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Trajectory modeling, which includes research on trajectory data pattern mining and future prediction, has widespread applications in areas such as life services, urban transportation, and public administration. Numerous methods have been…

Computation and Language · Computer Science 2025-10-29 Yuwei Du , Jie Feng , Jie Zhao , Yong Li

Large language models (LLMs) have emerged as powerful tools in chemistry, significantly impacting molecule design, property prediction, and synthesis optimization. This review highlights LLM capabilities in these domains and their potential…

Machine Learning · Computer Science 2024-11-18 Mayk Caldas Ramos , Christopher J. Collison , Andrew D. White

The pharmaceutical industry faces unprecedented challenges in drug discovery, with traditional approaches struggling to meet modern therapeutic development demands. This paper introduces a novel AI framework, Tippy, that transforms…

Recent progress in large language models (LLMs) has enabled substantial advances in solving mathematical problems. However, existing benchmarks often fail to reflect the complexity of real-world problems, which demand open-ended,…

Artificial Intelligence · Computer Science 2025-05-22 Cheng Qian , Hongyi Du , Hongru Wang , Xiusi Chen , Yuji Zhang , Avirup Sil , Chengxiang Zhai , Kathleen McKeown , Heng Ji

Large language models (LLMs) are being used in data science code generation tasks, but they often struggle with complex sequential tasks, leading to logical errors. Their application to geospatial data processing is particularly challenging…

Computers and Society · Computer Science 2024-10-28 Yuxing Chen , Weijie Wang , Sylvain Lobry , Camille Kurtz

Capturing human learning behavior based on deep learning methods has become a major research focus in both psychology and intelligent systems. Recent approaches rely on controlled experiments or rule-based models to explore cognitive…

Artificial Intelligence · Computer Science 2025-08-08 Yu Yuan , Lili Zhao , Wei Chen , Guangting Zheng , Kai Zhang , Mengdi Zhang , Qi Liu

Large Language Models (LLMs) show promise in biomedicine but lack true causal understanding, relying instead on correlations. This paper envisions causal LLM agents that integrate multimodal data (text, images, genomics, etc.) and perform…

Artificial Intelligence · Computer Science 2025-05-23 Adib Bazgir , Amir Habibdoust Lafmajani , Yuwen Zhang

The recent advancement of autonomous agents powered by Large Language Models (LLMs) has demonstrated significant potential for automating tasks on mobile devices through graphical user interfaces (GUIs). Despite initial progress, these…

Human-Computer Interaction · Computer Science 2025-07-30 Yi Kong , Dianxi Shi , Guoli Yang , Zhang ke-di , Chenlin Huang , Xiaopeng Li , Songchang Jin

Large language models and autonomous AI agents have evolved rapidly, resulting in a diverse array of evaluation benchmarks, frameworks, and collaboration protocols. Driven by the growing need for standardized evaluation and integration, we…

Artificial Intelligence · Computer Science 2026-03-10 Mohamed Amine Ferrag , Norbert Tihanyi , Merouane Debbah

Open data repositories hold potential for evidence-based decision-making, yet are inaccessible to non-experts lacking expertise in dataset discovery, schema mapping, and statistical analysis. Large language models show promise for…

Artificial Intelligence · Computer Science 2025-11-06 Sina Montazeri , Yunhe Feng , Kewei Sha

Formulating a treatment plan is inherently a complex reasoning and refinement task rather than a simple generation problem. However, existing large language models (LLMs) mainly rely on one-shot output without explicit verification, which…

Artificial Intelligence · Computer Science 2026-05-08 Junkai Li , Yunghwei Lai , Tianyi Zhu , Zheng Long Lee , Weizhi Ma , Yang Liu

Large language models (LLMs) have demonstrated remarkable capabilities across a range of text-generation tasks. However, LLMs still struggle with problems requiring multi-step decision-making and environmental feedback, such as online…

Artificial Intelligence · Computer Science 2025-02-18 Zhenfang Chen , Delin Chen , Rui Sun , Wenjun Liu , Chuang Gan

The rapid evolution of wireless networks presents unprecedented challenges in managing complex and dynamic systems. Existing methods are increasingly facing fundamental limitations in addressing these challenges. In this paper, we introduce…

Signal Processing · Electrical Eng. & Systems 2025-05-05 Jingwen Tong , Wei Guo , Jiawei Shao , Qiong Wu , Zijian Li , Zehong Lin , Jun Zhang

Advances in large language models (LLMs) have recently opened new and promising avenues for small-molecule drug discovery. Yet existing LLM-based approaches for molecular generation often suffer from high rates of invalid and low-quality…

Machine Learning · Computer Science 2026-05-15 Andrew Y. Zhou , Sharvaree Vadgama , Sumanth Varambally , Peter Eckmann , Michael K. Gilson , Rose Yu

Discovering new medicines is the hallmark of human endeavor to live a better and longer life. Yet the pace of discovery has slowed down as we need to venture into more wildly unexplored biomedical space to find one that matches today's high…

Artificial Intelligence · Computer Science 2022-02-16 Tri Minh Nguyen , Thin Nguyen , Truyen Tran

In today's data-driven era, fully automated end-to-end data analytics, particularly insight discovery, is critical for discovering actionable insights that assist organizations in making effective decisions. With the rapid advancement of…

Artificial Intelligence · Computer Science 2025-11-25 Xiaochuan Liu , Yuanfeng Song , Xiaoming Yin , Xing Chen

Wireless networks are increasingly facing challenges due to their expanding scale and complexity. These challenges underscore the need for advanced AI-driven strategies, particularly in the upcoming 6G networks. In this article, we…

Networking and Internet Architecture · Computer Science 2024-09-13 Jingwen Tong , Jiawei Shao , Qiong Wu , Wei Guo , Zijian Li , Zehong Lin , Jun Zhang

In recent years, data science agents powered by Large Language Models (LLMs), known as "data agents," have shown significant potential to transform the traditional data analysis paradigm. This survey provides an overview of the evolution,…

Artificial Intelligence · Computer Science 2025-12-01 Maojun Sun , Ruijian Han , Binyan Jiang , Houduo Qi , Defeng Sun , Yancheng Yuan , Jian Huang

For a long time, humanity has pursued artificial intelligence (AI) equivalent to or surpassing the human level, with AI agents considered a promising vehicle for this pursuit. AI agents are artificial entities that sense their environment,…

The design of alloys is a multi-scale problem that requires a holistic approach that involves retrieving relevant knowledge, applying advanced computational methods, conducting experimental validations, and analyzing the results, a process…

Artificial Intelligence · Computer Science 2024-07-16 Alireza Ghafarollahi , Markus J. Buehler