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Following the milestones in large language models (LLMs) and multimodal models, we have seen a surge in applying LLMs to biochemical tasks. Leveraging graph features and molecular text representations, LLMs can tackle various tasks, such as…

Machine Learning · Computer Science 2025-02-14 Chengxin Hu , Hao Li , Yihe Yuan , Jing Li , Ivor Tsang

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

Considering the significance of proteins, computational protein science has always been a critical scientific field, dedicated to revealing knowledge and developing applications within the protein sequence-structure-function paradigm. In…

Computational Engineering, Finance, and Science · Computer Science 2025-01-28 Wenqi Fan , Yi Zhou , Shijie Wang , Yuyao Yan , Hui Liu , Qian Zhao , Le Song , Qing Li

Large Language Models (LLMs) are increasingly applied in the fields of mechanical engineering and materials science. As models that establish connections through the interface of language, LLMs can be applied for step-wise reasoning through…

Applied Physics · Physics 2025-07-22 Adrian Ehrenhofer , Thomas Wallmersperger , Gianaurelio Cuniberti

Molecular Property Prediction (MPP) plays a pivotal role across diverse domains, spanning drug discovery, material science, and environmental chemistry. Fueled by the exponential growth of chemical data and the evolution of artificial…

Machine Learning · Computer Science 2024-08-23 Tanya Liyaqat , Tanvir Ahmad , Chandni Saxena

The real estate market is vital to global economies but suffers from significant information asymmetry. This study examines how Large Language Models (LLMs) can democratize access to real estate insights by generating competitive and…

Artificial Intelligence · Computer Science 2025-10-01 Margot Geerts , Manon Reusens , Bart Baesens , Seppe vanden Broucke , Jochen De Weerdt

Large language models (LLMs) are becoming increasingly better at a wide range of Natural Language Processing tasks (NLP), such as text generation and understanding. Recently, these models have extended their capabilities to coding tasks,…

Machine Learning · Computer Science 2024-10-23 Nishat Raihan , Mohammed Latif Siddiq , Joanna C. S. Santos , Marcos Zampieri

Large Language Models (LLMs) have garnered considerable interest due to their impressive natural language capabilities, which in conjunction with various emergent properties make them versatile tools in workflows ranging from complex code…

Materials Science · Physics 2024-10-22 Ge Lei , Ronan Docherty , Samuel J. Cooper

Large Language Models (LLMs), originally developed for natural language processing (NLP), have demonstrated the potential to generalize across modalities and domains. With their in-context learning (ICL) capabilities, LLMs can perform…

Artificial Intelligence · Computer Science 2025-08-26 Nikolaos Pavlidis , Vasilis Perifanis , Symeon Symeonidis , Pavlos S. Efraimidis

Molecules are graphs, but large language models~(LLMs) are usually asked to reason about them through linear strings. The most popular molecular representation, SMILES, compresses atoms, bonds, branches and rings into a compact sequence in…

Biomolecules · Quantitative Biology 2026-05-19 Zhiyuan Yan , Chen Liu , Boxuan Zhao , Kaiqing Lin , Jixiang Zhao , Yimi Wang , Liuzhenghao Lv , Hao Li , Shanzhuo Zhang , Li Yuan , Fanyang Mo

Large Language Models (LLMs) do not differentially represent numbers, which are pervasive in text. In contrast, neuroscience research has identified distinct neural representations for numbers and words. In this work, we investigate how…

Artificial Intelligence · Computer Science 2024-01-10 Raj Sanjay Shah , Vijay Marupudi , Reba Koenen , Khushi Bhardwaj , Sashank Varma

Contemporary large language models (LLMs), such as GPT-4 and Llama, have harnessed extensive computational power and diverse text corpora to achieve remarkable proficiency in interpreting and generating domain-specific content, including…

Machine Learning · Computer Science 2025-10-07 Tianren Zhang , Dai-Bei Yang

Recent advances in large language models (LLMs) have unlocked novel opportunities for machine learning applications in the financial domain. These models have demonstrated remarkable capabilities in understanding context, processing vast…

General Finance · Quantitative Finance 2024-06-19 Yuqi Nie , Yaxuan Kong , Xiaowen Dong , John M. Mulvey , H. Vincent Poor , Qingsong Wen , Stefan Zohren

The rise of large language models (LLMs) has marked a pivotal shift in the field of natural language processing (NLP). LLMs have revolutionized a multitude of domains, and they have made a significant impact in the medical field. Large…

The advent of large language models (LLMs) has gained tremendous attention over the past year. Previous studies have shown the astonishing performance of LLMs not only in other tasks but also in emotion recognition in terms of accuracy,…

Computation and Language · Computer Science 2023-10-24 Liyizhe Peng , Zixing Zhang , Tao Pang , Jing Han , Huan Zhao , Hao Chen , Björn W. Schuller

Large Language Models (LLMs) have significantly transformed our daily life and established a new paradigm in natural language processing (NLP). However, the predominant pretraining of LLMs on extensive web-based texts remains insufficient…

Chemical Physics · Physics 2024-12-31 Yang Han , Ziping Wan , Lu Chen , Kai Yu , Xin Chen

Large language models (LLMs) are a class of language models that have demonstrated outstanding performance across a range of natural language processing (NLP) tasks and have become a highly sought-after research area, because of their…

Digital Libraries · Computer Science 2023-04-06 Lizhou Fan , Lingyao Li , Zihui Ma , Sanggyu Lee , Huizi Yu , Libby Hemphill

Enhancing accurate molecular property prediction relies on effective and proficient representation learning. It is crucial to incorporate diverse molecular relationships characterized by multi-similarity (self-similarity and relative…

Machine Learning · Computer Science 2024-02-05 Hao Xu , Zhengyang Zhou , Pengyu Hong

Learning on Graphs has attracted immense attention due to its wide real-world applications. The most popular pipeline for learning on graphs with textual node attributes primarily relies on Graph Neural Networks (GNNs), and utilizes shallow…

Machine Learning · Computer Science 2024-01-17 Zhikai Chen , Haitao Mao , Hang Li , Wei Jin , Hongzhi Wen , Xiaochi Wei , Shuaiqiang Wang , Dawei Yin , Wenqi Fan , Hui Liu , Jiliang Tang

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