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While Vision Language Models (VLMs) have demonstrated remarkable capabilities in general visual understanding, their application in the chemical domain has been limited, with previous works predominantly focusing on text and thus…

Computer Vision and Pattern Recognition · Computer Science 2025-11-27 Xuanle Zhao , Shuxin Zeng , Xinyuan Cai , Xiang Cheng , Duzhen Zhang , Xiuyi Chen , Bo Xu

Although large language models (LLMs) have significant potential to advance chemical discovery, current LLMs lack core chemical knowledge, produce unreliable reasoning trajectories, and exhibit suboptimal performance across diverse chemical…

Computational Engineering, Finance, and Science · Computer Science 2025-10-23 Weida Wang , Benteng Chen , Di Zhang , Wanhao Liu , Shuchen Pu , Ben Gao , Jin Zeng , Xiaoyong Wei , Tianshu Yu , Shuzhou Sun , Tianfan Fu , Wanli Ouyang , Lei Bai , Jiatong Li , Zifu Wang , Yuqiang Li , Shufei Zhang

Large Language Models (LLMs) have achieved remarkable success and have been applied across various scientific fields, including chemistry. However, many chemical tasks require the processing of visual information, which cannot be…

Recent advancements in Vision-Language (VL) research have sparked new benchmarks for complex visual reasoning, challenging models' advanced reasoning ability. Traditional Vision-Language Models (VLMs) perform well in visual perception tasks…

Computer Vision and Pattern Recognition · Computer Science 2024-09-24 Zhiyuan Li , Dongnan Liu , Chaoyi Zhang , Heng Wang , Tengfei Xue , Weidong Cai

Chemical reasoning inherently integrates visual, textual, and symbolic modalities, yet existing benchmarks rarely capture this complexity, often relying on simple image-text pairs with limited chemical semantics. As a result, the actual…

Artificial Intelligence · Computer Science 2025-11-25 Zhiyuan Huang , Baichuan Yang , Zikun He , Yanhong Wu , Fang Hongyu , Zhenhe Liu , Lin Dongsheng , Bing Su

Atomized chemical knowledge, such as functional group information of molecules and reactions, plays a pivotal intermediate role in the reasoning process that connects molecular structures with their properties and reactivities. While large…

Computational Engineering, Finance, and Science · Computer Science 2026-04-15 Zihan Zhao , Ziping Wan , Lu Chen , Xuanze Lin , Shiyang Yu , Situo Zhang , Da Ma , Zichen Zhu , Danyang Zhang , Huayang Wang , Zhongyang Dai , Liyang Wen , Bo Chen , Xin Chen , Kai Yu

While Large Language Models (LLMs) have revolutionized scientific text processing, they exhibit a significant capability gap when interpreting chemical reaction diagrams. We identify two fundamental bottlenecks restricting current systems:…

Artificial Intelligence · Computer Science 2026-05-19 Mingyang Rao , Kehua Feng , Zhihui Zhu , Jiangzhen Fu , Hao Yu , Keyan Ding , Huajun Chen

While Large Language Models (LLMs) excel at reasoning on text and Vision-Language Models (VLMs) are highly effective for visual perception, applying those models for visual instruction-based planning remains a widely open problem. In this…

Machine Learning · Computer Science 2025-09-11 Mohamed Salim Aissi , Clemence Grislain , Mohamed Chetouani , Olivier Sigaud , Laure Soulier , Nicolas Thome

Multimodal Large Language Models (MLLMs) have achieved notable gains in various tasks by incorporating Chain-of-Thought (CoT) reasoning in language spaces. Recent work extends this direction by leveraging external tools for visual editing,…

Computer Vision and Pattern Recognition · Computer Science 2025-10-07 Bangzheng Li , Ximeng Sun , Jiang Liu , Ze Wang , Jialian Wu , Xiaodong Yu , Hao Chen , Emad Barsoum , Muhao Chen , Zicheng Liu

The increasing demand for intelligent systems capable of interpreting and reasoning about visual content requires the development of large Vision-and-Language Models (VLMs) that are not only accurate but also have explicit reasoning…

