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Molecular representation learning is crucial for the problem of molecular property prediction, where graph neural networks (GNNs) serve as an effective solution due to their structure modeling capabilities. Since labeled data is often…

机器学习 · 计算机科学 2023-09-26 Cameron Diao , Kaixiong Zhou , Zirui Liu , Xiao Huang , Xia Hu

Large language models (LLMs) have demonstrated astonishing capabilities in natural language processing (NLP) tasks, sparking interest in their application to professional domains with higher specialized requirements. However, restricted…

计算与语言 · 计算机科学 2024-05-09 Zheyan Qu , Lu Yin , Zitong Yu , Wenbo Wang , Xing zhang

The field of vision-and-language (VL) understanding has made unprecedented progress with end-to-end large pre-trained VL models (VLMs). However, they still fall short in zero-shot reasoning tasks that require multi-step inferencing. To…

计算机视觉与模式识别 · 计算机科学 2025-04-14 Haoxuan You , Zhecan Wang , Rui Sun , Long Chen , Gengyu Wang , Hammad A. Ayyubi , Kai-Wei Chang , Shih-Fu Chang

Background: Log messages provide valuable information about the status of software systems. This information is provided in an unstructured fashion and automated approaches are applied to extract relevant parameters. To ease this process,…

软件工程 · 计算机科学 2024-09-05 Merve Astekin , Max Hort , Leon Moonen

Deep learning-based approaches, particularly those leveraging pre-trained language models (PLMs), have shown promise in automated software vulnerability detection. However, existing methods are predominantly limited to specific programming…

软件工程 · 计算机科学 2025-05-13 Junji Yu , Honglin Shu , Michael Fu , Dong Wang , Chakkrit Tantithamthavorn , Yasutaka Kamei , Junjie Chen

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…

计算与语言 · 计算机科学 2025-03-25 Shervin Minaee , Tomas Mikolov , Narjes Nikzad , Meysam Chenaghlu , Richard Socher , Xavier Amatriain , Jianfeng Gao

Large Language Models (LLMs) have demonstrated remarkable zero-shot generalization across various language-related tasks, including search engines. However, existing work utilizes the generative ability of LLMs for Information Retrieval…

计算与语言 · 计算机科学 2024-12-31 Weiwei Sun , Lingyong Yan , Xinyu Ma , Shuaiqiang Wang , Pengjie Ren , Zhumin Chen , Dawei Yin , Zhaochun Ren

As a primary means of information acquisition, information retrieval (IR) systems, such as search engines, have integrated themselves into our daily lives. These systems also serve as components of dialogue, question-answering, and…

计算与语言 · 计算机科学 2025-09-18 Yutao Zhu , Huaying Yuan , Shuting Wang , Jiongnan Liu , Wenhan Liu , Chenlong Deng , Haonan Chen , Zheng Liu , Zhicheng Dou , Ji-Rong Wen

This paper presents the development and application of a Large Language Model Retrieval-Augmented Generation (LLM-RAG) system tailored for nanotechnology research. The system leverages the capabilities of a sophisticated language model to…

Humankind's understanding of the world is fundamentally linked to our perception and cognition, with \emph{human languages} serving as one of the major carriers of \emph{world knowledge}. In this vein, \emph{Large Language Models} (LLMs)…

人工智能 · 计算机科学 2024-06-27 Huajun Chen

Large Language Models (LLMs) have swiftly emerged as vital resources for different applications in the biomedical and healthcare domains; however, these models encounter issues such as generating inaccurate information or hallucinations.…

计算与语言 · 计算机科学 2024-05-06 Mingchen Li , Halil Kilicoglu , Hua Xu , Rui Zhang

General-purpose large language models (LLMs) that rely on in-context learning do not reliably deliver the scientific understanding and performance required for drug discovery tasks. Simply increasing model size or introducing reasoning…

Large Language Models (LLMs) are central to the one-for-all intelligent paradigm, but they face a fundamental challenge when dealing with heterogeneous scientific data such as molecules: the inherent gap between discrete linguistic symbols…

人工智能 · 计算机科学 2026-05-22 Yuxuan Chen , Changwei Lv , Yunduo Xiao , Zhongjing Du , Daquan Zhou , Yukun Yan , Zheni Zeng , Zhiyuan Liu

Recent advancements in Natural Language Processing (NLP), particularly in Large Language Models (LLMs), associated with deep learning-based computer vision techniques, have shown substantial potential for automating a variety of tasks. One…

计算机视觉与模式识别 · 计算机科学 2023-07-06 Lucas Prado Osco , Eduardo Lopes de Lemos , Wesley Nunes Gonçalves , Ana Paula Marques Ramos , José Marcato Junior

Since the release of ChatGPT in November 2022, large language models (LLMs) have seen considerable success, including in the open-source community, with many open-weight models available. However, the requirements to deploy such a service…

性能 · 计算机科学 2025-06-13 Yannis Bendi-Ouis , Dan Dutartre , Xavier Hinaut

The rise of large language models (LLMs) like ChatGPT has significantly improved automated code generation, enhancing software development efficiency. However, this introduces challenges in academia, particularly in distinguishing between…

软件工程 · 计算机科学 2025-01-08 Zhenyu Xu , Victor S. Sheng

The widespread adoption of REST APIs, coupled with their growing complexity and size, has led to the need for automated REST API testing tools. Current tools focus on the structured data in REST API specifications but often neglect valuable…

软件工程 · 计算机科学 2024-01-31 Myeongsoo Kim , Tyler Stennett , Dhruv Shah , Saurabh Sinha , Alessandro Orso

Conversational search requires accurate interpretation of user intent from complex multi-turn contexts. This paper presents ChatRetriever, which inherits the strong generalization capability of large language models to robustly represent…

信息检索 · 计算机科学 2024-04-23 Kelong Mao , Chenlong Deng , Haonan Chen , Fengran Mo , Zheng Liu , Tetsuya Sakai , Zhicheng Dou

Molecular representation learning (MRL) is a fundamental task for drug discovery. However, previous deep-learning (DL) methods focus excessively on learning robust inner-molecular representations by mask-dominated pretraining framework,…

生物大分子 · 定量生物学 2023-06-16 Yu Wang , JingJie Zhang , Junru Jin , Leyi Wei

With an increasing number of parameters and pre-training data, generative large language models (LLMs) have shown remarkable capabilities to solve tasks with minimal or no task-related examples. Notably, LLMs have been successfully employed…

计算与语言 · 计算机科学 2023-10-31 Christoph Leiter , Juri Opitz , Daniel Deutsch , Yang Gao , Rotem Dror , Steffen Eger