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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"…

Computation and Language · Computer Science 2026-04-09 Xuanle Zhao , Xinyuan Cai , Xiang Cheng , Xiuyi Chen , Bo Xu

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…

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

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

Recent vision-language (VL) studies have shown remarkable progress by learning generic representations from massive image-text pairs with transformer models and then fine-tuning on downstream VL tasks. While existing research has been…

Computer Vision and Pattern Recognition · Computer Science 2021-08-11 Jianfeng Wang , Xiaowei Hu , Pengchuan Zhang , Xiujun Li , Lijuan Wang , Lei Zhang , Jianfeng Gao , Zicheng Liu

Despite their ability to understand chemical knowledge, large language models (LLMs) remain limited in their capacity to propose novel molecules with desired functions (e.g., drug-like properties). In addition, the molecules that LLMs…

The rapid success of Vision Large Language Models (VLLMs) often depends on the high-resolution images with abundant visual tokens, which hinders training and deployment efficiency. Current training-free visual token compression methods…

Computer Vision and Pattern Recognition · Computer Science 2025-02-27 Jianjian Li , Junquan Fan , Feng Tang , Gang Huang , Shitao Zhu , Songlin Liu , Nian Xie , Wulong Liu , Yong Liao

Vision-Language Models (VLMs) leverage aligned visual encoders to transform images into visual tokens, allowing them to be processed similarly to text by the backbone large language model (LLM). This unified input paradigm enables VLMs to…

Computer Vision and Pattern Recognition · Computer Science 2025-03-18 Bangzheng Li , Fei Wang , Wenxuan Zhou , Nan Xu , Ben Zhou , Sheng Zhang , Hoifung Poon , Muhao Chen

Vision Language Models (VLMs) employed for visual question-answering (VQA) in autonomous driving often require substantial computational resources that pose a challenge for their deployment in resource-constrained vehicles. To address this…

Computer Vision and Pattern Recognition · Computer Science 2025-05-22 Hossein Hassani , Soodeh Nikan , Abdallah Shami

Recent advances in multimodal large language models (MLLMs) have enabled impressive progress in vision-language understanding, yet their high computational cost limits deployment in resource-constrained scenarios such as personal…

Computer Vision and Pattern Recognition · Computer Science 2026-04-08 Quoc-Huy Trinh , Mustapha Abdullahi , Bo Zhao , Debesh Jha

Reasoning about fine-grained spatial relationships in warehouse-scale environments poses a significant challenge for existing vision-language models (VLMs), which often struggle to comprehend 3D layouts, object arrangements, and multimodal…

Computer Vision and Pattern Recognition · Computer Science 2025-08-26 Vinh-Thuan Ly , Hoang M. Truong , Xuan-Huong Nguyen

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

Human expertise in chemistry and biomedicine relies on contextual molecular understanding, a capability that large language models (LLMs) can extend through fine-grained alignment between molecular structures and text. Recent multimodal…

Computation and Language · Computer Science 2025-03-10 Sumin Ha , Jun Hyeong Kim , Yinhua Piao , Sun Kim

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

Vision-Language Models (VLMs) excel at many multimodal tasks, yet they frequently struggle with tasks requiring precise understanding and handling of fine-grained visual elements. This is mainly due to information loss during image encoding…

Computer Vision and Pattern Recognition · Computer Science 2025-10-03 Xuchen Li , Xuzhao Li , Jiahui Gao , Renjie Pi , Shiyu Hu , Wentao Zhang

The integration of Multimodal Large Language Models (MLLMs) into chemistry promises to revolutionize scientific discovery, yet their ability to comprehend the dense, graphical language of reactions within authentic literature remains…

Computer Vision and Pattern Recognition · Computer Science 2026-01-29 Hanzheng Li , Xi Fang , Yixuan Li , Chaozheng Huang , Junjie Wang , Xi Wang , Hongzhe Bai , Bojun Hao , Shenyu Lin , Huiqi Liang , Linfeng Zhang , Guolin Ke

Predicting chemical reactions, a fundamental challenge in chemistry, involves forecasting the resulting products from a given reaction process. Conventional techniques, notably those employing Graph Neural Networks (GNNs), are often limited…

Machine Learning · Computer Science 2023-10-23 Yaorui Shi , An Zhang , Enzhi Zhang , Zhiyuan Liu , Xiang Wang

Molecular property prediction is a fundamental task in computational chemistry with critical applications in drug discovery and materials science. While recent works have explored Large Language Models (LLMs) for this task, they primarily…

Computer Vision and Pattern Recognition · Computer Science 2025-07-08 Deepan Adak , Yogesh Singh Rawat , Shruti Vyas

Large Vision Language Models (LVLMs) have achieved significant progress in integrating visual and textual inputs for multimodal reasoning. However, a recurring challenge is ensuring these models utilize visual information as effectively as…

Computer Vision and Pattern Recognition · Computer Science 2025-03-20 Estelle Aflalo , Gabriela Ben Melech Stan , Tiep Le , Man Luo , Shachar Rosenman , Sayak Paul , Shao-Yen Tseng , Vasudev Lal

Large vision-language models (VLMs) typically process hundreds or thousands of visual tokens per image or video frame, incurring quadratic attention cost and substantial redundancy. Existing token reduction methods often ignore the textual…

Computer Vision and Pattern Recognition · Computer Science 2025-12-24 Kaitong Cai , Jusheng Zhang , Jing Yang , Yijia Fan , Pengtao Xie , Jian Wang , Keze Wang
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