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Large Language Models (LLMs) have demonstrated their capabilities across various tasks, from language translation to complex reasoning. Understanding and predicting human behavior and biases are crucial for artificial intelligence (AI)…

Artificial Intelligence · Computer Science 2024-08-06 Thuy Ngoc Nguyen , Kasturi Jamale , Cleotilde Gonzalez

Deep neural-network-based language models (LMs) are increasingly applied to large-scale protein sequence data to predict protein function. However, being largely black-box models and thus challenging to interpret, current protein LM…

Quantitative Methods · Quantitative Biology 2024-08-06 Mai Ha Vu , Rahmad Akbar , Philippe A. Robert , Bartlomiej Swiatczak , Victor Greiff , Geir Kjetil Sandve , Dag Trygve Truslew Haug

Molecular property prediction has gained significant attention due to its transformative potential in multiple scientific disciplines. Conventionally, a molecule graph can be represented either as a graph-structured data or a SMILES text.…

Machine Learning · Computer Science 2023-07-17 Chen Qian , Huayi Tang , Zhirui Yang , Hong Liang , Yong Liu

The rapid development of artificial intelligence has led to marked progress in the field. One interesting direction for research is whether Large Language Models (LLMs) can be integrated with structured knowledge-based systems. This…

Computation and Language · Computer Science 2025-05-02 Wenli Yang , Lilian Some , Michael Bain , Byeong Kang

Large Language Models (LLMs) represent a class of deep learning models adept at understanding natural language and generating coherent responses to various prompts or queries. These models far exceed the complexity of conventional neural…

Machine Learning · Computer Science 2024-12-05 Minghao Shao , Abdul Basit , Ramesh Karri , Muhammad Shafique

Purpose: Large Language Models (LLMs) like GPT (Generative Pre-trained Transformer) from OpenAI and LLaMA (Large Language Model Meta AI) from Meta AI are increasingly recognized for their potential in the field of cheminformatics,…

Biomolecules · Quantitative Biology 2024-05-22 Shaghayegh Sadeghi , Alan Bui , Ali Forooghi , Jianguo Lu , Alioune Ngom

Rapid advancements in imaging techniques and analytical methods over the past decade have revolutionized our ability to comprehensively probe the biological world at multiple scales, pinpointing the type, quantity, location, and even…

Artificial Intelligence · Computer Science 2025-10-02 Shanghang Zhang , Gaole Dai , Tiejun Huang , Jianxu Chen

This paper introduces a system that integrates large language models (LLMs) into the clinical trial retrieval process, enhancing the effectiveness of matching patients with eligible trials while maintaining information privacy and allowing…

Information Retrieval · Computer Science 2024-11-01 Georgios Peikos , Pranav Kasela , Gabriella Pasi

The explosive growth of large language models (LLMs) has created a vast but opaque landscape: millions of models exist, yet their evolutionary relationships through fine-tuning, distillation, or adaptation are often undocumented or unclear,…

Machine Learning · Computer Science 2026-05-04 Zhaomin Wu , Haodong Zhao , Ziyang Wang , Jizhou Guo , Qian Wang , Bingsheng He

Large language models (LLMs) have emerged as powerful tools for knowledge-intensive tasks across domains. In materials science, to find novel materials for various energy efficient devices for various real-world applications, requires…

Materials Science · Physics 2025-08-12 Agada Joseph Oche , Arpan Biswas

Recent breakthroughs in large language models (LLMs) offer unprecedented natural language understanding and generation capabilities. However, existing surveys on LLMs in biomedicine often focus on specific applications or model…

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

Probing large language models (LLMs) has yielded valuable insights into their internal mechanisms by linking neural activations to interpretable semantics. However, the complex mechanisms that link neuron's functional co-activation with the…

Computation and Language · Computer Science 2026-01-30 Yu Zheng , Yuan Yuan , Yue Zhuo , Yong Li , Gabriel Kreiman , Tomaso Poggio , Paolo Santi

Large language models (LLMs) have ushered in a new era for processing complex information in various fields, including science. The increasing amount of scientific literature allows these models to acquire and understand scientific…

Computation and Language · Computer Science 2024-08-21 Huy Quoc To , Ming Liu , Guangyan Huang

Large language models (LLMs) have shown significant potential to change how we write, communicate, and create, leading to rapid adoption across society. This dissertation examines how individuals and institutions are adapting to and…

Computation and Language · Computer Science 2025-06-24 Weixin Liang

Molecular property prediction is a crucial foundation for drug discovery. In recent years, pre-trained deep learning models have been widely applied to this task. Some approaches that incorporate prior biological domain knowledge into the…

Machine Learning · Computer Science 2024-08-20 Tianyu Zhang , Yuxiang Ren , Chengbin Hou , Hairong Lv , Xuegong Zhang

The applications of large language models (LLMs) are promising for biomedical and healthcare research. Despite the availability of open-source LLMs trained using a wide range of biomedical data, current research on the applications of LLMs…

Machine Learning · Computer Science 2024-09-25 Tianyu Liu , Yijia Xiao , Xiao Luo , Hua Xu , W. Jim Zheng , Hongyu Zhao

Since the advent of GPT, large language models (LLMs) have brought about revolutionary advancements in all walks of life. As a superior natural language processing (NLP) technology, LLMs have consistently achieved state-of-the-art…

Networking and Internet Architecture · Computer Science 2024-06-26 Danshi Wang , Yidi Wang , Xiaotian Jiang , Yao Zhang , Yue Pang , Min Zhang

A Language Model is a term that encompasses various types of models designed to understand and generate human communication. Large Language Models (LLMs) have gained significant attention due to their ability to process text with human-like…

Computation and Language · Computer Science 2024-06-12 Sylvio Barbon Junior , Paolo Ceravolo , Sven Groppe , Mustafa Jarrar , Samira Maghool , Florence Sèdes , Soror Sahri , Maurice Van Keulen

Graph plays a significant role in representing and analyzing complex relationships in real-world applications such as citation networks, social networks, and biological data. Recently, Large Language Models (LLMs), which have achieved…

Machine Learning · Computer Science 2024-04-25 Yuhan Li , Zhixun Li , Peisong Wang , Jia Li , Xiangguo Sun , Hong Cheng , Jeffrey Xu Yu