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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 task of identifying multimodal image-text representations has garnered increasing attention, particularly with models such as CLIP (Contrastive Language-Image Pretraining), which demonstrate exceptional performance in learning complex…

Computer Vision and Pattern Recognition · Computer Science 2025-02-24 Zhiyu Zhu , Zhibo Jin , Jiayu Zhang , Nan Yang , Jiahao Huang , Jianlong Zhou , Fang Chen

Pretrained language models (PLMs) like BERT provide strong semantic representations but are costly and opaque, while symbolic models such as the Tsetlin Machine (TM) offer transparency but lack semantic generalization. We propose a semantic…

Computation and Language · Computer Science 2026-04-15 Jiechao Gao , Rohan Kumar Yadav , Yuangang Li , Yuandong Pan , Jie Wang , Ying Liu , Michael Lepech

The exponential growth of academic publications poses challenges for the research process, such as literature review and procedural planning. Large Language Models (LLMs) have emerged as powerful AI tools, especially when combined with…

Applied Physics · Physics 2025-02-13 Joaquin Ramirez-Medina , Mohammadmehdi Ataei , Alidad Amirfazli

Recently, there has been a significant upsurge of interest in leveraging large language models (LLMs) to assist scientific discovery. However, most LLMs only focus on general science, while they lack domain-specific knowledge, such as…

Computation and Language · Computer Science 2024-11-13 Liangtai Sun , Danyu Luo , Da Ma , Zihan Zhao , Baocai Chen , Zhennan Shen , Su Zhu , Lu Chen , Xin Chen , Kai Yu

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

Recent advances in generative AI have been largely driven by large language models (LLMs), deep neural networks that operate over discrete units called tokens. To represent text, the vast majority of LLMs use words or word fragments as the…

Large Language Model (LLM) agents have shown great potential in addressing real-world data science problems. LLM-driven data science agents promise to automate the entire machine learning pipeline, yet their real-world effectiveness remains…

Computation and Language · Computer Science 2025-10-09 Yixin Ou , Yujie Luo , Jingsheng Zheng , Lanning Wei , Zhuoyun Yu , Shuofei Qiao , Jintian Zhang , Da Zheng , Yuren Mao , Yunjun Gao , Huajun Chen , Ningyu Zhang

As large language models (LLMs) transition from general knowledge retrieval to complex scientific discovery, their evaluation standards must also incorporate the rigorous norms of scientific inquiry. Existing benchmarks exhibit a critical…

Artificial Intelligence · Computer Science 2026-01-13 Encheng Su , Jianyu Wu , Chen Tang , Lintao Wang , Pengze Li , Aoran Wang , Jinouwen Zhang , Yizhou Wang , Yuan Meng , Xinzhu Ma , Shixiang Tang , Houqiang Li

Developing a high-performing large language models (LLMs) for low-resource languages such as Urdu, present several challenges. These challenges include the scarcity of high-quality datasets, multilingual inconsistencies, and safety…

Computation and Language · Computer Science 2025-10-13 Muhammad Ali Shafique , Kanwal Mehreen , Muhammad Arham , Maaz Amjad , Sabur Butt , Hamza Farooq

Knowledge distillation, the technique of transferring knowledge from large, complex models to smaller ones, marks a pivotal step towards efficient AI deployment. Distilling Step-by-Step~(DSS), a novel method utilizing chain-of-thought~(CoT)…

Computation and Language · Computer Science 2024-06-11 Xin Chen , Hanxian Huang , Yanjun Gao , Yi Wang , Jishen Zhao , Ke Ding

Large language models (LLMs) excel in speed and adaptability across various reasoning tasks, but they often struggle when strict logic or constraint enforcement is required. In contrast, Large Reasoning Models (LRMs) are specifically…

This paper presents an innovative exploration of the application potential of large language models (LLM) in addressing the challenging task of automatically generating behavior trees (BTs) for complex tasks. The conventional manual BT…

Computation and Language · Computer Science 2024-01-17 Fu Li , Xueying Wang , Bin Li , Yunlong Wu , Yanzhen Wang , Xiaodong Yi

The proliferation of Large Language Models like ChatGPT has significantly advanced language understanding and generation, impacting a broad spectrum of applications. However, these models predominantly excel in text-based tasks, overlooking…

Computation and Language · Computer Science 2023-11-23 Xiao Liu , Jianfeng Lin , Jiawei Zhang

Multimodal artificial intelligence (AI) systems have the potential to enhance clinical decision-making by interpreting various types of medical data. However, the effectiveness of these models across all medical fields is uncertain. Each…

Recent tool-use frameworks powered by vision-language models (VLMs) improve image understanding by grounding model predictions with specialized tools. Broadly, these frameworks leverage VLMs and a pre-specified toolbox to decompose the…

Computer Vision and Pattern Recognition · Computer Science 2025-12-29 Christina Liu , Alan Q. Wang , Joy Hsu , Jiajun Wu , Ehsan Adeli

Knowledge distillation typically involves transferring knowledge from a Large Language Model (LLM) to a Smaller Language Model (SLM). However, in tasks such as text matching, fine-tuned smaller models often yield more effective…

Computation and Language · Computer Science 2025-07-09 Mingzhe Li , Jing Xiang , Qishen Zhang , Kaiyang Wan , Xiuying Chen

The integration of experiment technologies with large language models (LLMs) is transforming scientific research, offering AI capabilities beyond specialized problem-solving to becoming research assistants for human scientists. In power…

Systems and Control · Electrical Eng. & Systems 2024-11-21 Mengshuo Jia , Zeyu Cui , Gabriela Hug

The understanding of large-scale scientific software poses significant challenges due to its diverse codebase, extensive code length, and target computing architectures. The emergence of generative AI, specifically large language models…

Software Engineering · Computer Science 2024-03-19 Kareem Shaik , Dali Wang , Weijian Zheng , Qinglei Cao , Heng Fan , Peter Schwartz , Yunhe Feng

The paper introduces a framework for the evaluation of the encoding of factual scientific knowledge, designed to streamline the manual evaluation process typically conducted by domain experts. Inferring over and extracting information from…

Computation and Language · Computer Science 2024-10-21 Magdalena Wysocka , Oskar Wysocki , Maxime Delmas , Vincent Mutel , Andre Freitas