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In this work, we theoretically demonstrate that current graph positional encodings (PEs) are not beneficial and could potentially hurt performance in tasks involving heterophilous graphs, where nodes that are close tend to have different…

Machine Learning · Computer Science 2025-04-30 Michael Ito , Jiong Zhu , Dexiong Chen , Danai Koutra , Jenna Wiens

Graph transformers need strong inductive biases to derive meaningful attention scores. Yet, current methods often fall short in capturing longer ranges, hierarchical structures, or community structures, which are common in various graphs…

Machine Learning · Computer Science 2024-05-28 Yuankai Luo , Hongkang Li , Lei Shi , Xiao-Ming Wu

We propose a novel positional encoding for learning graph on Transformer architecture. Existing approaches either linearize a graph to encode absolute position in the sequence of nodes, or encode relative position with another node using…

Machine Learning · Computer Science 2022-10-17 Wonpyo Park , Woonggi Chang , Donggeon Lee , Juntae Kim , Seung-won Hwang

Transformers have become a central architecture for graph learning, but their application to graphs requires first choosing a tokenization: a graph-to-token map that determines which structural information is exposed at the input. In this…

Machine Learning · Computer Science 2026-05-22 Maya Bechler-Speicher , Gilad Yehudai , Gil Harari , Clayton Sanford , Amir Globerson , Joan Bruna

A foundation model like GPT elicits many emergent abilities, owing to the pre-training with broad inclusion of data and the use of the powerful Transformer architecture. While foundation models in natural languages are prevalent, can we…

Machine Learning · Computer Science 2025-06-18 Ziyuan Tang , Jie Chen

Graph Neural Networks (GNNs) are widely used in graph data mining tasks. Traditional GNNs follow a message passing scheme that can effectively utilize local and structural information. However, the phenomena of over-smoothing and…

Machine Learning · Computer Science 2025-04-14 Zijie Zhou , Zhaoqi Lu , Xuekai Wei , Rongqin Chen , Shenghui Zhang , Pak Lon Ip , Leong Hou U

Temporal graph learning has applications in recommendation systems, traffic forecasting, and social network analysis. Although multiple architectures have been introduced, progress in positional encoding for temporal graphs remains limited.…

Machine Learning · Computer Science 2025-06-03 Yaniv Galron , Fabrizio Frasca , Haggai Maron , Eran Treister , Moshe Eliasof

Graph self-supervised learning seeks to learn effective graph representations without relying on labeled data. Among various approaches, graph autoencoders (GAEs) have gained significant attention for their efficiency and scalability.…

Machine Learning · Computer Science 2025-06-17 Yang Liu , Deyu Bo , Wenxuan Cao , Yuan Fang , Yawen Li , Chuan Shi

Graph spectra are an important class of structural features on graphs that have shown promising results in enhancing Graph Neural Networks (GNNs). Despite their widespread practical use, the theoretical understanding of the power of…

Machine Learning · Computer Science 2025-03-04 Jingchu Gai , Yiheng Du , Bohang Zhang , Haggai Maron , Liwei Wang

Graph transformations definable in logic can be described using the notion of transductions. By understanding transductions as a basic embedding mechanism, which captures the possibility of encoding one graph in another graph by means of…

Combinatorics · Mathematics 2025-01-09 Michał Pilipczuk

A current goal in the graph neural network literature is to enable transformers to operate on graph-structured data, given their success on language and vision tasks. Since the transformer's original sinusoidal positional encodings (PEs)…

Machine Learning · Computer Science 2023-04-11 Patrick Soga , David Chiang

Graph Transformers (GTs) facilitate the comprehension of graph-structured data by calculating the self-attention of node pairs without considering node position information. To address this limitation, we introduce an innovative and…

Machine Learning · Computer Science 2023-12-12 Kushal Bose , Swagatam Das

Transformers are increasingly employed for graph data, demonstrating competitive performance in diverse tasks. To incorporate graph information into these models, it is essential to enhance node and edge features with positional encodings.…

Neuronal morphology encodes critical information about circuit function, development, and disease, yet current methods analyze topology or graph structure in isolation. We introduce GraPHFormer, a multimodal architecture that unifies these…

Computer Vision and Pattern Recognition · Computer Science 2026-03-24 Uzair Shah , Marco Agus , Mahmoud Gamal , Mahmood Alzubaidi , Corrado Cali , Pierre J. Magistretti , Abdesselam Bouzerdoum , Mowafa Househ

A large body of work has investigated the properties of graph neural networks and identified several limitations, particularly pertaining to their expressive power. Their inability to count certain patterns (e.g., cycles) in a graph lies at…

Machine Learning · Computer Science 2024-06-11 Emily Jin , Michael Bronstein , İsmail İlkan Ceylan , Matthias Lanzinger

Positional Encodings (PEs) are essential for injecting structural information into Graph Neural Networks (GNNs), particularly Graph Transformers, yet their empirical impact remains insufficiently understood. We introduce a unified…

Machine Learning · Computer Science 2026-01-15 Florian Grötschla , Jiaqing Xie , Roger Wattenhofer

Graphs are often used to organize data because of their simple topological structure, and therefore play a key role in machine learning. And it turns out that the low-dimensional embedded representation obtained by graph representation…

Machine Learning · Computer Science 2021-01-05 Xing Li , Wei Wei , Xiangnan Feng , Zhiming Zheng

Graph Transformers, which incorporate self-attention and positional encoding, have recently emerged as a powerful architecture for various graph learning tasks. Despite their impressive performance, the complex non-convex interactions…

Machine Learning · Computer Science 2024-06-05 Hongkang Li , Meng Wang , Tengfei Ma , Sijia Liu , Zaixi Zhang , Pin-Yu Chen

Autoencoders are effective deep learning models that can function as generative models and learn latent representations for downstream tasks. The use of graph autoencoders - with both encoder and decoder implemented as message passing…

Machine Learning · Computer Science 2025-03-04 Magnus Cunow , Gerrit Großmann

Significant efforts have been dedicated to integrating the powerful Large Language Models (LLMs) with diverse modalities, particularly focusing on the fusion of language, vision and audio data. However, the graph-structured data, which is…

Computation and Language · Computer Science 2024-12-31 Zipeng Liu , Likang Wu , Ming He , Zhong Guan , Hongke Zhao , Nan Feng