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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

Large language models (LLMs) have demonstrated impressive capabilities in aiding developers with tasks like code comprehension, generation, and translation. Supporting multilingual programming -- i.e., coding tasks across multiple…

Programming Languages · Computer Science 2025-06-25 Yifan Zong , Yuntian Deng , Pengyu Nie

Large Language Models (LLMs) with their strong task-handling capabilities have shown remarkable advancements across a spectrum of fields, moving beyond natural language understanding. However, their proficiency within the chemistry domain…

Computer Vision and Pattern Recognition · Computer Science 2026-02-02 Khiem Le , Zhichun Guo , Kaiwen Dong , Xiaobao Huang , Bozhao Nan , Roshni Iyer , Xiangliang Zhang , Olaf Wiest , Wei Wang , Ting Hua , Nitesh V. Chawla

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…

Human language is grounded on multimodal knowledge including visual knowledge like colors, sizes, and shapes. However, current large-scale pre-trained language models rely on text-only self-supervised training with massive text data, which…

Computation and Language · Computer Science 2023-02-28 Weizhi Wang , Li Dong , Hao Cheng , Haoyu Song , Xiaodong Liu , Xifeng Yan , Jianfeng Gao , Furu Wei

Multimodal large language models (MLLMs) have demonstrated impressive capabilities across various vision-language tasks. However, a generalist MLLM typically underperforms compared with a specialist MLLM on most VL tasks, which can be…

Computer Vision and Pattern Recognition · Computer Science 2024-07-18 Leyang Shen , Gongwei Chen , Rui Shao , Weili Guan , Liqiang Nie

Continually expanding new languages for existing large language models (LLMs) is a promising yet challenging approach to building powerful multilingual LLMs. The biggest challenge is to make the model continuously learn new languages while…

Computation and Language · Computer Science 2025-05-29 Xue Zhang , Yunlong Liang , Fandong Meng , Songming Zhang , Yufeng Chen , Jinan Xu , Jie Zhou

This survey reviews works in which language models (LMs) are augmented with reasoning skills and the ability to use tools. The former is defined as decomposing a potentially complex task into simpler subtasks while the latter consists in…

The field of natural language processing (NLP) has made significant strides in recent years, particularly in the development of large-scale vision-language models (VLMs). These models aim to bridge the gap between text and visual…

Computer Vision and Pattern Recognition · Computer Science 2023-03-14 Sheng Shen , Zhewei Yao , Chunyuan Li , Trevor Darrell , Kurt Keutzer , Yuxiong He

The field of chemistry and Artificial Intelligence (AI) intersection is an area of active research that aims to accelerate scientific discovery. The integration of large language models (LLMs) with scientific modalities has shown…

Computation and Language · Computer Science 2024-07-16 Dimitris Gkoumas

The rapid evolution of artificial intelligence in drug discovery encounters challenges with generalization and extensive training, yet Large Language Models (LLMs) offer promise in reshaping interactions with complex molecular data. Our…

Biomolecules · Quantitative Biology 2024-12-20 He Cao , Zijing Liu , Xingyu Lu , Yuan Yao , Yu Li

The molecular large language models have garnered widespread attention due to their promising potential on molecular applications. However, current molecular large language models face significant limitations in understanding molecules due…

Biomolecules · Quantitative Biology 2025-10-23 Zaifei Yang , Hong Chang , Ruibing Hou , Shiguang Shan , Xilin Chen

Recent years have witnessed a significant increase in the performance of Vision and Language tasks. Foundational Vision-Language Models (VLMs), such as CLIP, have been leveraged in multiple settings and demonstrated remarkable performance…

Computer Vision and Pattern Recognition · Computer Science 2024-03-04 Santiago Castro , Amir Ziai , Avneesh Saluja , Zhuoning Yuan , Rada Mihalcea

Language Models (LMs) have greatly influenced diverse domains. However, their inherent limitation in comprehending 3D molecular structures has considerably constrained their potential in the biomolecular domain. To bridge this gap, we focus…

Machine Learning · Computer Science 2024-03-19 Sihang Li , Zhiyuan Liu , Yanchen Luo , Xiang Wang , Xiangnan He , Kenji Kawaguchi , Tat-Seng Chua , Qi Tian

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

Molecule and text representation learning has gained increasing interest due to its potential for enhancing the understanding of chemical information. However, existing models often struggle to capture subtle differences between molecules…

Machine Learning · Computer Science 2025-10-31 Hyuntae Park , Yeachan Kim , SangKeun Lee

Understanding and continuously refining multimodal molecular knowledge is crucial for advancing biomedicine, chemistry, and materials science. Molecule language models (MoLMs) have become powerful tools in these domains, integrating…

Machine Learning · Computer Science 2025-12-01 Zhenyu Lei , Patrick Soga , Yaochen Zhu , Yinhan He , Yushun Dong , Jundong Li

Lately, researchers in artificial intelligence have been really interested in how language and vision come together, giving rise to the development of multimodal models that aim to seamlessly integrate textual and visual information.…

Computer Vision and Pattern Recognition · Computer Science 2024-10-29 Rajat Chawla , Arkajit Datta , Tushar Verma , Adarsh Jha , Anmol Gautam , Ayush Vatsal , Sukrit Chaterjee , Mukunda NS , Ishaan Bhola

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…

Machine Learning · Computer Science 2025-10-03 Dongki Kim , Wonbin Lee , Sung Ju Hwang

Vision-Language Models (VLMs) often yield inconsistent descriptions of the same object across viewpoints, hindering the ability of embodied agents to construct consistent semantic representations over time. Previous methods resolved…

Computer Vision and Pattern Recognition · Computer Science 2026-03-31 Tommaso Galliena , Stefano Rosa , Tommaso Apicella , Pietro Morerio , Alessio Del Bue , Lorenzo Natale
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