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Significant advancements has recently been achieved in the field of multi-modal large language models (MLLMs), demonstrating their remarkable capabilities in understanding and reasoning across diverse tasks. However, these models are often…

Computation and Language · Computer Science 2024-08-06 Zhaowei Li , Wei Wang , YiQing Cai , Xu Qi , Pengyu Wang , Dong Zhang , Hang Song , Botian Jiang , Zhida Huang , Tao Wang

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

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

Natural language is expected to be a key medium for various human-machine interactions in the era of large language models. When it comes to the biochemistry field, a series of tasks around molecules (e.g., property prediction, molecule…

Computation and Language · Computer Science 2023-06-22 Zheni Zeng , Bangchen Yin , Shipeng Wang , Jiarui Liu , Cheng Yang , Haishen Yao , Xingzhi Sun , Maosong Sun , Guotong Xie , Zhiyuan Liu

Deep learning models have become fundamental tools in drug design. In particular, large language models trained on biochemical sequences learn feature vectors that guide drug discovery through virtual screening. However, such models do not…

Biomolecules · Quantitative Biology 2025-03-28 Joseph D. Clark , Tanner J. Dean , Diwakar Shukla

Recently, neural approaches to coherence modeling have achieved state-of-the-art results in several evaluation tasks. However, we show that most of these models often fail on harder tasks with more realistic application scenarios. In…

Computation and Language · Computer Science 2019-09-04 Han Cheol Moon , Tasnim Mohiuddin , Shafiq Joty , Xu Chi

Large-scale models have exhibited remarkable capabilities across diverse domains, including automated medical services and intelligent customer support. However, as most large models are trained on single-modality corpora, enabling them to…

Computer Vision and Pattern Recognition · Computer Science 2025-08-26 Hao Sun , Yu Song , Jiaqing Liu , Jihong Hu , Yen-Wei Chen , Lanfen Lin

State-of-the-art studies have demonstrated the superiority of joint modelling over pipeline implementation for medical named entity recognition and normalization due to the mutual benefits between the two processes. To exploit these…

Computation and Language · Computer Science 2018-12-17 Sendong Zhao , Ting Liu , Sicheng Zhao , Fei Wang

Large Language Models (LLMs) stand at the forefront of a number of Natural Language Processing (NLP) tasks. Despite the widespread adoption of LLMs in NLP, much of their potential in broader fields remains largely unexplored, and…

Machine Learning · Computer Science 2024-03-11 Zhiqiang Zhong , Kuangyu Zhou , Davide Mottin

While large language models demonstrate remarkable capabilities at task-specific applications through fine-tuning, extending these benefits across diverse languages is essential for broad accessibility. However, effective cross-lingual…

Computation and Language · Computer Science 2025-06-03 Danni Liu , Jan Niehues

The development of effective machine learning methodologies for enhancing the efficiency and accuracy of clinical systems is crucial. Despite significant research efforts, managing a plethora of diversified clinical tasks and adapting to…

Computation and Language · Computer Science 2024-06-19 Yujiang Wu , Hongjian Song , Jiawen Zhang , Xumeng Wen , Shun Zheng , Jiang Bian

Language modeling has seen impressive progress over the last years, mainly prompted by the invention of the Transformer architecture, sparking a revolution in many fields of machine learning, with breakthroughs in chemistry and biology. In…

Machine Learning · Computer Science 2023-10-11 Andres M Bran , Philippe Schwaller

The success of language models, especially transformer-based architectures, has trickled into other domains giving rise to "scientific language models" that operate on small molecules, proteins or polymers. In chemistry, language models…

Chemical Physics · Physics 2024-10-22 Nikita Janakarajan , Tim Erdmann , Sarath Swaminathan , Teodoro Laino , Jannis Born

Artificial intelligence has demonstrated immense potential in scientific research. Within molecular science, it is revolutionizing the traditional computer-aided paradigm, ushering in a new era of deep learning. With recent progress in…

Biomolecules · Quantitative Biology 2024-03-22 Yi Xiao , Xiangxin Zhou , Qiang Liu , Liang Wang

In this paper, we propose to study language modelling as a multi-task problem, bringing together three strands of research: multi-task learning, linguistics, and interpretability. Based on hypotheses derived from linguistic theory, we…

Computation and Language · Computer Science 2021-01-28 Lucas Weber , Jaap Jumelet , Elia Bruni , Dieuwke Hupkes

The application of large language models (LLMs) to chemistry is frequently hampered by a "tokenization bottleneck", where tokenizers tuned on general-domain text tend to fragment chemical representations such as SMILES into semantically…

Computation and Language · Computer Science 2025-11-19 Prathamesh Kalamkar , Ned Letcher , Meissane Chami , Sahger Lad , Shayan Mohanty , Prasanna Pendse

Much of vision-and-language research focuses on a small but diverse set of independent tasks and supporting datasets often studied in isolation; however, the visually-grounded language understanding skills required for success at these…

Computer Vision and Pattern Recognition · Computer Science 2020-04-28 Jiasen Lu , Vedanuj Goswami , Marcus Rohrbach , Devi Parikh , Stefan Lee

We propose a unified look at jointly learning multiple vision tasks and visual domains through universal representations, a single deep neural network. Learning multiple problems simultaneously involves minimizing a weighted sum of multiple…

Computer Vision and Pattern Recognition · Computer Science 2022-08-31 Wei-Hong Li , Xialei Liu , Hakan Bilen

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

Modern NLP breakthrough includes large multilingual models capable of performing tasks across more than 100 languages. State-of-the-art language models came a long way, starting from the simple one-hot representation of words capable of…

Computation and Language · Computer Science 2023-09-06 Fahim Faisal
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