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Although recent advances in higher-order Graph Neural Networks (GNNs) improve the theoretical expressiveness and molecular property predictive performance, they often fall short of the empirical performance of models that explicitly use…

Machine Learning · Computer Science 2024-07-26 Tom Wollschläger , Niklas Kemper , Leon Hetzel , Johanna Sommer , Stephan Günnemann

Recent studies show that deep vision-only and language-only models--trained on disjoint modalities--nonetheless project their inputs into a partially aligned representational space. Yet we still lack a clear picture of where in each network…

Computer Vision and Pattern Recognition · Computer Science 2025-09-26 Zoe Wanying He , Sean Trott , Meenakshi Khosla

Recently, the Weisfeiler-Lehman (WL) graph isomorphism test was used to measure the expressiveness of graph neural networks (GNNs), showing that the neighborhood aggregation GNNs were at most as powerful as 1-WL test in distinguishing graph…

Machine Learning · Computer Science 2020-12-15 Mingqi Yang , Yanming Shen , Heng Qi , Baocai Yin

Cross-lingual or cross-domain correspondences play key roles in tasks ranging from machine translation to transfer learning. Recently, purely unsupervised methods operating on monolingual embeddings have become effective alignment tools.…

Computation and Language · Computer Science 2018-09-05 David Alvarez-Melis , Tommi S. Jaakkola

Unsupervised learning allows us to leverage unlabelled data, which has become abundantly available, and to create embeddings that are usable on a variety of downstream tasks. However, the typical lack of interpretability of unsupervised…

Machine Learning · Computer Science 2023-09-29 Gregory Scafarto , Madalina Ciortan , Simon Tihon , Quentin Ferre

We propose a new approach for unsupervised alignment of heterogeneous datasets, which maps data from two different domains without any known correspondences to a common metric space. Our method is based on an unbalanced optimal transport…

Machine Learning · Computer Science 2025-05-14 Florian Beier , Moritz Piening , Robert Beinert , Gabriele Steidl

Graphs model complex relationships between entities, with nodes and edges capturing intricate connections. Node representation learning involves transforming nodes into low-dimensional embeddings. These embeddings are typically used as…

Machine Learning · Computer Science 2024-11-04 Ying-Chun Lin , Jennifer Neville

We present a novel framework based on optimal transport for the challenging problem of comparing graphs. Specifically, we exploit the probabilistic distribution of smooth graph signals defined with respect to the graph topology. This allows…

Machine Learning · Computer Science 2019-12-09 Hermina Petric Maretic , Mireille EL Gheche , Giovanni Chierchia , Pascal Frossard

Knowledge graph embeddings rank among the most successful methods for link prediction in knowledge graphs, i.e., the task of completing an incomplete collection of relational facts. A downside of these models is their strong sensitivity to…

Machine Learning · Statistics 2019-07-03 Robert Bamler , Farnood Salehi , Stephan Mandt

Multimodal Attributed Graphs (MAGs) have been widely adopted for modeling complex systems by integrating multi-modal information, such as text and images, on nodes. However, we identify a discrepancy between the implicit semantic structure…

Machine Learning · Computer Science 2026-02-02 Yilong Zuo , Xunkai Li , Zhihan Zhang , Qiangqiang Dai , Ronghua Li , Guoren Wang

Recently, subgraph GNNs have emerged as an important direction for developing expressive graph neural networks (GNNs). While numerous architectures have been proposed, so far there is still a limited understanding of how various design…

Machine Learning · Computer Science 2023-03-30 Bohang Zhang , Guhao Feng , Yiheng Du , Di He , Liwei Wang

Pre-trained seq2seq models excel at graph semantic parsing with rich annotated data, but generalize worse to out-of-distribution (OOD) and long-tail examples. In comparison, symbolic parsers under-perform on population-level metrics, but…

Computation and Language · Computer Science 2023-01-30 Zi Lin , Jeremiah Liu , Jingbo Shang

Graph representation learning has emerged as a cornerstone for tasks like node classification and link prediction, yet prevailing self-supervised learning (SSL) methods face challenges such as computational inefficiency, reliance on…

Machine Learning · Computer Science 2025-09-04 Srinitish Srinivasan , Omkumar CU

Network alignment, which aims to find node correspondence across different networks, is the cornerstone of various downstream multi-network and Web mining tasks. Most of the embedding-based methods indirectly model cross-network node…

Artificial Intelligence · Computer Science 2025-02-27 Qi Yu , Zhichen Zeng , Yuchen Yan , Lei Ying , R. Srikant , Hanghang Tong

In this contribution, we provide a comprehensive evaluation of graph neural networks applied to Boolean satisfiability problems, accompanied by an intuitive explanation of the mechanisms enabling the model to generalize to different…

Machine Learning · Computer Science 2025-04-03 David Mojžíšek , Jan Hůla , Ziwei Li , Ziyu Zhou , Mikoláš Janota

Network alignment is the problem of matching the nodes of two graphs, maximizing the similarity of the matched nodes and the edges between them. This problem is encountered in a wide array of applications-from biological networks to social…

Social and Information Networks · Computer Science 2017-09-07 Eric Malmi , Aristides Gionis , Evimaria Terzi

The Weisfeiler-Leman algorithm ($1$-WL) is a well-studied heuristic for the graph isomorphism problem. Recently, the algorithm has played a prominent role in understanding the expressive power of message-passing graph neural networks…

Machine Learning · Computer Science 2024-05-29 Billy J. Franks , Christopher Morris , Ameya Velingker , Floris Geerts

Deep learning models tend to memorize training data, which hurts their ability to generalize to under-represented classes. We empirically study a convolutional neural network's internal representation of imbalanced image data and measure…

Machine Learning · Computer Science 2022-10-19 Damien Dablain , Colin Bellinger , Bartosz Krawczyk , Nitesh Chawla

The potential for machine learning systems to amplify social inequities and unfairness is receiving increasing popular and academic attention. Much recent work has focused on developing algorithmic tools to assess and mitigate such…

Standard representational similarity methods align each layer of a network to its best match in another independently, producing asymmetric results, lacking a global alignment score, and struggling with networks of different depths. These…

Machine Learning · Computer Science 2026-04-23 Shaan Shah , Meenakshi Khosla