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Self-supervised auto-encoders have emerged as a successful framework for representation learning in computer vision and natural language processing in recent years, However, their application to graph data has been met with limited…

人工智能 · 计算机科学 2023-01-31 Chengyu Sun

Attack graphs are a tool for analyzing security vulnerabilities that capture different and prospective attacks on a system. As a threat modeling tool, it shows possible paths that an attacker can exploit to achieve a particular goal.…

Graph representation learning has garnered significant attention due to its broad applications in various domains, such as recommendation systems and social network analysis. Despite advancements in graph learning methods, challenges still…

机器学习 · 计算机科学 2025-05-30 Bo Pan , Zhen Xiong , Guanchen Wu , Zheng Zhang , Yifei Zhang , Liang Zhao

Generative graph models struggle to scale due to the need to predict the existence or type of edges between all node pairs. To address the resulting quadratic complexity, existing scalable models often impose restrictive assumptions such as…

机器学习 · 计算机科学 2024-05-24 Yiming Qin , Clement Vignac , Pascal Frossard

Graph generation has emerged as a crucial task in machine learning, with significant challenges in generating graphs that accurately reflect specific properties. Existing methods often fall short in efficiently addressing this need as they…

Graph generation is an extremely important task, as graphs are found throughout different areas of science and engineering. In this work, we focus on the modern equivalent of the Erdos-Renyi random graph model: the graph variational…

机器学习 · 计算机科学 2020-02-19 Daniel Flam-Shepherd , Tony Wu , Alan Aspuru-Guzik

Generative networks have made it possible to generate meaningful signals such as images and texts from simple noise. Recently, generative methods based on GAN and VAE were developed for graphs and graph signals. However, the mathematical…

机器学习 · 计算机科学 2019-10-18 Dongmian Zou , Gilad Lerman

Recently, transformers have shown promising performance in learning graph representations. However, there are still some challenges when applying transformers to real-world scenarios due to the fact that deep transformers are hard to train…

机器学习 · 计算机科学 2022-05-13 Sixiao Zhang , Hongxu Chen , Haoran Yang , Xiangguo Sun , Philip S. Yu , Guandong Xu

Graph prediction problems prevail in data analysis and machine learning. The inverse prediction problem, namely to infer input data from given output labels, is of emerging interest in various applications. In this work, we develop…

机器学习 · 统计学 2022-11-22 Chen Xu , Xiuyuan Cheng , Yao Xie

Graph inference plays an essential role in machine learning, pattern recognition, and classification. Signal processing based approaches in literature generally assume some variational property of the observed data on the graph. We make a…

信息论 · 计算机科学 2020-08-24 B. Subbareddy , Aditya Siripuram , Jingxin Zhang

The rise of graph-structured data has driven interest in graph learning and synthetic data generation. While successful in text and image domains, synthetic graph generation remains challenging -- especially for real-world graphs with…

Large Language Models (LLMs) face significant limitations when applied to large-scale graphs, struggling with context constraints and inflexible reasoning. We present GraphChain, a framework that enables LLMs to analyze complex graphs…

人工智能 · 计算机科学 2025-11-11 Chunyu Wei , Wenji Hu , Xingjia Hao , Xin Wang , Yifan Yang , Yueguo Chen , Yang Tian , Yunhai Wang

Recent advances in Graph Convolutional Neural Networks (GCNNs) have shown their efficiency for non-Euclidean data on graphs, which often require a large amount of labeled data with high cost. It it thus critical to learn graph feature…

计算机视觉与模式识别 · 计算机科学 2020-03-20 Xiang Gao , Wei Hu , Guo-Jun Qi

Retrosynthesis prediction is a fundamental problem in organic synthesis, where the task is to identify precursor molecules that can be used to synthesize a target molecule. A key consideration in building neural models for this task is…

机器学习 · 计算机科学 2021-06-07 Vignesh Ram Somnath , Charlotte Bunne , Connor W. Coley , Andreas Krause , Regina Barzilay

Graphs have become an important modeling tool for web applications, and Graph Neural Networks (GNNs) have achieved great success in graph representation learning. However, the performance of traditional GNNs heavily relies on a large amount…

机器学习 · 计算机科学 2024-06-05 Chenghua Gong , Xiang Li , Jianxiang Yu , Cheng Yao , Jiaqi Tan , Chengcheng Yu

Large Language Model (LLM)-based agents demonstrate strong reasoning and execution capabilities on complex tasks when guided by structured instructions, commonly referred to as workflows. However, existing workflow-assisted agent serving…

机器学习 · 计算机科学 2026-05-22 Ao Li , Shangpeng Yang , Fahao Chen , Tianheng Xu , Peng Li , Zhou Su

Graph neural networks (GNNs) are often trained on individual datasets, requiring specialized models and significant hyperparameter tuning due to the unique structures and features of each dataset. This approach limits the scalability and…

机器学习 · 计算机科学 2026-02-17 Divyansha Lachi , Mehdi Azabou , Vinam Arora , Eva Dyer

Neural machine translation (NMT) usually works in a seq2seq learning way by viewing either source or target sentence as a linear sequence of words, which can be regarded as a special case of graph, taking words in the sequence as nodes and…

计算与语言 · 计算机科学 2020-09-17 Sufeng Duan , Hai Zhao , Rui Wang

Pre-trained sequence-to-sequence language models have led to widespread success in many natural language generation tasks. However, there has been relatively less work on analyzing their ability to generate structured outputs such as…

计算与语言 · 计算机科学 2022-04-12 Swarnadeep Saha , Prateek Yadav , Mohit Bansal

Knowledge graph reasoning plays a vital role in various applications and has garnered considerable attention. Recently, path-based methods have achieved impressive performance. However, they may face limitations stemming from constraints in…

人工智能 · 计算机科学 2024-12-18 Junnan Liu , Qianren Mao , Weifeng Jiang , Jianxin Li