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Molecular optimization is a crucial yet complex and time-intensive process that often acts as a bottleneck for drug development. Traditional methods rely heavily on trial and error, making multi-objective optimization both time-consuming…

Biomolecules · Quantitative Biology 2025-03-06 Jiajun Yu , Yizhen Zheng , Huan Yee Koh , Shirui Pan , Tianyue Wang , Haishuai Wang

Prompting Large Language Models (LLMs), or providing context on the expected model of operation, is an effective way to steer the outputs of such models to satisfy human desiderata after they have been trained. But in rapidly evolving…

Machine Learning · Computer Science 2025-08-08 Younwoo Choi , Muhammad Adil Asif , Ziwen Han , John Willes , Rahul G. Krishnan

Although instruction-tuned large language models (LLMs) have exhibited remarkable capabilities across various NLP tasks, their effectiveness on other data modalities beyond text has not been fully studied. In this work, we propose…

Computation and Language · Computer Science 2023-06-16 Chenyang Lyu , Minghao Wu , Longyue Wang , Xinting Huang , Bingshuai Liu , Zefeng Du , Shuming Shi , Zhaopeng Tu

Large language models (LLMs) can perform a wide range of tasks by following natural language instructions, without the necessity of task-specific fine-tuning. Unfortunately, the performance of LLMs is greatly influenced by the quality of…

Computation and Language · Computer Science 2023-10-23 Zhihan Zhang , Shuohang Wang , Wenhao Yu , Yichong Xu , Dan Iter , Qingkai Zeng , Yang Liu , Chenguang Zhu , Meng Jiang

Large Multi-modal Models (LMMs) have made impressive progress in many vision-language tasks. Nevertheless, the performance of general LMMs in specific domains is still far from satisfactory. This paper proposes FoodLMM, a versatile food…

Computer Vision and Pattern Recognition · Computer Science 2024-04-15 Yuehao Yin , Huiyan Qi , Bin Zhu , Jingjing Chen , Yu-Gang Jiang , Chong-Wah Ngo

The recent surge in Multimodal Large Language Models (MLLMs) has showcased their remarkable potential for achieving generalized intelligence by integrating visual understanding into Large Language Models.Nevertheless, the sheer model size…

Computation and Language · Computer Science 2024-07-30 Shilin Xu , Xiangtai Li , Haobo Yuan , Lu Qi , Yunhai Tong , Ming-Hsuan Yang

Large language models (LLMs) could be valuable personal AI agents across various domains, provided they can precisely follow user instructions. However, recent studies have shown significant limitations in LLMs' instruction-following…

Artificial Intelligence · Computer Science 2025-03-31 Juyeon Heo , Miao Xiong , Christina Heinze-Deml , Jaya Narain

In the past decades, recommender systems have attracted much attention in both research and industry communities, and a large number of studies have been devoted to developing effective recommendation models. Basically speaking, these…

Information Retrieval · Computer Science 2023-05-12 Junjie Zhang , Ruobing Xie , Yupeng Hou , Wayne Xin Zhao , Leyu Lin , Ji-Rong Wen

Large Language Models (LLMs) have demonstrated human-like instruction-following abilities, particularly those exceeding 100 billion parameters. The combined capability of some smaller, resource-friendly LLMs can address most of the…

Computation and Language · Computer Science 2025-02-25 Yi-Kai Zhang , De-Chuan Zhan , Han-Jia Ye

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),…

Machine Learning · Computer Science 2025-08-13 Jiaxin Ju , Yizhen Zheng , Huan Yee Koh , Can Wang , Shirui Pan

One of the key strengths of Large Language Models (LLMs) is their ability to interact with humans by generating appropriate responses to given instructions. This ability, known as instruction-following capability, has established a…

Artificial Intelligence · Computer Science 2025-01-24 Hyeonseok Moon , Jaehyung Seo , Seungyoon Lee , Chanjun Park , Heuiseok Lim

Large Language Models (LLMs) have demonstrated surprising performance across various natural language processing tasks. Recently, medical LLMs enhanced with domain-specific knowledge have exhibited excellent capabilities in medical…

Computation and Language · Computer Science 2024-09-24 Jinqiang Wang , Huansheng Ning , Yi Peng , Qikai Wei , Daniel Tesfai , Wenwei Mao , Tao Zhu , Runhe Huang

Despite the fact that large language models (LLMs) show exceptional skill in instruction following tasks, this strength can turn into a vulnerability when the models are required to disregard certain instructions. Instruction-following…

Computation and Language · Computer Science 2025-08-12 Yerin Hwang , Yongil Kim , Jahyun Koo , Taegwan Kang , Hyunkyung Bae , Kyomin Jung

MLLMs have recently become a focal point in the field of artificial intelligence research. Building on the strong capabilities of LLMs, MLLMs are adept at addressing complex multi-modal tasks. With the release of GPT-4, MLLMs have gained…

Machine Learning · Computer Science 2025-05-01 Jiarui Ye , Hao Tang

Instruction tuning has been widely used to unleash the complete potential of large language models. Notably, complex and diverse instructions are of significant importance as they can effectively align models with various downstream tasks.…

Computation and Language · Computer Science 2024-12-17 Tingfeng Hui , Lulu Zhao , Guanting Dong , Yaqi Zhang , Hua Zhou , Sen Su

Open-source, multilingual medical large language models (LLMs) have the potential to serve linguistically diverse populations across different regions. Adapting generic LLMs for healthcare often requires continual pretraining, but this…

Computation and Language · Computer Science 2024-09-10 Meng Zhou , Surajsinh Parmar , Anubhav Bhatti

Large language models (LLMs) are having transformative impacts across a wide range of scientific fields, particularly in the biomedical sciences. Just as the goal of Natural Language Processing is to understand sequences of words, a major…

Genomics · Quantitative Biology 2024-09-24 Gonzalo Benegas , Chengzhong Ye , Carlos Albors , Jianan Canal Li , Yun S. Song

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…

Computation and Language · Computer Science 2025-04-08 Jiatong Li , Wei Liu , Zhihao Ding , Wenqi Fan , Yuqiang Li , Qing Li

Large Language Models (LLMs) have demonstrated great performance in few-shot In-Context Learning (ICL) for a variety of generative and discriminative chemical design tasks. The newly expanded context windows of LLMs can further improve ICL…

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