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This paper presents Graph-of-Thought (GoT), a new model for workflow automation that enhances the flexibility and efficiency of Large Language Models (LLMs) in complex task execution. GoT advances beyond traditional linear and tree-like…

Artificial Intelligence · Computer Science 2024-02-20 Ye Li

Graph Neural Networks (GNNs) have evolved to understand graph structures through recursive exchanges and aggregations among nodes. To enhance robustness, self-supervised learning (SSL) has become a vital tool for data augmentation.…

Computation and Language · Computer Science 2024-05-08 Jiabin Tang , Yuhao Yang , Wei Wei , Lei Shi , Lixin Su , Suqi Cheng , Dawei Yin , Chao Huang

The rapidly growing number and variety of Large Language Models (LLMs) present significant challenges in efficiently selecting the appropriate LLM for a given query, especially considering the trade-offs between performance and…

Artificial Intelligence · Computer Science 2025-03-18 Tao Feng , Yanzhen Shen , Jiaxuan You

Present-day graphical user interfaces (GUIs) exhibit diverse arrangements of text, graphics, and interactive elements such as buttons and menus, but representations of GUIs have not kept up. They do not encapsulate both semantic and…

Human-Computer Interaction · Computer Science 2024-04-23 Yue Jiang , Changkong Zhou , Vikas Garg , Antti Oulasvirta

We introduce the Hierarchical Unified Graph Representation (HUGR): a novel graph based intermediate representation for mixed quantum-classical programs. HUGR's design features high expressivity and extensibility to capture the capabilities…

The proliferation of complex, multimodal datasets has exposed a critical gap between the capabilities of specialized vector databases and traditional graph databases. While vector databases excel at semantic similarity search, they lack the…

Databases · Computer Science 2025-10-14 Joydeep Chandra , Satyam Kumar Navneet , Yong Zhang

Formation mechanisms are fundamental to the study of complex networks, but learning them from observations is challenging. In real-world domains, one often has access only to the final constructed graph, instead of the full construction…

Machine Learning · Computer Science 2020-07-08 Rakshit Trivedi , Jiachen Yang , Hongyuan Zha

Heterogeneous graphs offer powerful data representations for traffic, given their ability to model the complex interaction effects among a varying number of traffic participants and the underlying road infrastructure. With the recent advent…

Machine Learning · Computer Science 2023-04-25 Eivind Meyer , Maurice Brenner , Bowen Zhang , Max Schickert , Bilal Musani , Matthias Althoff

In this work, we propose to employ information-geometric tools to optimize a graph neural network architecture such as the graph convolutional networks. More specifically, we develop optimization algorithms for the graph-based…

Machine Learning · Computer Science 2020-08-25 Mohammad Rasool Izadi , Yihao Fang , Robert Stevenson , Lizhen Lin

In recent years, there has been notable interest in investigating combinatorial optimization (CO) problems by neural-based framework. An emerging strategy to tackle these challenging problems involves the adoption of graph neural networks…

Machine Learning · Computer Science 2024-06-11 Yang Liu , Chuan Zhou , Peng Zhang , Shirui Pan , Zhao Li , Hongyang Chen

The performance of graph programs depends highly on the algorithm, the size and structure of the input graphs, as well as the features of the underlying hardware. No single set of optimizations or one hardware platform works well across all…

Distributed, Parallel, and Cluster Computing · Computer Science 2021-01-11 Ajay Brahmakshatriya , Yunming Zhang , Changwan Hong , Shoaib Kamil , Julian Shun , Saman Amarasinghe

We present an innovative framework for traffic dynamics analysis using High-Order Evolving Graphs, designed to improve spatio-temporal representations in autonomous driving contexts. Our approach constructs temporal bidirectional bipartite…

Computer Vision and Pattern Recognition · Computer Science 2024-09-19 Aditya Humnabadkar , Arindam Sikdar , Benjamin Cave , Huaizhong Zhang , Paul Bakaki , Ardhendu Behera

Graph Neural Networks (GNNs) have been successfully used in many problems involving graph-structured data, achieving state-of-the-art performance. GNNs typically employ a message-passing scheme, in which every node aggregates information…

Machine Learning · Computer Science 2022-11-22 Michail Chatzianastasis , Johannes F. Lutzeyer , George Dasoulas , Michalis Vazirgiannis

Graph similarity search is among the most important graph-based applications, e.g. finding the chemical compounds that are most similar to a query compound. Graph similarity computation, such as Graph Edit Distance (GED) and Maximum Common…

Machine Learning · Computer Science 2020-03-03 Yunsheng Bai , Hao Ding , Song Bian , Ting Chen , Yizhou Sun , Wei Wang

This chapter delves into the emerging field of neuro-symbolic query optimization for knowledge graphs (KGs), presenting a comprehensive exploration of how neural and symbolic techniques can be integrated to enhance query processing.…

Databases · Computer Science 2024-11-22 Maribel Acosta , Chang Qin , Tim Schwabe

Bayesian optimization (BO) is a powerful framework for optimizing expensive black-box objectives, yet extending it to graph-structured domains remains challenging due to the discrete and combinatorial nature of graphs. Existing approaches…

Machine Learning · Computer Science 2025-11-12 Shu Hong , Yongsheng Mei , Mahdi Imani , Tian Lan

Multi-graph learning is crucial for extracting meaningful signals from collections of heterogeneous graphs. However, effectively integrating information across graphs with differing topologies, scales, and semantics, often in the absence of…

Machine Learning · Computer Science 2026-02-02 Zahra Moslemi , Ziyi Liang , Norbert Fortin , Babak Shahbaba

Geometric graphs are a special kind of graph with geometric features, which are vital to model many scientific problems. Unlike generic graphs, geometric graphs often exhibit physical symmetries of translations, rotations, and reflections,…

Graph-based Retrieval-Augmented Generation (RAG) has proven effective in integrating external knowledge into large language models (LLMs), improving their factual accuracy, adaptability, interpretability, and trustworthiness. A number of…

Information Retrieval · Computer Science 2026-04-28 Yingli Zhou , Yaodong Su , Youran Sun , Shu Wang , Taotao Wang , Runyuan He , Yongwei Zhang , Sicong Liang , Xilin Liu , Yuchi Ma , Yixiang Fang

We present a comprehensive benchmark dataset for Knowledge Graph Question Answering in Materials Science (KGQA4MAT), with a focus on metal-organic frameworks (MOFs). A knowledge graph for metal-organic frameworks (MOF-KG) has been…