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Large language models (LLMs) are a class of artificial intelligence models based on deep learning, which have great performance in various tasks, especially in natural language processing (NLP). Large language models typically consist of…

Quantitative Methods · Quantitative Biology 2025-02-04 Jiajia Liu , Mengyuan Yang , Yankai Yu , Haixia Xu , Tiangang Wang , Kang Li , Xiaobo Zhou

In this paper, we demonstrate a surprising capability of large language models (LLMs): given only input feature names and a description of a prediction task, they are capable of selecting the most predictive features, with performance…

Machine Learning · Computer Science 2025-04-21 Daniel P. Jeong , Zachary C. Lipton , Pradeep Ravikumar

Large Language Models (LLMs) are starting to be profiled as one of the most significant disruptions in the Software Testing field. Specifically, they have been successfully applied in software testing tasks such as generating test code, or…

Software Engineering · Computer Science 2025-09-30 Cristian Augusto , Antonia Bertolino , Guglielmo De Angelis , Francesca Lonetti , Jesús Morán

Large language models (LLMs) have demonstrated their instruction-following capabilities and achieved powerful performance on various tasks. Inspired by their success, recent works in the molecular domain have led to the development of large…

Artificial Intelligence · Computer Science 2026-01-21 Jinyoung Park , Minseong Bae , Jeehye Na , Hyunwoo J. Kim

Bridging biomolecular modeling with natural language information, particularly through large language models (LLMs), has recently emerged as a promising interdisciplinary research area. LLMs, having been trained on large corpora of…

Computation and Language · Computer Science 2024-11-04 Carl Edwards , Ziqing Lu , Ehsan Hajiramezanali , Tommaso Biancalani , Heng Ji , Gabriele Scalia

Large Language Models(LLMs)have become effective tools for natural language processing and have been used in many different fields. This essay offers a succinct summary of various LLM subcategories. The survey emphasizes recent developments…

Computation and Language · Computer Science 2023-07-21 Saurabh Pahune , Manoj Chandrasekharan

The increasing complexity of software systems has driven significant advancements in program analysis, as traditional methods unable to meet the demands of modern software development. To address these limitations, deep learning techniques,…

Software Engineering · Computer Science 2025-02-27 Jiayimei Wang , Tao Ni , Wei-Bin Lee , Qingchuan Zhao

In drug-discovery-related tasks such as virtual screening, machine learning is emerging as a promising way to predict molecular properties. Conventionally, molecular fingerprints (numerical representations of molecules) are calculated…

Machine Learning · Computer Science 2019-11-13 Shion Honda , Shoi Shi , Hiroki R. Ueda

Molecular property prediction is essential in chemistry, especially for drug discovery applications. However, available molecular property data is often limited, encouraging the transfer of information from related data. Transfer learning…

Machine Learning · Computer Science 2022-07-07 Johan Broberg , Maria Bånkestad , Erik Ylipää

Large Language Models (LLMs) have shown promise in clinical applications through prompt engineering, allowing flexible clinical predictions. However, they struggle to produce reliable prediction probabilities, which are crucial for…

Artificial Intelligence · Computer Science 2024-12-05 Bowen Gu , Rishi J. Desai , Kueiyu Joshua Lin , Jie Yang

The rapid development of Large Language Models (LLMs) demonstrates remarkable multilingual capabilities in natural language processing, attracting global attention in both academia and industry. To mitigate potential discrimination and…

Computation and Language · Computer Science 2025-01-08 Kaiyu Huang , Fengran Mo , Xinyu Zhang , Hongliang Li , You Li , Yuanchi Zhang , Weijian Yi , Yulong Mao , Jinchen Liu , Yuzhuang Xu , Jinan Xu , Jian-Yun Nie , Yang Liu

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

Graphs are an essential data structure utilized to represent relationships in real-world scenarios. Prior research has established that Graph Neural Networks (GNNs) deliver impressive outcomes in graph-centric tasks, such as link prediction…

Machine Learning · Computer Science 2024-09-12 Xubin Ren , Jiabin Tang , Dawei Yin , Nitesh Chawla , Chao Huang

Providing explainable molecular property predictions is critical for many scientific domains, such as drug discovery and material science. Though transformer-based language models have shown great potential in accurate molecular property…

Machine Learning · Computer Science 2026-01-14 Zhenzhong Wang , Zehui Lin , Wanyu Lin , Ming Yang , Minggang Zeng , Kay Chen Tan

Large Language Models (LLMs) have garnered considerable interest within both academic and industrial. Yet, the application of LLMs to graph data remains under-explored. In this study, we evaluate the capabilities of four LLMs in addressing…

Artificial Intelligence · Computer Science 2023-09-12 Chang Liu , Bo Wu

Large Language Models (LLMs), AI-driven models that can achieve general-purpose language understanding and generation, have emerged as a transformative force, revolutionizing fields well beyond Natural Language Processing (NLP) and…

Information Theory · Computer Science 2024-02-27 Ali Maatouk , Nicola Piovesan , Fadhel Ayed , Antonio De Domenico , Merouane Debbah

Large Language Models (LLMs) have revolutionized the field of Natural Language Processing (NLP) by automating traditional labor-intensive tasks and consequently accelerated the development of computer-aided applications. As researchers…

Computation and Language · Computer Science 2025-06-24 Summra Saleem , Muhammad Nabeel Asim , Shaista Zulfiqar , Andreas Dengel

Understanding the latent space geometry of large language models (LLMs) is key to interpreting their behavior and improving alignment. Yet it remains unclear to what extent LLMs linearly organize representations related to semantic…

Computation and Language · Computer Science 2026-01-22 Baturay Saglam , Paul Kassianik , Blaine Nelson , Sajana Weerawardhena , Yaron Singer , Amin Karbasi

Large language models (LLMs) have transformed many fields, including natural language processing, computer vision, and reinforcement learning. These models have also made a significant impact in the field of law, where they are being…

Computation and Language · Computer Science 2023-03-17 Zhongxiang Sun

Interpretable machine learning has exploded as an area of interest over the last decade, sparked by the rise of increasingly large datasets and deep neural networks. Simultaneously, large language models (LLMs) have demonstrated remarkable…

Computation and Language · Computer Science 2024-02-06 Chandan Singh , Jeevana Priya Inala , Michel Galley , Rich Caruana , Jianfeng Gao