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The problem of relevant and diverse subset selection has a wide range of applications, including recommender systems and retrieval-augmented generation (RAG). For example, in recommender systems, one is interested in selecting relevant…

Machine Learning · Computer Science 2026-03-10 Vu Nguyen , Andrey Kan

Retrieval, the initial stage of a recommendation system, is tasked with down-selecting items from a pool of tens of millions of candidates to a few thousands. Embedding Based Retrieval (EBR) has been a typical choice for this problem,…

We introduce a novel approach to graph-level representation learning, which is to embed an entire graph into a vector space where the embeddings of two graphs preserve their graph-graph proximity. Our approach, UGRAPHEMB, is a general…

Machine Learning · Computer Science 2019-06-04 Yunsheng Bai , Hao Ding , Yang Qiao , Agustin Marinovic , Ken Gu , Ting Chen , Yizhou Sun , Wei Wang

Graph neural networks (GNNs) are increasingly often employed in high-stakes applications, such as fraud detection or healthcare, but are susceptible to adversarial attacks. A number of techniques have been proposed to provide adversarial…

Machine Learning · Computer Science 2026-05-14 Minghao Liu , Chia-Hsuan Lu , Marta Kwiatkowska

Neural architecture search (NAS) automates the design process of high-performing architectures, but remains bottlenecked by expensive performance evaluation. Most existing studies that achieve faster evaluation are mostly tied to cell-based…

Machine Learning · Computer Science 2025-10-07 Shiwen Qin , Alexander Auras , Shay B. Cohen , Elliot J. Crowley , Michael Moeller , Linus Ericsson , Jovita Lukasik

Presently with technology node scaling, an accurate prediction model at early design stages can significantly reduce the design cycle. Especially during logic synthesis, predicting cell congestion due to improper logic combination can…

Machine Learning · Computer Science 2021-11-12 Amur Ghose , Vincent Zhang , Yingxue Zhang , Dong Li , Wulong Liu , Mark Coates

Subgraph counting aims to count the occurrences of a subgraph template T in a given network G. The basic problem of computing structural properties such as counting triangles and other subgraphs has found applications in diverse domains.…

Distributed, Parallel, and Cluster Computing · Computer Science 2019-03-12 Langshi Chen , Jiayu Li , Ariful Azad , Lei Jiang , Madhav Marathe , Anil Vullikanti , Andrey Nikolaev , Egor Smirnov , Ruslan Israfilov , Judy Qiu

Large graphs are present in a variety of domains, including social networks, civil infrastructure, and the physical sciences to name a few. Graph generation is similarly widespread, with applications in drug discovery, network analysis and…

Machine Learning · Computer Science 2023-11-08 Alex O. Davies , Nirav S. Ajmeri , Telmo M. Silva Filho

Hypergraph Neural Networks (HyGNNs) have demonstrated remarkable success in modeling higher-order relationships among entities. However, their performance often degrades on heterophilic hypergraphs, where nodes connected by the same…

Machine Learning · Computer Science 2026-02-17 Tianyi Ma , Yiyue Qian , Zehong Wang , Zheyuan Zhang , Chuxu Zhang , Yanfang Ye

Combinatorial Optimisation problems arise in several application domains and are often formulated in terms of graphs. Many of these problems are NP-hard, but exact solutions are not always needed. Several heuristics have been developed to…

Machine Learning · Computer Science 2022-05-23 David Ireland , Giovanni Montana

Graph neural networks (GNNs) have attracted widespread attention for their impressive capability of graph representation learning. However, the increasing prevalence of large-scale graphs presents a significant challenge for GNN training…

Machine Learning · Computer Science 2025-05-13 Xinyi Gao , Hongzhi Yin , Tong Chen , Guanhua Ye , Wentao Zhang , Bin Cui

Subgraph representation learning based on Graph Neural Network (GNN) has exhibited broad applications in scientific advancements, such as predictions of molecular structure-property relationships and collective cellular function. In…

Machine Learning · Computer Science 2022-10-17 Yili Shen , Xiao Liu , Cheng-Wei Ju , Jiaxu Yan , Jun Yi , Zhou Lin , Hui Guan

How can we subsample graph data so that a graph neural network (GNN) trained on the subsample achieves performance comparable to training on the full dataset? This question is of fundamental interest, as smaller datasets reduce labeling…

Machine Learning · Computer Science 2025-02-25 Mika Sarkin Jain , Stefanie Jegelka , Ishani Karmarkar , Luana Ruiz , Ellen Vitercik

Graph neural networks (GNNs) are popular weapons for modeling relational data. Existing GNNs are not specified for attribute-incomplete graphs, making missing attribute imputation a burning issue. Until recently, many works notice that GNNs…

Machine Learning · Computer Science 2022-12-01 Ziqi Gao , Yifan Niu , Jiashun Cheng , Jianheng Tang , Tingyang Xu , Peilin Zhao , Lanqing Li , Fugee Tsung , Jia Li

Subgraph GNNs enhance message-passing GNNs expressivity by representing graphs as sets of subgraphs, demonstrating impressive performance across various tasks. However, their scalability is hindered by the need to process large numbers of…

Machine Learning · Computer Science 2025-06-02 Guy Bar-Shalom , Yam Eitan , Fabrizio Frasca , Haggai Maron

Graph neural networks (GNNs) naturally align with sparse operators and unstructured discretizations, making them a promising paradigm for physics-informed machine learning in computational mechanics. Motivated by discrete physics losses and…

Machine Learning · Computer Science 2026-02-10 Jianchuan Yang , Xi Chen , Jidong Zhao

Hyperbolic geometry has emerged as a powerful tool for modeling complex, structured data, particularly where hierarchical or tree-like relationships are present. By enabling embeddings with lower distortion, hyperbolic neural networks offer…

Machine Learning · Computer Science 2025-06-18 Pol Arévalo , Alexis Molina , Álvaro Ciudad

Graph neural networks (GNNs) are powerful machine learning models for various graph learning tasks. Recently, the limitations of the expressive power of various GNN models have been revealed. For example, GNNs cannot distinguish some…

Machine Learning · Computer Science 2021-01-19 Ryoma Sato , Makoto Yamada , Hisashi Kashima

Graph Neural Networks (GNNs) have achieved state-of-the-art performance in solving graph classification tasks. However, most GNN architectures aggregate information from all nodes and edges in a graph, regardless of their relevance to the…

Machine Learning · Statistics 2024-04-19 Pablo Sanchez-Martin , Kinaan Aamir Khan , Isabel Valera

Learning to reason about relations and dynamics over multiple interacting objects is a challenging topic in machine learning. The challenges mainly stem from that the interacting systems are exponentially-compositional, symmetrical, and…

Machine Learning · Computer Science 2022-03-15 Wenbing Huang , Jiaqi Han , Yu Rong , Tingyang Xu , Fuchun Sun , Junzhou Huang