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Real-world data generation often involves complex inter-dependencies among instances, violating the IID-data hypothesis of standard learning paradigms and posing a challenge for uncovering the geometric structures for learning desired…

Machine Learning · Computer Science 2023-05-30 Qitian Wu , Chenxiao Yang , Wentao Zhao , Yixuan He , David Wipf , Junchi Yan

Transformers have achieved great success in several domains, including Natural Language Processing and Computer Vision. However, its application to real-world graphs is less explored, mainly due to its high computation cost and its poor…

Machine Learning · Computer Science 2023-01-31 Weilin Cong , Yanhong Wu , Yuandong Tian , Mengting Gu , Yinglong Xia , Chun-cheng Jason Chen , Mehrdad Mahdavi

This work introduces NetDiff, an expressive graph denoising diffusion probabilistic architecture that generates wireless ad hoc network link topologies. Such networks, with directional antennas, can achieve unmatched performance when the…

Social and Information Networks · Computer Science 2024-10-14 Félix Marcoccia , Cédric Adjih , Paul Mühlethaler

Graph Transformers (GTs) have demonstrated great effectiveness across various graph analytical tasks. However, the existing GTs focus on training and testing graph data originated from the same distribution, but fail to generalize under…

Machine Learning · Computer Science 2026-03-16 Tianyin Liao , Ziwei Zhang , Yufei Sun , Chunyu Hu , Jianxin Li

Graph neural networks (GNNs) have shown remarkable success in learning representations for graph-structured data. However, GNNs still face challenges in modeling complex phenomena that involve feature transportation. In this paper, we…

Machine Learning · Computer Science 2023-12-21 Moshe Eliasof , Eldad Haber , Eran Treister

Recent advances in Graph Neural Networks (GNNs) have revolutionized graph-structured data modeling, yet traditional GNNs struggle with complex heterogeneous structures prevalent in real-world scenarios. Despite progress in handling…

Machine Learning · Computer Science 2025-01-07 Zongwei Li , Lianghao Xia , Hua Hua , Shijie Zhang , Shuangyang Wang , Chao Huang

With the growing interest in foundation models for brain signals, graph-based pretraining has emerged as a promising paradigm for learning transferable representations from connectome data. However, existing contrastive and masked…

Machine Learning · Computer Science 2026-03-10 Xinxu Wei , Rong Zhou , Lifang He , Yu Zhang

Real-world data generation often involves certain geometries (e.g., graphs) that induce instance-level interdependence. This characteristic makes the generalization of learning models more difficult due to the intricate interdependent…

Machine Learning · Computer Science 2024-06-10 Qitian Wu , Fan Nie , Chenxiao Yang , Junchi Yan

Graph Transformer has demonstrated impressive capabilities in the field of graph representation learning. However, existing approaches face two critical challenges: (1) most models suffer from exponentially increasing computational…

Various Graph Neural Networks (GNNs) have been successful in analyzing data in non-Euclidean spaces, however, they have limitations such as oversmoothing, i.e., information becomes excessively averaged as the number of hidden layers…

Machine Learning · Computer Science 2024-01-23 Jaeyoon Sim , Sooyeon Jeon , InJun Choi , Guorong Wu , Won Hwa Kim

Generation of graphs is a major challenge for real-world tasks that require understanding the complex nature of their non-Euclidean structures. Although diffusion models have achieved notable success in graph generation recently, they are…

Machine Learning · Computer Science 2024-06-04 Jaehyeong Jo , Dongki Kim , Sung Ju Hwang

Learning to generate graphs is challenging as a graph is a set of pairwise connected, unordered nodes encoding complex combinatorial structures. Recently, several works have proposed graph generative models based on normalizing flows or…

Machine Learning · Computer Science 2023-06-21 Xiaohui Chen , Yukun Li , Aonan Zhang , Li-Ping Liu

We argue that Transformers are essentially graph-to-graph models, with sequences just being a special case. Attention weights are functionally equivalent to graph edges. Our Graph-to-Graph Transformer architecture makes this ability…

Computation and Language · Computer Science 2023-10-30 James Henderson , Alireza Mohammadshahi , Andrei C. Coman , Lesly Miculicich

Temporal Graph Neural Networks have garnered substantial attention for their capacity to model evolving structural and temporal patterns while exhibiting impressive performance. However, it is known that these architectures are encumbered…

Machine Learning · Computer Science 2024-02-12 Mahdi Biparva , Raika Karimi , Faezeh Faez , Yingxue Zhang

Graph diffusion models have gained significant attention in graph generation tasks, but they often inherit and amplify topology biases from sensitive attributes (e.g. gender, age, region), leading to unfair synthetic graphs. Existing fair…

Machine Learning · Computer Science 2026-03-03 Wendi Wang , Jiaxi Yang , Yongkang Du , Lu Lin

Diffusion models have established themselves as state-of-the-art generative models across various data modalities, including images and videos, due to their ability to accurately approximate complex data distributions. Unlike traditional…

Machine Learning · Computer Science 2025-10-23 Daniel Wesego

Deep learning is widely applied in computer-aided pathological diagnosis, which alleviates the pathologist workload and provide timely clinical analysis. However, most models generally require large-scale annotated data for training, which…

Computer Vision and Pattern Recognition · Computer Science 2024-03-12 Zeyu Liu , Tianyi Zhang , Yufang He , Yunlu Feng , Yu Zhao , Guanglei Zhang

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

In recent years, diffusion models have achieved remarkable success in various domains of artificial intelligence, such as image synthesis, super-resolution, and 3D molecule generation. However, the application of diffusion models in graph…

Machine Learning · Computer Science 2023-06-26 Run Yang , Yuling Yang , Fan Zhou , Qiang Sun

Constructing appropriate representations of molecules lies at the core of numerous tasks such as material science, chemistry and drug designs. Recent researches abstract molecules as attributed graphs and employ graph neural networks (GNN)…

Machine Learning · Computer Science 2021-07-29 Jianwen Chen , Shuangjia Zheng , Ying Song , Jiahua Rao , Yuedong Yang
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