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Large language models (LLMs) have shown promising capabilities in visually interpreting medical time-series data. However, their general-purpose design can limit domain-specific precision, and the proprietary nature of many models poses…

Artificial Intelligence · Computer Science 2025-07-22 Huayu Li , Zhengxiao He , Xiwen Chen , Ci Zhang , Stuart F. Quan , William D. S. Killgore , Shu-Fen Wung , Chen X. Chen , Geng Yuan , Jin Lu , Ao Li

Designing de-novo molecules with desired property profiles requires efficient exploration of the vast chemical space ranging from $10^{23}$ to $10^{60}$ possible synthesizable candidates. While various deep generative models have been…

Machine Learning · Computer Science 2025-08-25 Kamran Chitsaz , Roshan Balaji , Quentin Fournier , Nirav Pravinbhai Bhatt , Sarath Chandar

With the rapid development of large language models (LLMs) and their integration into large multimodal models (LMMs), there has been impressive progress in zero-shot completion of user-oriented vision-language tasks. However, a gap remains…

Computation and Language · Computer Science 2024-04-16 Fuxiao Liu , Xiaoyang Wang , Wenlin Yao , Jianshu Chen , Kaiqiang Song , Sangwoo Cho , Yaser Yacoob , Dong Yu

Large Language Models (LLMs) have demonstrated remarkable performance across various natural language tasks, marking significant strides towards general artificial intelligence. While general artificial intelligence is leveraged by…

Computation and Language · Computer Science 2023-10-31 Yizhe Yang , Huashan Sun , Jiawei Li , Runheng Liu , Yinghao Li , Yuhang Liu , Heyan Huang , Yang Gao

Due to limited supervised training data, large language models (LLMs) are typically pre-trained via a self-supervised "predict the next word" objective on a vast amount of unstructured text data. To make the resulting model useful to users,…

Computation and Language · Computer Science 2026-01-30 Ajay Patel , Colin Raffel , Chris Callison-Burch

Deep learning has significantly advanced molecular modeling and design, enabling efficient understanding and discovery of novel molecules. In particular, large language models (LLMs) introduce a fresh research paradigm to tackle scientific…

Machine Learning · Computer Science 2025-01-06 Pengfei Liu , Jun Tao , Zhixiang Ren

Large Language Models (LLMs) have demonstrated remarkable success in various tasks such as natural language understanding, text summarization, and machine translation. However, their general-purpose nature often limits their effectiveness…

Computation and Language · Computer Science 2025-09-03 Zirui Song , Bin Yan , Yuhan Liu , Miao Fang , Mingzhe Li , Rui Yan , Xiuying Chen

Humans often interact with large language models (LLMs) in multi-turn interaction to obtain desired answers or more information. However, most existing studies overlook the multi-turn instruction following ability of LLMs, in terms of…

Computation and Language · Computer Science 2024-05-24 Yuchong Sun , Che Liu , Kun Zhou , Jinwen Huang , Ruihua Song , Wayne Xin Zhao , Fuzheng Zhang , Di Zhang , Kun Gai

Building effective machine learning (ML) workflows to address complex tasks is a primary focus of the Automatic ML (AutoML) community and a critical step toward achieving artificial general intelligence (AGI). Recently, the integration of…

Machine Learning · Computer Science 2024-12-30 Yang Gu , Hengyu You , Jian Cao , Muran Yu , Haoran Fan , Shiyou Qian

Training large language models (LLMs) to follow instructions has significantly enhanced their ability to tackle unseen tasks. However, despite their strong generalization capabilities, instruction-following LLMs encounter difficulties when…

Computation and Language · Computer Science 2025-05-29 Maja Stahl , Timon Ziegenbein , Joonsuk Park , Henning Wachsmuth

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…

Biomolecules · Quantitative Biology 2024-05-14 Xianggen Liu , Yan Guo , Haoran Li , Jin Liu , Shudong Huang , Bowen Ke , Jiancheng Lv

We introduce MIA-Bench, a new benchmark designed to evaluate multimodal large language models (MLLMs) on their ability to strictly adhere to complex instructions. Our benchmark comprises a diverse set of 400 image-prompt pairs, each crafted…

Computer Vision and Pattern Recognition · Computer Science 2025-03-21 Yusu Qian , Hanrong Ye , Jean-Philippe Fauconnier , Peter Grasch , Yinfei Yang , Zhe Gan

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

The recent success of large language models (LLMs) trained on static, pre-collected, general datasets has sparked numerous research directions and applications. One such direction addresses the non-trivial challenge of integrating…

Machine Learning · Computer Science 2024-11-26 Haizhou Shi , Zihao Xu , Hengyi Wang , Weiyi Qin , Wenyuan Wang , Yibin Wang , Zifeng Wang , Sayna Ebrahimi , Hao Wang

Modern Language Models (LMs) are capable of following long and complex instructions that enable a large and diverse set of user requests. While Information Retrieval (IR) models use these LMs as the backbone of their architectures,…

Information Retrieval · Computer Science 2024-05-08 Orion Weller , Benjamin Chang , Sean MacAvaney , Kyle Lo , Arman Cohan , Benjamin Van Durme , Dawn Lawrie , Luca Soldaini

Large language models (LLMs) are initially pretrained for broad capabilities and then finetuned with instruction-following datasets to improve their performance in interacting with humans. Despite advances in finetuning, a standardized…

Computation and Language · Computer Science 2024-07-30 Yihan Cao , Yanbin Kang , Chi Wang , Lichao Sun

Developing therapeutics is a lengthy and expensive process that requires the satisfaction of many different criteria, and AI models capable of expediting the process would be invaluable. However, the majority of current AI approaches…

Instruction tuning is a pivotal technique for aligning large language models (LLMs) with human intentions, safety constraints, and domain-specific requirements. This survey provides a comprehensive overview of the full pipeline,…

Computation and Language · Computer Science 2025-11-20 Xudong Han , Junjie Yang , Tianyang Wang , Ziqian Bi , Xinyuan Song , Junfeng Hao , Junhao Song

Large language models (LLMs) have demonstrated broad utility across molecular domains, spanning drug discovery and materials design. Analyzing LLMs' latent representations is crucial for elucidating their underlying mechanisms, improving…

Machine Learning · Computer Science 2026-02-03 Zhuoran Li , Xu Sun , Wanyu Lin , Jiannong Cao

Recent work exploring the capabilities of pre-trained large language models (LLMs) has demonstrated their ability to act as general pattern machines by completing complex token sequences representing a wide array of tasks, including…

Computers and Society · Computer Science 2024-03-25 Seyed Parsa Neshaei , Richard Lee Davis , Adam Hazimeh , Bojan Lazarevski , Pierre Dillenbourg , Tanja Käser
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