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相关论文: ChemMLLM: Chemical Multimodal Large Language Model

200 篇论文

As a prominent direction of Artificial General Intelligence (AGI), Multimodal Large Language Models (MLLMs) have garnered increased attention from both industry and academia. Building upon pre-trained LLMs, this family of models further…

计算机视觉与模式识别 · 计算机科学 2024-12-10 Chaoyou Fu , Yi-Fan Zhang , Shukang Yin , Bo Li , Xinyu Fang , Sirui Zhao , Haodong Duan , Xing Sun , Ziwei Liu , Liang Wang , Caifeng Shan , Ran He

Large Language Models (LLMs) have revolutionised the field of Natural Language Processing (NLP) and have achieved state-of-the-art performance in practically every task in this field. However, the prevalent approach used in text generation,…

计算与语言 · 计算机科学 2024-08-12 Nicolo Micheletti , Samuel Belkadi , Lifeng Han , Goran Nenadic

Connecting text and visual modalities plays an essential role in generative intelligence. For this reason, inspired by the success of large language models, significant research efforts are being devoted to the development of Multimodal…

Multimodal Large Language Models (MLLMs) have seen growing adoption across various scientific disciplines. These advancements encourage the investigation of molecule-text modeling within synthetic chemistry, a field dedicated to designing…

机器学习 · 计算机科学 2024-06-21 He Cao , Yanjun Shao , Zhiyuan Liu , Zijing Liu , Xiangru Tang , Yuan Yao , Yu Li

Rapid advancements in imaging techniques and analytical methods over the past decade have revolutionized our ability to comprehensively probe the biological world at multiple scales, pinpointing the type, quantity, location, and even…

人工智能 · 计算机科学 2025-10-02 Shanghang Zhang , Gaole Dai , Tiejun Huang , Jianxu Chen

Multimodal scientific reasoning remains a significant challenge for large language models (LLMs), particularly in chemistry, where problem-solving relies on symbolic diagrams, molecular structures, and structured visual data. Here, we…

计算与语言 · 计算机科学 2025-12-18 Yiming Cui , Xin Yao , Yuxuan Qin , Xin Li , Shijin Wang , Guoping Hu

The rapid development of Artificial Intelligence (AI) has revolutionized numerous fields, with large language models (LLMs) and computer vision (CV) systems driving advancements in natural language understanding and visual processing,…

The rise of Multimodal Large Language Models (MLLMs) has become a transformative force in the field of artificial intelligence, enabling machines to process and generate content across multiple modalities, such as text, images, audio, and…

In the past year, Multimodal Large Language Models (MLLMs) have demonstrated remarkable performance in tasks such as visual question answering, visual understanding and reasoning. However, the extensive model size and high training and…

计算机视觉与模式识别 · 计算机科学 2026-01-23 Yizhang Jin , Jian Li , Yexin Liu , Tianjun Gu , Kai Wu , Zhengkai Jiang , Muyang He , Bo Zhao , Xin Tan , Zhenye Gan , Yabiao Wang , Chengjie Wang , Lizhuang Ma

While Vision-Language Models (VLMs) have demonstrated significant potential in chemical visual understanding, current models are predominantly optimized for direct visual question-answering tasks. This paradigm often results in "black-box"…

计算与语言 · 计算机科学 2026-04-09 Xuanle Zhao , Xinyuan Cai , Xiang Cheng , Xiuyi Chen , Bo Xu

Large language models (LLMs) have emerged as powerful tools in chemistry, significantly impacting molecule design, property prediction, and synthesis optimization. This review highlights LLM capabilities in these domains and their potential…

机器学习 · 计算机科学 2024-11-18 Mayk Caldas Ramos , Christopher J. Collison , Andrew D. White

In recent years, multimodal large language models (MLLMs) have shown remarkable capabilities in tasks like visual question answering and common sense reasoning, while visual perception models have made significant strides in perception…

计算机视觉与模式识别 · 计算机科学 2024-06-25 Guanqun Wang , Xinyu Wei , Jiaming Liu , Ray Zhang , Yichi Zhang , Kevin Zhang , Maurice Chong , Shanghang Zhang

Multimodal large language models (MLLMs) have broadened the scope of AI applications. Existing automatic evaluation methodologies for MLLMs are mainly limited in evaluating queries without considering user experiences, inadequately…

To fully expedite AI-powered chemical research, high-quality chemical databases are the foundation. Automatic extraction of chemical information from the literature is essential for constructing reaction databases, but it is currently…

人工智能 · 计算机科学 2026-03-09 Yufan Chen , Ching Ting Leung , Bowen Yu , Jianwei Sun , Yong Huang , Linyan Li , Hao Chen , Hanyu Gao

Molecular Relational Learning (MRL) aims to understand interactions between molecular pairs, playing a critical role in advancing biochemical research. With the recent development of large language models (LLMs), a growing number of studies…

机器学习 · 计算机科学 2025-06-03 Zhuo Chen , Yizhen Zheng , Huan Yee Koh , Hongxin Xiang , Linjiang Chen , Wenjie Du , Yang Wang

Although multimodal large language models (MLLMs) have achieved promising results on a wide range of vision-language tasks, their ability to perceive and understand human faces is rarely explored. In this work, we comprehensively evaluate…

计算机视觉与模式识别 · 计算机科学 2024-10-29 Haomiao Sun , Mingjie He , Tianheng Lian , Hu Han , Shiguang Shan

Understanding molecules is key to understanding organisms and driving advances in drug discovery, requiring interdisciplinary knowledge across chemistry and biology. Although large molecular language models have achieved notable success in…

机器学习 · 计算机科学 2025-10-03 Dongki Kim , Wonbin Lee , Sung Ju Hwang

Chemical reaction and retrosynthesis prediction are fundamental tasks in drug discovery. Recently, large language models (LLMs) have shown potential in many domains. However, directly applying LLMs to these tasks faces two major challenges:…

机器学习 · 计算机科学 2025-05-06 Xuan Lin , Qingrui Liu , Hongxin Xiang , Daojian Zeng , Xiangxiang Zeng

The Multimodal Large Language Model (MLLM) is currently experiencing rapid growth, driven by the advanced capabilities of LLMs. Unlike earlier specialists, existing MLLMs are evolving towards a Multimodal Generalist paradigm. Initially…

Multimodal Large Language Models (MLLMs) have become increasingly important due to their state-of-the-art performance and ability to integrate multiple data modalities, such as text, images, and audio, to perform complex tasks with high…