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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…

Remarkable progress in 2D Vision-Language Models (VLMs) has spurred interest in extending them to 3D settings for tasks like 3D Question Answering, Dense Captioning, and Visual Grounding. Unlike 2D VLMs that typically process images through…

Computer Vision and Pattern Recognition · Computer Science 2025-06-09 Haoyuan Li , Yanpeng Zhou , Yufei Gao , Tao Tang , Jianhua Han , Yujie Yuan , Dave Zhenyu Chen , Jiawang Bian , Hang Xu , Xiaodan Liang

While multi-modality large language models excel in object-centric or indoor scenarios, scaling them to 3D city-scale environments remains a formidable challenge. To bridge this gap, we propose 3DCity-LLM, a unified framework designed for…

Computer Vision and Pattern Recognition · Computer Science 2026-03-25 Yiping Chen , Jinpeng Li , Wenyu Ke , Yang Luo , Jie Ouyang , Zhongjie He , Li Liu , Hongchao Fan , Hao Wu

The integration of deep learning, particularly AI-Generated Content, with high-quality data derived from ab initio calculations has emerged as a promising avenue for transforming the landscape of scientific research. However, the challenge…

Machine Learning · Computer Science 2024-12-11 Kaiwei Zhang , Yange Lin , Guangcheng Wu , Yuxiang Ren , Xuecang Zhang , Bo wang , Xiaoyu Zhang , Weitao Du

Generative models for molecules based on sequential line notation (e.g. SMILES) or graph representation have attracted an increasing interest in the field of structure-based drug design, but they struggle to capture important 3D spatial…

Machine Learning · Computer Science 2023-12-12 Wei Feng , Lvwei Wang , Zaiyun Lin , Yanhao Zhu , Han Wang , Jianqiang Dong , Rong Bai , Huting Wang , Jielong Zhou , Wei Peng , Bo Huang , Wenbiao Zhou

Large language models (LLMs) are introducing a paradigm shift in molecular discovery by enabling text-guided interaction with chemical spaces through natural language, symbolic notations, with emerging extensions to incorporate multi-modal…

Machine Learning · Computer Science 2025-05-23 Ziqing Wang , Kexin Zhang , Zihan Zhao , Yibo Wen , Abhishek Pandey , Han Liu , Kaize Ding

The rapid advancement of Multimodal Large Language Models (MLLMs) has significantly impacted various multimodal tasks. However, these models face challenges in tasks that require spatial understanding within 3D environments. Efforts to…

Computer Vision and Pattern Recognition · Computer Science 2025-03-28 Duo Zheng , Shijia Huang , Liwei Wang

Recent advancements in multimodal large language models (LLMs) have demonstrated significant potential across various domains, particularly in concept reasoning. However, their applications in understanding 3D environments remain limited,…

Computer Vision and Pattern Recognition · Computer Science 2025-02-11 Kuan-Chih Huang , Xiangtai Li , Lu Qi , Shuicheng Yan , Ming-Hsuan Yang

In the molecular domain, numerous studies have explored the use of multimodal large language models (LLMs) to construct a general-purpose, multi-task molecular model. However, these efforts are still far from achieving a truly universal…

Machine Learning · Computer Science 2025-10-31 Chengxin Hu , Hao Li , Yihe Yuan , Zezheng Song , Chenyang Zhao , Haixin Wang

Enabling Large Language Models (LLMs) to comprehend the 3D physical world remains a significant challenge. Due to the lack of large-scale 3D-text pair datasets, the success of LLMs has yet to be replicated in 3D understanding. In this…

Computer Vision and Pattern Recognition · Computer Science 2025-05-23 Yuan Tang , Xu Han , Xianzhi Li , Qiao Yu , Jinfeng Xu , Yixue Hao , Long Hu , Min Chen

In this work, we present Uni3DL, a unified model for 3D and Language understanding. Distinct from existing unified vision-language models in 3D which are limited in task variety and predominantly dependent on projected multi-view images,…

Computer Vision and Pattern Recognition · Computer Science 2023-12-07 Xiang Li , Jian Ding , Zhaoyang Chen , Mohamed Elhoseiny

The application of language models (LMs) to molecular structure generation using line notations such as SMILES and SELFIES has been well-established in the field of cheminformatics. However, extending these models to generate 3D molecular…

Machine Learning · Computer Science 2024-12-03 Kaiyuan Gao , Yusong Wang , Haoxiang Guan , Zun Wang , Qizhi Pei , John E. Hopcroft , Kun He , Lijun Wu

Despite encouraging progress in 3D scene understanding, it remains challenging to develop an effective Large Multi-modal Model (LMM) that is capable of understanding and reasoning in complex 3D environments. Most previous methods typically…

Computer Vision and Pattern Recognition · Computer Science 2025-06-17 Hanxun Yu , Wentong Li , Song Wang , Junbo Chen , Jianke Zhu

Significant interests have recently risen in leveraging sequence-based large language models (LLMs) for drug design. However, most current applications of LLMs in drug discovery lack the ability to comprehend three-dimensional (3D)…

Most current molecular language models transfer the masked language model or image-text generation model from natural language processing to molecular field. However, molecules are not solely characterized by atom/bond symbols; they…

Emerging Technologies · Computer Science 2024-11-26 Yifan Wu , Min Zeng , Yang Li , Yang Zhang , Min Li

Recent conditional 3D completion works have mainly relied on CLIP or BERT to encode textual information, which cannot support complex instruction. Meanwhile, large language models (LLMs) have shown great potential in multi-modal…

Computer Vision and Pattern Recognition · Computer Science 2024-06-11 Jianmeng Liu , Yichen Liu , Yuyao Zhang , Zeyuan Meng , Yu-Wing Tai , Chi-Keung Tang

Recent advances in 3D scene-language understanding have leveraged Large Language Models (LLMs) for 3D reasoning by transferring their general reasoning ability to 3D multi-modal contexts. However, existing methods typically adopt standard…

Computer Vision and Pattern Recognition · Computer Science 2026-03-25 Yerim Jeon , Miso Lee , WonJun Moon , Jae-Pil Heo

The rapid advancement of Large Multimodal Models (LMMs) for 2D images and videos has motivated extending these models to understand 3D scenes, aiming for human-like visual-spatial intelligence. Nevertheless, achieving deep spatial…

Large language models (LLMs) have demonstrated their instruction-following capabilities and achieved powerful performance on various tasks. Inspired by their success, recent works in the molecular domain have led to the development of large…

Artificial Intelligence · Computer Science 2026-01-21 Jinyoung Park , Minseong Bae , Jeehye Na , Hyunwoo J. Kim

Large Language Models(LLMs) have revolutionized text generation and multimodal perception,but their capabilities in 3D content generation remain underexplored. Existing methods compromise by producing either low-resolution meshes or coarse…

Computer Vision and Pattern Recognition · Computer Science 2026-05-18 Junming Huang , Chi Wang , Letian Li , Guangkai Xu , Donglin Huang , Hao Chen , Qiang Dai , Weiwei Xu