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Graph-structured data arise ubiquitously in many application domains. A fundamental problem is to quantify their similarities. Graph kernels are often used for this purpose, which decompose graphs into substructures and compare these…

Machine Learning · Computer Science 2020-03-26 Wei Ye , Zhen Wang , Rachel Redberg , Ambuj Singh

The problem of accelerating drug discovery relies heavily on automatic tools to optimize precursor molecules to afford them with better biochemical properties. Our work in this paper substantially extends prior state-of-the-art on…

Chemical Physics · Physics 2019-10-22 Wengong Jin , Regina Barzilay , Tommi Jaakkola

We present a tree-structured network architecture for large scale image classification. The trunk of the network contains convolutional layers optimized over all classes. At a given depth, the trunk splits into separate branches, each…

Computer Vision and Pattern Recognition · Computer Science 2017-04-20 Karim Ahmed , Mohammad Haris Baig , Lorenzo Torresani

Graph learning from data represents a canonical problem that has received substantial attention in the literature. However, insufficient work has been done in incorporating prior structural knowledge onto the learning of underlying…

Machine Learning · Statistics 2019-04-23 Sandeep Kumar , Jiaxi Ying , José Vinícius de M. Cardoso , Daniel Palomar

In document classification, graph-based models effectively capture document structure, overcoming sequence length limitations and enhancing contextual understanding. However, most existing graph document representations rely on heuristics,…

Computation and Language · Computer Science 2025-08-05 Margarita Bugueño , Gerard de Melo

Graph neural network (GNN)'s success in graph classification is closely related to the Weisfeiler-Lehman (1-WL) algorithm. By iteratively aggregating neighboring node features to a center node, both 1-WL and GNN obtain a node representation…

Machine Learning · Computer Science 2021-10-27 Muhan Zhang , Pan Li

Graph kernels have been successfully applied to many graph classification problems. Typically, a kernel is first designed, and then an SVM classifier is trained based on the features defined implicitly by this kernel. This two-stage…

Recently, text classification model based on graph neural network (GNN) has attracted more and more attention. Most of these models adopt a similar network paradigm, that is, using pre-training node embedding initialization and two-layer…

Computation and Language · Computer Science 2023-01-26 Jiayuan Chen , Boyu Zhang , Yinfei Xu , Meng Wang

Hierarchical reinforcement learning (HRL) improves the efficiency of long-horizon reinforcement-learning tasks with sparse rewards by decomposing the task into a hierarchy of subgoals. The main challenge of HRL is efficient discovery of the…

Machine Learning · Computer Science 2025-07-08 Sadegh Khorasani , Saber Salehkaleybar , Negar Kiyavash , Matthias Grossglauser

Deep learning, particularly convolutional neural networks (CNNs), have yielded rapid, significant improvements in computer vision and related domains. But conventional deep learning architectures perform poorly when data have an underlying…

Signal Processing · Electrical Eng. & Systems 2020-12-02 Mark Cheung , John Shi , Oren Wright , Lavender Y. Jiang , Xujin Liu , José M. F. Moura

Graph clustering is a crucial task in network analysis with widespread applications, focusing on partitioning nodes into distinct groups with stronger intra-group connections than inter-group ones. Recently, contrastive learning has…

Machine Learning · Computer Science 2024-08-20 Xunlian Wu , Jingqi Hu , Anqi Zhang , Yining Quan , Qiguang Miao , Peng Gang Sun

Recent works on machine learning for combinatorial optimization have shown that learning based approaches can outperform heuristic methods in terms of speed and performance. In this paper, we consider the problem of finding an optimal…

While a considerable amount of semantic parsing approaches have employed RNN architectures for code generation tasks, there have been only few attempts to investigate the applicability of Transformers for this task. Including hierarchical…

Computation and Language · Computer Science 2022-06-28 Klaudia-Doris Thellmann , Bernhard Stadler , Ricardo Usbeck , Jens Lehmann

Recent advances in representation learning on graphs, mainly leveraging graph convolutional networks, have brought a substantial improvement on many graph-based benchmark tasks. While novel approaches to learning node embeddings are highly…

Machine Learning · Statistics 2018-11-06 Cătălina Cangea , Petar Veličković , Nikola Jovanović , Thomas Kipf , Pietro Liò

Decision trees are renowned for their ability to achieve high predictive performance while remaining interpretable, especially on tabular data. Traditionally, they are constructed through recursive algorithms, where they partition the data…

Machine Learning · Computer Science 2024-08-27 Yufan Zhuang , Liyuan Liu , Chandan Singh , Jingbo Shang , Jianfeng Gao

We propose and study a method for learning interpretable representations for the task of regression. Features are represented as networks of multi-type expression trees comprised of activation functions common in neural networks in addition…

Neural and Evolutionary Computing · Computer Science 2019-03-26 William La Cava , Tilak Raj Singh , James Taggart , Srinivas Suri , Jason H. Moore

Wireless sensor networks (WSNs) are the foundation of the Internet of Things (IoT), and in the era of the fifth generation of wireless communication networks, they are envisioned to be truly ubiquitous, reliable, scalable, and energy…

Signal Processing · Electrical Eng. & Systems 2019-11-01 Xiangyue Meng , Hazer Inaltekin , Brian Krongold

In this paper, we develop a new aligned vertex convolutional network model to learn multi-scale local-level vertex features for graph classification. Our idea is to transform the graphs of arbitrary sizes into fixed-sized aligned vertex…

Machine Learning · Computer Science 2019-02-27 Lu Bai , Lixin Cui , Shu Wu , Yuhang Jiao , Edwin R. Hancock

Graph convolution is a recent scalable method for performing deep feature learning on attributed graphs by aggregating local node information over multiple layers. Such layers only consider attribute information of node neighbors in the…

Machine Learning · Computer Science 2022-07-04 Tsuyoshi Murata , Naveed Afzal

While kernel methods and Graph Neural Networks offer complementary strengths, integrating the two has posed challenges in efficiency and scalability. The Graph Neural Tangent Kernel provides a theoretical bridge by interpreting GNNs through…

Machine Learning · Computer Science 2025-07-17 Lin Wang , Shijie Wang , Sirui Huang , Qing Li
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