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ChatGPT is a large language model (LLM) created by OpenAI that has been carefully trained on a large amount of data. It has revolutionized the field of natural language processing (NLP) and has pushed the boundaries of LLM capabilities.…

Computation and Language · Computer Science 2023-07-18 Salman Mohamadi , Ghulam Mujtaba , Ngan Le , Gianfranco Doretto , Donald A. Adjeroh

Models based on machine learning can enable accurate and fast molecular property predictions, which is of interest in drug discovery and material design. Various supervised machine learning models have demonstrated promising performance,…

Machine Learning · Computer Science 2022-12-15 Jerret Ross , Brian Belgodere , Vijil Chenthamarakshan , Inkit Padhi , Youssef Mroueh , Payel Das

Large Language Models (LLMs) have emerged as powerful conversational interfaces, and their application in process mining (PM) tasks has shown promising results. However, state-of-the-art LLMs struggle with complex scenarios that demand…

Artificial Intelligence · Computer Science 2024-08-16 Alessandro Berti , Mayssa Maatallah , Urszula Jessen , Michal Sroka , Sonia Ayachi Ghannouchi

The integration of Large Language Models (LLMs) into the drug discovery and development field marks a significant paradigm shift, offering novel methodologies for understanding disease mechanisms, facilitating drug discovery, and optimizing…

Quantitative Methods · Quantitative Biology 2024-09-10 Yizhen Zheng , Huan Yee Koh , Maddie Yang , Li Li , Lauren T. May , Geoffrey I. Webb , Shirui Pan , George Church

Large language models (LLMs) have rapidly evolved from general-purpose systems to multimodal models capable of processing text, images, and audio. As both general-purpose LLMs (GLLMs) and multimodal LLMs (MLLMs) gain widespread adoption,…

Software Engineering · Computer Science 2026-04-08 Yujian Liu , Xiao Yu , Jacky Keung , Xing Hu , Xin Xia , Xiaoxue Ma

Using AI to create autonomous researchers has the potential to accelerate scientific discovery. A prerequisite for this vision is understanding how well an AI model can identify the underlying structure of a black-box system from its…

Machine Learning · Computer Science 2025-05-26 Jiayi Geng , Howard Chen , Dilip Arumugam , Thomas L. Griffiths

The field of Artificial Intelligence (AI) continues to drive transformative innovations, with significant progress in conversational interfaces, autonomous vehicles, and intelligent content creation. Since the launch of ChatGPT in late…

Computation and Language · Computer Science 2025-01-13 Hussain Ahmad , Diksha Goel

Predicting chemical reactions, a fundamental challenge in chemistry, involves forecasting the resulting products from a given reaction process. Conventional techniques, notably those employing Graph Neural Networks (GNNs), are often limited…

Machine Learning · Computer Science 2023-10-23 Yaorui Shi , An Zhang , Enzhi Zhang , Zhiyuan Liu , Xiang Wang

We introduce ChatGLM, an evolving family of large language models that we have been developing over time. This report primarily focuses on the GLM-4 language series, which includes GLM-4, GLM-4-Air, and GLM-4-9B. They represent our most…

Scientific discovery plays a pivotal role in advancing human society, and recent progress in large language models (LLMs) suggests their potential to accelerate this process. However, it remains unclear whether LLMs can autonomously…

Computation and Language · Computer Science 2025-10-28 Zonglin Yang , Wanhao Liu , Ben Gao , Tong Xie , Yuqiang Li , Wanli Ouyang , Soujanya Poria , Erik Cambria , Dongzhan Zhou

Large language models (LLMs) offer new opportunities for automated data extraction and property prediction across materials science, yet their use in superconductivity research remains limited. Here we construct a large experimental…

Materials Science · Physics 2025-12-12 Suman Itani , Yibo Zhang , Ranjit Itani , Jiadong Zang

With recent Nobel Prizes recognising AI contributions to science, Large Language Models (LLMs) are transforming scientific research by enhancing productivity and reshaping the scientific method. LLMs are now involved in experimental design,…

In this paper, we present CharacterGLM, a series of models built upon ChatGLM, with model sizes ranging from 6B to 66B parameters. Our CharacterGLM is designed for generating Character-based Dialogues (CharacterDial), which aims to equip a…

With the advent of Large Language Models (LLMs), medical artificial intelligence (AI) has experienced substantial technological progress and paradigm shifts, highlighting the potential of LLMs to streamline healthcare delivery and improve…

Computation and Language · Computer Science 2024-12-10 Lei Liu , Xiaoyan Yang , Junchi Lei , Yue Shen , Jian Wang , Peng Wei , Zhixuan Chu , Zhan Qin , Kui Ren

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…

Large-scale pre-training methodologies for chemical language models represent a breakthrough in cheminformatics. These methods excel in tasks such as property prediction and molecule generation by learning contextualized representations of…

Machine Learning · Computer Science 2025-07-18 Eduardo Soares , Victor Shirasuna , Emilio Vital Brazil , Renato Cerqueira , Dmitry Zubarev , Kristin Schmidt

Upon its release in late 2022, ChatGPT has brought a seismic shift in the entire landscape of AI, both in research and commerce. Through instruction-tuning a large language model (LLM) with supervised fine-tuning and reinforcement learning…

Computation and Language · Computer Science 2024-01-17 Hailin Chen , Fangkai Jiao , Xingxuan Li , Chengwei Qin , Mathieu Ravaut , Ruochen Zhao , Caiming Xiong , Shafiq Joty

Machine learning has revolutionized polymer science by enabling rapid property prediction and generative design. Large language models (LLMs) offer further opportunities in polymer informatics by simplifying workflows that traditionally…

Computational Engineering, Finance, and Science · Computer Science 2026-02-20 Sonakshi Gupta , Akhlak Mahmood , Shivank Shukla , Rampi Ramprasad

The recent advancements in artificial intelligence highlight the potential of language models in psychological health support. While models trained on data from mental health service platform have achieved preliminary success, challenges…

Computation and Language · Computer Science 2024-03-26 Hongbin Na

Large Language Models (LLMs) have drawn a lot of attention due to their strong performance on a wide range of natural language tasks, since the release of ChatGPT in November 2022. LLMs' ability of general-purpose language understanding and…

Computation and Language · Computer Science 2025-03-25 Shervin Minaee , Tomas Mikolov , Narjes Nikzad , Meysam Chenaghlu , Richard Socher , Xavier Amatriain , Jianfeng Gao