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Graph-structured combinatorial challenges are inherently difficult due to their nonlinear and intricate nature, often rendering traditional computational methods ineffective or expensive. However, these challenges can be more naturally…

Artificial Intelligence · Computer Science 2025-01-22 Jie Zhao , Kang Hao Cheong , Witold Pedrycz

Large Language Models (LLMs) have gained the ability to assimilate human knowledge and facilitate natural language interactions with both humans and other LLMs. However, despite their impressive achievements, LLMs have not made significant…

Computation and Language · Computer Science 2023-10-03 Jianan Zhao , Le Zhuo , Yikang Shen , Meng Qu , Kai Liu , Michael Bronstein , Zhaocheng Zhu , Jian Tang

In real-world scientific discovery, human beings always make use of the accumulated prior knowledge with imagination pick select one or a few most promising hypotheses from large and noisy data analysis results. In this study, we introduce…

Machine Learning · Computer Science 2025-01-29 Haoran Song , Jiarui Feng , Guangfu Li , Michael Province , Philip Payne , Yixin Chen , Fuhai Li

Graphs serve as fundamental descriptors for systems composed of interacting elements, capturing a wide array of data types, from molecular interactions to social networks and knowledge graphs. In this paper, we present an exhaustive review…

Machine Learning · Computer Science 2024-11-13 Chenqing Hua

Mechanics-related problems often present unique challenges in achieving accurate geometric and physical representations, particularly for non-uniform structures. Graph neural networks (GNNs) have emerged as a promising tool to tackle these…

Machine Learning · Computer Science 2024-07-17 Yingxue Zhao , Haoran Li , Haosu Zhou , Hamid Reza Attar , Tobias Pfaff , Nan Li

The need to analyze graphs is ubiquitous across various fields, from social networks to biological research and recommendation systems. Therefore, enabling the ability of large language models (LLMs) to process graphs is an important step…

Computation and Language · Computer Science 2025-11-04 Xin Li , Weize Chen , Qizhi Chu , Haopeng Li , Zhaojun Sun , Ran Li , Chen Qian , Yiwei Wei , Zhiyuan Liu , Chuan Shi , Maosong Sun , Cheng Yang

The latest advancements in large language models (LLMs) have revolutionized the field of natural language processing (NLP). Inspired by the success of LLMs in NLP tasks, some recent work has begun investigating the potential of applying…

Artificial Intelligence · Computer Science 2025-02-25 Shengyin Sun , Yuxiang Ren , Jiehao Chen , Chen Ma

Graph-structured data is prevalent in the real world. Recently, due to the powerful emergent capabilities, Large Language Models (LLMs) have shown promising performance in modeling graphs. The key to effectively applying LLMs on graphs is…

Computation and Language · Computer Science 2024-10-16 Haitong Luo , Xuying Meng , Suhang Wang , Tianxiang Zhao , Fali Wang , Hanyun Cao , Yujun Zhang

Graph Neural Networks (GNNs) have become the leading paradigm for learning on (static) graph-structured data. However, many real-world systems are dynamic in nature, since the graph and node/edge attributes change over time. In recent…

Knowledge graph reasoning is pivotal in various domains such as data mining, artificial intelligence, the Web, and social sciences. These knowledge graphs function as comprehensive repositories of human knowledge, facilitating the inference…

Artificial Intelligence · Computer Science 2024-12-17 Lihui Liu , Zihao Wang , Hanghang Tong

In recent years, deep neural networks (DNNs) have known an important rise in popularity. However, although they are state-of-the-art in many machine learning challenges, they still suffer from several limitations. For example, DNNs require…

Machine Learning · Computer Science 2021-10-11 Carlos Lassance , Myriam Bontonou , Mounia Hamidouche , Bastien Pasdeloup , Lucas Drumetz , Vincent Gripon

Handling graph data is one of the most difficult tasks. Traditional techniques, such as those based on geometry and matrix factorization, rely on assumptions about the data relations that become inadequate when handling large and complex…

Machine Learning · Computer Science 2024-04-15 Zhenyu Qian , Yiming Qian , Yuting Song , Fei Gao , Hai Jin , Chen Yu , Xia Xie

Atomistic materials modeling is a critical task with wide-ranging applications, from drug discovery to materials science, where accurate predictions of the target material property can lead to significant advancements in scientific…

Graph neural networks (GNNs) are a class of deep models that operate on data with arbitrary topology represented as graphs. We introduce an efficient memory layer for GNNs that can jointly learn node representations and coarsen the graph.…

Machine Learning · Computer Science 2020-06-11 Amir Hosein Khasahmadi , Kaveh Hassani , Parsa Moradi , Leo Lee , Quaid Morris

The remarkable reasoning and generalization capabilities of Large Language Models (LLMs) have paved the way for their expanding applications in embodied AI, robotics, and other real-world tasks. To effectively support these applications,…

Computation and Language · Computer Science 2025-05-30 Dongil Yang , Minjin Kim , Sunghwan Kim , Beong-woo Kwak , Minjun Park , Jinseok Hong , Woontack Woo , Jinyoung Yeo

The integration of multi-omic data is pivotal for understanding complex diseases, but its high dimensionality and noise present significant challenges. Graph Neural Networks (GNNs) offer a robust framework for analyzing large-scale…

Quantitative Methods · Quantitative Biology 2024-12-23 Heming Zhang , Di Huang , Yixin Chen , Fuhai Li

Large language models have evolved to process multiple modalities beyond text, such as images and audio, which motivates us to explore how to effectively leverage them for graph reasoning tasks. The key question, therefore, is how to…

Large Language Models (LLMs) have achieved great success in various reasoning tasks. In this work, we focus on the graph reasoning ability of LLMs. Although theoretical studies proved that LLMs are capable of handling graph reasoning tasks,…

Computation and Language · Computer Science 2025-01-09 Xinnan Dai , Qihao Wen , Yifei Shen , Hongzhi Wen , Dongsheng Li , Jiliang Tang , Caihua Shan

Message-passing graph neural networks (MPNNs) have emerged as the leading approach for machine learning on graphs, attracting significant attention in recent years. While a large set of works explored the expressivity of MPNNs, i.e., their…

Machine Learning · Computer Science 2025-03-21 Antonis Vasileiou , Stefanie Jegelka , Ron Levie , Christopher Morris

Knowledge Graphs (KGs) have long served as a fundamental infrastructure for structured knowledge representation and reasoning. With the advent of Large Language Models (LLMs), the construction of KGs has entered a new paradigm-shifting from…

Artificial Intelligence · Computer Science 2025-10-24 Haonan Bian