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Related papers: Expressive Power of Graph Transformers via Logic

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Large Language Models (LLMs) excel at generating natural language answers, yet their outputs often remain unverifiable and difficult to trace. Knowledge Graphs (KGs) offer a complementary strength by representing entities and their…

Computation and Language · Computer Science 2025-12-05 Alfonso Amayuelas , Joy Sain , Simerjot Kaur , Charese Smiley

Transductive tasks on graphs differ fundamentally from typical supervised machine learning tasks, as the independent and identically distributed (i.i.d.) assumption does not hold among samples. Instead, all train/test/validation samples are…

Machine Learning · Computer Science 2024-11-21 Hamed Shirzad , Honghao Lin , Ameya Velingker , Balaji Venkatachalam , David Woodruff , Danica Sutherland

To deepen our understanding of graph neural networks, we investigate the representation power of Graph Convolutional Networks (GCN) through the looking glass of graph moments, a key property of graph topology encoding path of various…

Machine Learning · Computer Science 2019-11-04 Nima Dehmamy , Albert-László Barabási , Rose Yu

Graph Transformers (GTs) have demonstrated remarkable performance in graph representation learning over popular graph neural networks (GNNs). However, self--attention, the core module of GTs, preserves only low-frequency signals in graph…

Machine Learning · Computer Science 2025-05-30 Guoguo Ai , Guansong Pang , Hezhe Qiao , Yuan Gao , Hui Yan

Graph neural networks (GNNs) have been widely used in graph-related contexts. It is known that the separation power of GNNs is equivalent to that of the Weisfeiler-Lehman (WL) test; hence, GNNs are imperfect at identifying all…

Machine Learning · Computer Science 2025-02-07 Ziang Chen , Qiao Zhang , Runzhong Wang

Graph Transformers (GTs) have demonstrated their advantages across a wide range of tasks. However, the self-attention mechanism in GTs overlooks the graph's inductive biases, particularly biases related to structure, which are crucial for…

Machine Learning · Computer Science 2024-04-25 Chuang Liu , Zelin Yao , Yibing Zhan , Xueqi Ma , Shirui Pan , Wenbin Hu

Graphs play an important role in representing complex relationships in various domains like social networks, knowledge graphs, and molecular discovery. With the advent of deep learning, Graph Neural Networks (GNNs) have emerged as a…

Machine Learning · Computer Science 2024-06-05 Wenqi Fan , Shijie Wang , Jiani Huang , Zhikai Chen , Yu Song , Wenzhuo Tang , Haitao Mao , Hui Liu , Xiaorui Liu , Dawei Yin , Qing Li

The advancement of Large Language Models (LLMs) has remarkably pushed the boundaries towards artificial general intelligence (AGI), with their exceptional ability on understanding diverse types of information, including but not limited to…

Computation and Language · Computer Science 2023-10-10 Ziwei Chai , Tianjie Zhang , Liang Wu , Kaiqiao Han , Xiaohai Hu , Xuanwen Huang , Yang Yang

Graph Neural Networks (GNNs) have become the standard approach for learning and reasoning over relational data, leveraging the message-passing mechanism that iteratively propagates node embeddings through graph structures. While GNNs have…

Machine Learning · Computer Science 2025-01-14 Xiaoyu Li , Yingyu Liang , Zhenmei Shi , Zhao Song , Wei Wang , Jiahao Zhang

Designing expressive Graph Neural Networks (GNNs) is a fundamental topic in the graph learning community. So far, GNN expressiveness has been primarily assessed via the Weisfeiler-Lehman (WL) hierarchy. However, such an expressivity measure…

Machine Learning · Computer Science 2024-01-17 Bohang Zhang , Jingchu Gai , Yiheng Du , Qiwei Ye , Di He , Liwei Wang

Transformer-based models have recently shown success in representation learning on graph-structured data beyond natural language processing and computer vision. However, the success is limited to small-scale graphs due to the drawbacks of…

Machine Learning · Computer Science 2022-10-05 Jinyoung Park , Seongjun Yun , Hyeonjin Park , Jaewoo Kang , Jisu Jeong , Kyung-Min Kim , Jung-woo Ha , Hyunwoo J. Kim

In recent years, a wide variety of graph neural network (GNN) architectures have emerged, each with its own strengths, weaknesses, and complexities. Various techniques, including rewiring, lifting, and node annotation with centrality…

Machine Learning · Computer Science 2024-10-14 Zhifei Li , Gerrit Großmann , Verena Wolf

Large Language Models (LLMs) are increasingly used for various tasks with graph structures. Though LLMs can process graph information in a textual format, they overlook the rich vision modality, which is an intuitive way for humans to…

Computation and Language · Computer Science 2024-11-01 Yanbin Wei , Shuai Fu , Weisen Jiang , Zejian Zhang , Zhixiong Zeng , Qi Wu , James T. Kwok , Yu Zhang

Learning representations on large-sized graphs is a long-standing challenge due to the inter-dependence nature involved in massive data points. Transformers, as an emerging class of foundation encoders for graph-structured data, have shown…

Machine Learning · Computer Science 2024-08-19 Qitian Wu , Wentao Zhao , Chenxiao Yang , Hengrui Zhang , Fan Nie , Haitian Jiang , Yatao Bian , Junchi Yan

Recent advances in interpretability suggest we can project weights and hidden states of transformer-based language models (LMs) to their vocabulary, a transformation that makes them more human interpretable. In this paper, we investigate LM…

Computation and Language · Computer Science 2023-11-27 Shahar Katz , Yonatan Belinkov

The expressive power of graph neural networks is usually measured by comparing how many pairs of graphs or nodes an architecture can possibly distinguish as non-isomorphic to those distinguishable by the $k$-dimensional Weisfeiler-Leman…

Machine Learning · Computer Science 2024-04-02 Arjun Subramonian , Adina Williams , Maximilian Nickel , Yizhou Sun , Levent Sagun

The study of graph queries in database theory has spanned more than three decades, resulting in a multitude of proposals for graph query languages. These languages differ in the mechanisms. We can identify three main families of languages,…

Databases · Computer Science 2025-04-15 Michael Benedikt , Anthony Widjaja Lin , Di-De Yen

GNN-based approaches for learning general policies across planning domains are limited by the expressive power of $C_2$, namely; first-order logic with two variables and counting. This limitation can be overcame by transitioning to…

Artificial Intelligence · Computer Science 2025-02-19 Simon Ståhlberg , Blai Bonet , Hector Geffner

The expressive limitations of message-passing Graph Neural Networks (GNNs) have motivated a wide range of more powerful graph learning architectures. We advocate Deep Homomorphism Networks (DHNs) as a model particularly well-suited for…

Databases · Computer Science 2026-05-25 Moritz Schönherr , Balder ten Cate , Maurice Funk , Benny Kimelfeld , Carsten Lutz , Arie Soeteman

Motivated by interpretability and reliability, we investigate whether large language models (LLMs) deploy universal geometric structures to encode discrete, graph-structured knowledge. To this end, we present two complementary experimental…

Machine Learning · Computer Science 2025-11-25 David D. Baek , Yuxiao Li , Max Tegmark