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Comorbidity carries significant implications for disease understanding and management. The genetic causes for comorbidity often trace back to mutations occurred either in the same gene associated with two diseases or in different genes…

Machine Learning · Computer Science 2025-03-07 Xihan Qin , Li Liao

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

Supervised learning with tabular data presents unique challenges, including low data sizes, the absence of structural cues, and heterogeneous features spanning both categorical and continuous domains. Unlike vision and language tasks, where…

Machine Learning · Computer Science 2025-12-18 Yunze Leng , Rohan Ghosh , Mehul Motani

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

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

Transformer-based deep learning models have shown promise for disease risk prediction using electronic health records(EHRs), but modeling temporal dependencies remains a key challenge due to irregular visit intervals and lack of uniform…

Machine Learning · Computer Science 2025-11-10 Daniel S. Lee , Mayra S. Haedo-Cruz , Chen Jiang , Oshin Miranda , LiRong Wang

Positional and structural encodings (PSE) enable better identifiability of nodes within a graph, rendering them essential tools for empowering modern GNNs, and in particular graph Transformers. However, designing PSEs that work optimally…

Unsupervised pre-training on vast amounts of graph data is critical in real-world applications wherein labeled data is limited, such as molecule properties prediction or materials science. Existing approaches pre-train models for specific…

Machine Learning · Computer Science 2024-10-01 Viet Anh Nguyen , Nhat Khang Ngo , Truong Son Hy

Graph transformers extend global self-attention to graph-structured data, achieving notable success in graph learning. Recently, random walk structural encoding (RWSE) has been found to further enhance their predictive power by encoding…

Machine Learning · Computer Science 2025-06-03 Louis Airale , Antonio Longa , Mattia Rigon , Andrea Passerini , Roberto Passerone

Recent advancements in large-scale pre-training have shown the potential to learn generalizable representations for downstream tasks. In the graph domain, however, capturing and transferring structural information across different graph…

Machine Learning · Computer Science 2026-02-24 Jialin Chen , Haolan Zuo , Haoyu Peter Wang , Siqi Miao , Pan Li , Rex Ying

In recent years, the Transformer architecture has proven to be very successful in sequence processing, but its application to other data structures, such as graphs, has remained limited due to the difficulty of properly defining positions.…

Machine Learning · Computer Science 2021-10-28 Devin Kreuzer , Dominique Beaini , William L. Hamilton , Vincent Létourneau , Prudencio Tossou

Transformers rely on both content-based and position-based addressing mechanisms to make predictions, but existing positional encoding techniques often diminish the effectiveness of position-based addressing. Many current methods enforce…

Computation and Language · Computer Science 2025-08-22 Jiajun Zhu , Peihao Wang , Ruisi Cai , Jason D. Lee , Pan Li , Zhangyang Wang

The widespread application of machine learning techniques to biomedical data has produced many new insights into disease progression and improving clinical care. Inspired by the flexibility and interpretability of graphs (networks), as well…

Machine Learning · Computer Science 2023-12-27 Steven J. Krieg , Nitesh V. Chawla , Keith Feldman

In recent years, 2D-to-3D pose uplifting in monocular 3D Human Pose Estimation (HPE) has attracted widespread research interest. GNN-based methods and Transformer-based methods have become mainstream architectures due to their advanced…

Computer Vision and Pattern Recognition · Computer Science 2024-10-23 Mengmeng Cui , Kunbo Zhang , Zhenan Sun

Graph neural networks (GNNs) have become the standard learning architectures for graphs. GNNs have been applied to numerous domains ranging from quantum chemistry, recommender systems to knowledge graphs and natural language processing. A…

Machine Learning · Computer Science 2022-02-11 Vijay Prakash Dwivedi , Anh Tuan Luu , Thomas Laurent , Yoshua Bengio , Xavier Bresson

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

Recent advances in Transformer models allow for unprecedented sequence lengths, due to linear space and time complexity. In the meantime, relative positional encoding (RPE) was proposed as beneficial for classical Transformers and consists…

Machine Learning · Computer Science 2021-06-11 Antoine Liutkus , Ondřej Cífka , Shih-Lun Wu , Umut Şimşekli , Yi-Hsuan Yang , Gaël Richard

Electronic Health Records (EHR) have been heavily used in modern healthcare systems for recording patients' admission information to hospitals. Many data-driven approaches employ temporal features in EHR for predicting specific diseases,…

Machine Learning · Computer Science 2021-12-07 Chang Lu , Chandan K. Reddy , Yue Ning

Discovering gene-disease associations is crucial for understanding disease mechanisms, yet identifying these associations remains challenging due to the time and cost of biological experiments. Computational methods are increasingly vital…

Artificial Intelligence · Computer Science 2025-01-15 Wentao Cui , Shoubo Li , Chen Fang , Qingqing Long , Chengrui Wang , Xuezhi Wang , Yuanchun Zhou

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
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