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相关论文: Towards 3D Molecule-Text Interpretation in Languag…

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Molecule discovery plays a crucial role in various scientific fields, advancing the design of tailored materials and drugs. However, most of the existing methods heavily rely on domain experts, require excessive computational cost, or…

计算与语言 · 计算机科学 2024-05-10 Jiatong Li , Yunqing Liu , Wenqi Fan , Xiao-Yong Wei , Hui Liu , Jiliang Tang , Qing Li

Text-rich document understanding (TDU) requires comprehensive analysis of documents containing substantial textual content and complex layouts. While Multimodal Large Language Models (MLLMs) have achieved fast progress in this domain,…

计算机视觉与模式识别 · 计算机科学 2025-03-20 Wenhui Liao , Jiapeng Wang , Hongliang Li , Chengyu Wang , Jun Huang , Lianwen Jin

Previous research has investigated the application of Multimodal Large Language Models (MLLMs) in understanding 3D scenes by interpreting them as videos. These approaches generally depend on comprehensive 3D data inputs, such as point…

计算机视觉与模式识别 · 计算机科学 2025-10-23 Duo Zheng , Shijia Huang , Yanyang Li , Liwei Wang

Molecule design is a multifaceted approach that leverages computational methods and experiments to optimize molecular properties, fast-tracking new drug discoveries, innovative material development, and more efficient chemical processes.…

计算与语言 · 计算机科学 2024-08-23 Sakhinana Sagar Srinivas , Venkataramana Runkana

Recent 3D Large-Language Models (3D-LLMs) claim to understand 3D worlds, especially spatial relationships among objects. Yet, we find that simply fine-tuning a language model on text-only question-answer pairs can perform comparably or even…

Large Language Models (LLMs) have demonstrated exceptional performance in biochemical tasks, especially the molecule caption translation task, which aims to bridge the gap between molecules and natural language texts. However, previous…

计算与语言 · 计算机科学 2025-04-08 Jiatong Li , Wei Liu , Zhihao Ding , Wenqi Fan , Yuqiang Li , Qing Li

Recent Multi-Modal Large Language Models (MLLMs) have demonstrated strong capabilities in learning joint representations from text and images. However, their spatial reasoning remains limited. We introduce 3DFroMLLM, a novel framework that…

计算机视觉与模式识别 · 计算机科学 2025-08-13 Noor Ahmed , Cameron Braunstein , Steffen Eger , Eddy Ilg

Large language models have made significant strides in natural language processing, enabling innovative applications in molecular science by processing textual representations of molecules. However, most existing language models cannot…

机器学习 · 计算机科学 2024-02-07 Pengfei Liu , Yiming Ren , Jun Tao , Zhixiang Ren

Molecule discovery is a pivotal research field, impacting everything from medicine to materials. Recently, Large Language Models (LLMs) have been widely adopted in molecular understanding and generation, serving as a bridge between the…

计算与语言 · 计算机科学 2026-04-29 Jiatong Li , Yunqing Liu , Wei Liu , Jingdi Le , Di Zhang , Wenqi Fan , Dongzhan Zhou , Yuqiang Li , Qing Li

Progress in 3D vision-language learning has been hindered by the scarcity of large-scale 3D datasets. We introduce UniVLG, a unified architecture for 2D and 3D vision-language understanding that bridges the gap between existing 2D-centric…

计算机视觉与模式识别 · 计算机科学 2025-06-10 Ayush Jain , Alexander Swerdlow , Yuzhou Wang , Sergio Arnaud , Ada Martin , Alexander Sax , Franziska Meier , Katerina Fragkiadaki

In recent years, Large Language Models (LLMs) have achieved significant success in natural language processing (NLP) and various interdisciplinary areas. However, applying LLMs to chemistry is a complex task that requires specialized domain…

机器学习 · 计算机科学 2024-02-05 Chang Liao , Yemin Yu , Yu Mei , Ying Wei

Recent medical vision-language models (VLMs) have shown promise in 2D medical image interpretation. However extending them to 3D medical imaging has been challenging due to computational complexities and data scarcity. Although a few recent…

图像与视频处理 · 电气工程与系统科学 2024-12-19 Changsun Lee , Sangjoon Park , Cheong-Il Shin , Woo Hee Choi , Hyun Jeong Park , Jeong Eun Lee , Jong Chul Ye

Recent advancements in autonomous driving, augmented reality, robotics, and embodied intelligence have necessitated 3D perception algorithms. However, current 3D perception methods, especially specialized small models, exhibit poor…

计算机视觉与模式识别 · 计算机科学 2025-02-14 Fan Yang , Sicheng Zhao , Yanhao Zhang , Hui Chen , Haonan Lu , Jungong Han , Guiguang Ding

Large Language Models (LLMs) have made great strides in areas such as language processing and computer vision. Despite the emergence of diverse techniques to improve few-shot learning capacity, current LLMs fall short in handling the…

生物大分子 · 定量生物学 2024-05-14 Xianggen Liu , Yan Guo , Haoran Li , Jin Liu , Shudong Huang , Bowen Ke , Jiancheng Lv

Accurate molecular property prediction is a critical challenge with wide-ranging applications in chemistry, materials science, and drug discovery. Molecular representation methods, including fingerprints and graph neural networks (GNNs),…

机器学习 · 计算机科学 2025-08-13 Jiaxin Ju , Yizhen Zheng , Huan Yee Koh , Can Wang , Shirui Pan

The integration of biomolecular modeling with natural language (BL) has emerged as a promising interdisciplinary area at the intersection of artificial intelligence, chemistry and biology. This approach leverages the rich, multifaceted…

计算与语言 · 计算机科学 2025-12-01 Qizhi Pei , Zhimeng Zhou , Kaiyuan Gao , Jinhua Zhu , Yue Wang , Zun Wang , Tao Qin , Lijun Wu , Rui Yan

Despite interpretability work analyzing VIT encoders and transformer activations, we don't yet understand why Multimodal Language Models (MLMs) struggle on perception-heavy tasks. We offer an under-studied perspective by examining how…

计算机视觉与模式识别 · 计算机科学 2025-10-07 Benlin Liu , Amita Kamath , Madeleine Grunde-McLaughlin , Winson Han , Ranjay Krishna

Generating novel active molecules for a given protein is an extremely challenging task for generative models that requires an understanding of the complex physical interactions between the molecule and its environment. In this paper, we…

Large multimodal models (LMMs) combine unimodal encoders and large language models (LLMs) to perform multimodal tasks. Despite recent advancements towards the interpretability of these models, understanding internal representations of LMMs…

机器学习 · 计算机科学 2024-12-03 Jayneel Parekh , Pegah Khayatan , Mustafa Shukor , Alasdair Newson , Matthieu Cord

Open-set perception in complex traffic environments poses a critical challenge for autonomous driving systems, particularly in identifying previously unseen object categories, which is vital for ensuring safety. Visual Language Models…

计算机视觉与模式识别 · 计算机科学 2025-08-13 Fuhao Chang , Shuxin Li , Yabei Li , Lei He