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Sequence modelling requires determining which past tokens are causally relevant from the context and their importance: a process inherent to the attention layers in transformers, yet whose underlying learned mechanisms remain poorly…

Machine Learning · Computer Science 2026-04-14 Francesco D'Angelo , Nicolas Flammarion

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

Persistent homology, a technique from computational topology, has recently shown strong empirical performance in the context of graph classification. Being able to capture long range graph properties via higher-order topological features,…

Machine Learning · Computer Science 2024-12-20 Rubén Ballester , Bastian Rieck

This paper investigates how Transformer language models (LMs) fine-tuned for acceptability classification capture linguistic features. Our approach uses the best practices of topological data analysis (TDA) in NLP: we construct directed…

Computation and Language · Computer Science 2023-10-04 Irina Proskurina , Irina Piontkovskaya , Ekaterina Artemova

Performing signal processing over graphs requires knowledge of the underlying fixed topology. However, graphs often grow in size with new nodes appearing over time, whose connectivity is typically unknown; hence, making more challenging the…

Signal Processing · Electrical Eng. & Systems 2022-03-16 Bishwadeep Das , Elvin Isufi

Transformers have recently revolutionized many domains in modern machine learning and one salient discovery is their remarkable in-context learning capability, where models can solve an unseen task by utilizing task-specific prompts without…

Machine Learning · Computer Science 2023-10-10 Yu Huang , Yuan Cheng , Yingbin Liang

Deep neural networks have excelled on a wide range of problems, from vision to language and game playing. Neural networks very gradually incorporate information into weights as they process data, requiring very low learning rates. If the…

We revisit the design choices in Transformers, and propose methods to address their weaknesses in handling long sequences. First, we propose a simple layer named gated attention unit, which allows the use of a weaker single-head attention…

Machine Learning · Computer Science 2022-06-28 Weizhe Hua , Zihang Dai , Hanxiao Liu , Quoc V. Le

We propose a generalization of transformer neural network architecture for arbitrary graphs. The original transformer was designed for Natural Language Processing (NLP), which operates on fully connected graphs representing all connections…

Machine Learning · Computer Science 2021-01-26 Vijay Prakash Dwivedi , Xavier Bresson

Transformer architectures have been successfully used in learning source code representations. The fusion between a graph representation like Abstract Syntax Tree (AST) and a source code sequence makes the use of current approaches…

Machine Learning · Computer Science 2021-12-06 Junyan Cheng , Iordanis Fostiropoulos , Barry Boehm

In this work, Transition Probability Matrix (TPM) is proposed as a new method for extracting the features of nodes in the graph. The proposed method uses random walks to capture the connectivity structure of a node's close neighborhood. The…

Machine Learning · Computer Science 2023-03-07 Sarmad N. Mohammed , Semra Gündüç

We propose a mask pretraining method for Graph Neural Networks (GNNs) to improve their performance on fitting potential energy surfaces, particularly in water systems. GNNs are pretrained by recovering spatial information related to…

Machine Learning · Computer Science 2024-06-21 Zehua Zhang , Zijie Li , Amir Barati Farimani

Graph Convolutional Networks (GCNs) have become a crucial tool on learning representations of graph vertices. The main challenge of adapting GCNs on large-scale graphs is the scalability issue that it incurs heavy cost both in computation…

Computer Vision and Pattern Recognition · Computer Science 2018-11-20 Wenbing Huang , Tong Zhang , Yu Rong , Junzhou Huang

The Transformer architecture has achieved remarkable success in a number of domains including natural language processing and computer vision. However, when it comes to graph-structured data, transformers have not achieved competitive…

Machine Learning · Computer Science 2022-10-11 Zaixi Zhang , Qi Liu , Qingyong Hu , Chee-Kong Lee

Foundation models in language and vision benefit from a unified discrete token interface that converts raw inputs into sequences for scalable pre-training and inference. For graphs, an effective tokenizer should yield reusable discrete…

Information Retrieval · Computer Science 2026-05-28 Yang Xiang , Li Fan , Chenke Yin , Lutz Oettershagen , Chengtao Ji

Long-context understanding is crucial for many NLP applications, yet transformers struggle with efficiency due to the quadratic complexity of self-attention. Sparse attention methods alleviate this cost but often impose static, predefined…

Computation and Language · Computer Science 2025-06-16 Hanzhi Zhang , Heng Fan , Kewei Sha , Yan Huang , Yunhe Feng

Learning good quality neural graph embeddings has long been achieved by minimizing the point-wise mutual information (PMI) for co-occurring nodes in simulated random walks. This design choice has been mostly popularized by the direct…

Social and Information Networks · Computer Science 2022-08-29 Asan Agibetov

Graph transformer has been proven as an effective graph learning method for its adoption of attention mechanism that is capable of capturing expressive representations from complex topological and feature information of graphs. Graph…

Machine Learning · Computer Science 2024-03-26 Dongqi Fu , Zhigang Hua , Yan Xie , Jin Fang , Si Zhang , Kaan Sancak , Hao Wu , Andrey Malevich , Jingrui He , Bo Long

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…

Artificial Intelligence · Computer Science 2023-01-31 Chengyu Sun

Transformer-based deep learning models have achieved state-of-the-art performance across numerous language and vision tasks. While the self-attention mechanism, a core component of transformers, has proven capable of handling complex data…

Machine Learning · Computer Science 2025-08-05 Laziz Abdullaev , Tan M. Nguyen