Computer Vision and Pattern Recognition · Computer Science 2024-07-19 Kohei Uehara , Nabarun Goswami , Hanqin Wang , Toshiaki Baba , Kohtaro Tanaka , Tomohiro Hashimoto , Kai Wang , Rei Ito , Takagi Naoya , Ryo Umagami , Yingyi Wen , Tanachai Anakewat , Tatsuya Harada

Multimodal large language models (MLLMs) have made impressive progress in many applications in recent years. However, chemical MLLMs that can handle cross-modal understanding and generation remain underexplored. To fill this gap, we propose…

Machine Learning · Computer Science 2025-08-05 Qian Tan , Dongzhan Zhou , Peng Xia , Wanhao Liu , Wanli Ouyang , Lei Bai , Yuqiang Li , Tianfan Fu

Large language models (LLMs) have shown remarkable ability in various language tasks, especially with their emergent in-context learning capability. Extending LLMs to incorporate visual inputs, large vision-language models (LVLMs) have…

Machine Learning · Computer Science 2025-10-13 Aneesh Komanduri , Karuna Bhaila , Xintao Wu

While automated chemical tools excel at specific tasks, they have struggled to capture the strategic thinking that characterizes expert chemical reasoning. Here we demonstrate that large language models (LLMs) can serve as powerful tools…

Artificial Intelligence · Computer Science 2025-07-25 Andres M Bran , Theo A Neukomm , Daniel P Armstrong , Zlatko Jončev , Philippe Schwaller

Large language models (LLMs) have made impressive progress in chemistry applications. However, the community lacks an LLM specifically designed for chemistry. The main challenges are two-fold: firstly, most chemical data and scientific…

There is a growing interest in applying large language models (LLMs) in robotic tasks, due to their remarkable reasoning ability and extensive knowledge learned from vast training corpora. Grounding LLMs in the physical world remains an…

Robotics · Computer Science 2024-04-11 Wenqiang Lai , Yuan Gao , Tin Lun Lam

Despite recent advancements in Multi-modal Large Language Models (MLLMs) on diverse understanding tasks, these models struggle to solve problems which require extensive multi-step reasoning. This is primarily due to the progressive dilution…

Computer Vision and Pattern Recognition · Computer Science 2026-05-13 Byungwoo Jeon , Yoonwoo Jeong , Hyunseok Lee , Minsu Cho , Jinwoo Shin

Although large visual-language models (LVLMs) have demonstrated strong performance in multimodal tasks, errors may occasionally arise due to biases during the reasoning process. Recently, reward models (RMs) have become increasingly pivotal…

Computer Vision and Pattern Recognition · Computer Science 2025-03-11 Jiacheng Ruan , Wenzhen Yuan , Xian Gao , Ye Guo , Daoxin Zhang , Zhe Xu , Yao Hu , Ting Liu , Yuzhuo Fu

Reinforcement learning (RL) has proven highly effective in eliciting the reasoning capabilities of large language models (LLMs). Inspired by this success, recent studies have explored applying similar techniques to vision-language models…

Computer Vision and Pattern Recognition · Computer Science 2025-10-20 Yan Chen , Long Li , Teng Xi , Long Zeng , Jingdong Wang

Fully comprehending scientific papers by machines reflects a high level of Artificial General Intelligence, requiring the ability to reason across fragmented and heterogeneous sources of information, presenting a complex and practically…

Computation and Language · Computer Science 2025-06-30 Yang Tian , Zheng Lu , Mingqi Gao , Zheng Liu , Bo Zhao

Vision-language models (VLMs) have shown strong promise for medical image analysis, but most remain opaque, offering predictions without the transparent, stepwise reasoning clinicians rely on. We present a framework that brings…

Computer Vision and Pattern Recognition · Computer Science 2025-10-31 Andriy Myronenko , Dong Yang , Baris Turkbey , Mariam Aboian , Sena Azamat , Esra Akcicek , Hongxu Yin , Pavlo Molchanov , Marc Edgar , Yufan He , Pengfei Guo , Yucheng Tang , Daguang Xu
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