
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