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Large Language Models (LLMs) have shown remarkable reasoning capabilities in mathematical and scientific tasks. To enhance complex reasoning, multi-agent systems have been proposed to harness the collective intelligence of LLM agents.…

Artificial Intelligence · Computer Science 2025-10-22 Zhenyu Bi , Meng Lu , Yang Li , Swastik Roy , Weijie Guan , Morteza Ziyadi , Xuan Wang

Using Large Language Models (LLMs) to process graph-structured data is an active research area, yet current state-of-the-art approaches typically rely on multi-step pipelines with Graph Neural Network (GNN) encoders that compress rich…

Machine Learning · Computer Science 2026-05-12 Dario Vajda

Predicting molecular properties is a critical component of drug discovery. Recent advances in deep learning, particularly Graph Neural Networks (GNNs), have enabled end-to-end learning from molecular structures, reducing reliance on manual…

Computation and Language · Computer Science 2025-09-26 Peng Zhou , Lai Hou Tim , Zhixiang Cheng , Kun Xie , Chaoyi Li , Wei Liu , Xiangxiang Zeng

Large Language Models (LLMs) have emerged as powerful tools for accelerating scientific discovery, yet their static knowledge and hallucination issues hinder autonomous research applications. Recent advances integrate LLMs into agentic…

Artificial Intelligence · Computer Science 2025-12-23 Zeyu Xia , Jinzhe Ma , Congjie Zheng , Shufei Zhang , Yuqiang Li , Hang Su , P. Hu , Changshui Zhang , Xingao Gong , Wanli Ouyang , Lei Bai , Dongzhan Zhou , Mao Su

Graph-structured data plays a vital role in numerous domains, such as social networks, citation networks, commonsense reasoning graphs and knowledge graphs. While graph neural networks have been employed for graph processing, recent…

Computation and Language · Computer Science 2026-05-19 Wooyoung Kim , Byungyoon Park , Wooju Kim

Evaluating the surroundings to gain understanding, frame perspectives, and anticipate behavioral reactions is an inherent human trait. However, these continuous encounters are diverse and complex, posing challenges to their study and…

Computers and Society · Computer Science 2026-02-26 Deepank Verma , Olaf Mumm , Vanessa Miriam Carlow

Large language models (LLMs) have demonstrated remarkable capabilities in a wide range of tasks, yet their application to specialized domains remains challenging due to the need for deep expertise. Retrieval-Augmented generation (RAG) has…

Computation and Language · Computer Science 2025-09-30 Qinggang Zhang , Shengyuan Chen , Yuanchen Bei , Zheng Yuan , Huachi Zhou , Zijin Hong , Hao Chen , Yilin Xiao , Chuang Zhou , Junnan Dong , Yi Chang , Xiao Huang

The era of intelligent agents is upon us, driven by revolutionary advancements in large language models. Large Language Model (LLM) agents, with goal-driven behaviors and dynamic adaptation capabilities, potentially represent a critical…

Open-source pre-trained Large Language Models (LLMs) exhibit strong language understanding and generation capabilities, making them highly successful in a variety of tasks. However, when used as agents for dealing with complex problems in…

Computation and Language · Computer Science 2024-04-01 Qinhao Zhou , Zihan Zhang , Xiang Xiang , Ke Wang , Yuchuan Wu , Yongbin Li

Textual Attributed Graphs (TAGs) are crucial for modeling complex real-world systems, yet leveraging large language models (LLMs) for TAGs presents unique challenges due to the gap between sequential text processing and graph-structured…

Machine Learning · Computer Science 2025-05-09 Zhengyu Hu , Yichuan Li , Zhengyu Chen , Jingang Wang , Han Liu , Kyumin Lee , Kaize Ding

Large Language Models (LLMs) exploit fine-tuning as a technique to adapt to diverse goals, thanks to task-specific training data. Task specificity should go hand in hand with domain orientation, that is, the specialization of an LLM to…

Computation and Language · Computer Science 2023-09-20 Teodoro Baldazzi , Luigi Bellomarini , Stefano Ceri , Andrea Colombo , Andrea Gentili , Emanuel Sallinger

An embodied agent assisting humans is often asked to complete new tasks, and there may not be sufficient time or labeled examples to train the agent to perform these new tasks. Large Language Models (LLMs) trained on considerable knowledge…

Ontologies are essential for structuring domain knowledge, improving accessibility, sharing, and reuse. However, traditional ontology construction relies on manual annotation and conventional natural language processing (NLP) techniques,…

Artificial Intelligence · Computer Science 2026-02-03 Xuan Liu , Ziyu Li , Mu He , Ziyang Ma , Xiaoxu Wu , Gizem Yilmaz , Yiyuan Xia , Bingbing Li , He Tan , Jerry Ying Hsi Fuh , Wen Feng Lu , Anders E. W. Jarfors , Per Jansson

Objective: To demonstrate the capabilities of Large Language Models (LLMs) as autonomous agents to reproduce findings of published research studies using the same or similar dataset. Materials and Methods: We used the "Quick Access" dataset…

Computation and Language · Computer Science 2025-06-02 Nic Dobbins , Christelle Xiong , Kristine Lan , Meliha Yetisgen

Artificial intelligence (AI) is widely deployed to solve problems related to marketing attribution and budget optimization. However, AI models can be quite complex, and it can be difficult to understand model workings and insights without…

Computation and Language · Computer Science 2024-04-23 Yilin Gao , Sai Kumar Arava , Yancheng Li , James W. Snyder

This paper presents a hybrid architecture for intelligent systems in which large language models (LLMs) are extended with an external ontological memory layer. Instead of relying solely on parametric knowledge and vector-based retrieval…

Artificial Intelligence · Computer Science 2026-04-23 Pavel Salovskii , Iuliia Gorshkova

Capitalizing on the remarkable advancements in Large Language Models (LLMs), there is a burgeoning initiative to harness LLMs for instruction following robotic navigation. Such a trend underscores the potential of LLMs to generalize…

Computer Vision and Pattern Recognition · Computer Science 2024-09-23 Gengze Zhou , Yicong Hong , Zun Wang , Xin Eric Wang , Qi Wu

Recently, ChatGPT, a representative large language model (LLM), has gained considerable attention due to its powerful emergent abilities. Some researchers suggest that LLMs could potentially replace structured knowledge bases like knowledge…

Computation and Language · Computer Science 2024-01-31 Linyao Yang , Hongyang Chen , Zhao Li , Xiao Ding , Xindong Wu

Vector embeddings derived from large language models (LLMs) show promise in capturing latent information from the literature. Interestingly, these can be integrated into material embeddings, potentially useful for data-driven predictions of…

Computation and Language · Computer Science 2024-09-19 Luke P. J. Gilligan , Matteo Cobelli , Hasan M. Sayeed , Taylor D. Sparks , Stefano Sanvito

Large language models (LLMs) have recently been used to empower autonomous agents in engineering, significantly improving automation and efficiency in labor-intensive workflows. However, their potential remains underexplored in structural…

Computation and Language · Computer Science 2025-10-08 Ziheng Geng , Jiachen Liu , Ran Cao , Lu Cheng , Haifeng Wang , Minghui Cheng