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Graph Neural Networks (GNNs) have become a standard approach for learning from graph-structured data. However, their reliance on parametric classifiers (most often linear softmax layers) limits interpretability and sometimes hinders…

Machine Learning · Computer Science 2026-02-03 Zeljko Bolevic , Milos Brajovic , Isidora Stankovic , Ljubisa Stankovic

Graphs can represent relational information among entities and graph structures are widely used in many intelligent tasks such as search, recommendation, and question answering. However, most of the graph-structured data in practice suffers…

Information Retrieval · Computer Science 2021-12-30 Hanxiong Chen , Yunqi Li , Shaoyun Shi , Shuchang Liu , He Zhu , Yongfeng Zhang

Graph Neural Nets (GNNs) have received increasing attentions, partially due to their superior performance in many node and graph classification tasks. However, there is a lack of understanding on what they are learning and how sophisticated…

Machine Learning · Computer Science 2020-06-11 Ting Chen , Song Bian , Yizhou Sun

Our interest is in scientific problems with the following characteristics: (1) Data are naturally represented as graphs; (2) The amount of data available is typically small; and (3) There is significant domain-knowledge, usually expressed…

Machine Learning · Computer Science 2021-08-17 Tirtharaj Dash , Ashwin Srinivasan , Lovekesh Vig

The exploration of Graph Neural Networks (GNNs) for processing graph-structured data has expanded, particularly their potential for causal analysis due to their universal approximation capabilities. Anticipated to significantly enhance…

Machine Learning · Computer Science 2024-01-30 Simi Job , Xiaohui Tao , Taotao Cai , Lin Li , Haoran Xie , Jianming Yong

Graph neural networks (GNNs) are powerful graph-based machine-learning models that are popular in various domains, e.g., social media, transportation, and drug discovery. However, owing to complex data representations, GNNs do not easily…

Machine Learning · Computer Science 2024-05-14 Pantea Habibi , Peyman Baghershahi , Sourav Medya , Debaleena Chattopadhyay

Sparse matrix computations are ubiquitous in scientific computing. With the recent interest in scientific machine learning, it is natural to ask how sparse matrix computations can leverage neural networks (NN). Unfortunately, multi-layer…

Numerical Analysis · Mathematics 2023-10-24 Nicholas S. Moore , Eric C. Cyr , Peter Ohm , Christopher M. Siefert , Raymond S. Tuminaro

Graph neural networks (GNNs) have been successfully applied in many structured data domains, with applications ranging from molecular property prediction to the analysis of social networks. Motivated by the broad applicability of GNNs, we…

Machine Learning · Computer Science 2021-10-12 Clemens Damke , Eyke Hüllermeier

Graph Neural Networks (GNNs) are widely used to compute representations of node pairs for downstream tasks such as link prediction. Yet, theoretical understanding of their expressive power has focused almost entirely on graph-level…

Machine Learning · Computer Science 2025-07-01 Veronica Lachi , Francesco Ferrini , Antonio Longa , Bruno Lepri , Andrea Passerini , Manfred Jaeger

Graph Neural Networks (GNNs) are a predominant method for graph representation learning. However, beyond subgraph frequency estimation, their application to network motif significance-profile (SP) prediction remains under-explored, with no…

Machine Learning · Computer Science 2025-07-11 Pedro C. Vieira , Miguel E. P. Silva , Pedro Manuel Pinto Ribeiro

Our goal is to answer elementary-level science questions using knowledge extracted automatically from science textbooks, expressed in a subset of first-order logic. Given the incomplete and noisy nature of these automatically extracted…

Artificial Intelligence · Computer Science 2015-07-14 Tushar Khot , Niranjan Balasubramanian , Eric Gribkoff , Ashish Sabharwal , Peter Clark , Oren Etzioni

Graph Neural Networks (GNN) have recently gained popularity in the forecasting domain due to their ability to model complex spatial and temporal patterns in tasks such as traffic forecasting and region-based demand forecasting. Most of…

Machine Learning · Computer Science 2023-12-08 Abishek Sriramulu , Nicolas Fourrier , Christoph Bergmeir

Probabilistic graphical models are traditionally known for their successes in generative modeling. In this work, we advocate layered graphical models (LGMs) for probabilistic discriminative learning. To this end, we design LGMs in close…

Machine Learning · Computer Science 2019-02-04 Yuesong Shen , Tao Wu , Csaba Domokos , Daniel Cremers

Large language models (LLMs) have shown remarkable generalization capability with exceptional performance in various language modeling tasks. However, they still exhibit inherent limitations in precisely capturing and returning grounded…

Computation and Language · Computer Science 2024-01-01 Yijun Tian , Huan Song , Zichen Wang , Haozhu Wang , Ziqing Hu , Fang Wang , Nitesh V. Chawla , Panpan Xu

Graph Neural Networks (GNN) have shown a strong potential to be integrated into commercial products for network control and management. Early works using GNN have demonstrated an unprecedented capability to learn from different network…

Networking and Internet Architecture · Computer Science 2021-10-05 Miquel Ferriol-Galmés , José Suárez-Varela , Krzysztof Rusek , Pere Barlet-Ros , Albert Cabellos-Aparicio

Textual Attributed Graphs (TAGs) are crucial for modeling complex real-world systems, yet leveraging large language models (LLMs) for TAGs presents unique challenges due to the gap between sequential text processing and graph-structured…

Machine Learning · Computer Science 2025-05-09 Zhengyu Hu , Yichuan Li , Zhengyu Chen , Jingang Wang , Han Liu , Kyumin Lee , Kaize Ding

Subgraph-enhanced graph neural networks (SGNN) can increase the expressive power of the standard message-passing framework. This model family represents each graph as a collection of subgraphs, generally extracted by random sampling or with…

Machine Learning · Computer Science 2023-04-17 Indro Spinelli , Michele Guerra , Filippo Maria Bianchi , Simone Scardapane

Graph neural networks (GNNs) have shown promising performance for knowledge graph reasoning. A recent variant of GNN called progressive relational graph neural network (PRGNN), utilizes relational rules to infer missing knowledge in…

Computation and Language · Computer Science 2023-10-23 Shuhan Wu , Huaiyu Wan , Wei Chen , Yuting Wu , Junfeng Shen , Youfang Lin

Graph Neural Networks (GNNs) have emerged as transformative tools for modeling complex relational data, offering unprecedented capabilities in tasks like forecasting and optimization. This study investigates the application of GNNs to…

Machine Learning · Computer Science 2025-01-14 Chi-Sheng Chen , Ying-Jung Chen

Recently, the Weisfeiler-Lehman (WL) graph isomorphism test was used to measure the expressive power of graph neural networks (GNN). It was shown that the popular message passing GNN cannot distinguish between graphs that are…

Machine Learning · Computer Science 2020-06-11 Haggai Maron , Heli Ben-Hamu , Hadar Serviansky , Yaron Lipman
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