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Representation learning on graphs is a fundamental problem that can be crucial in various tasks. Graph neural networks, the dominant approach for graph representation learning, are limited in their representation power. Therefore, it can be…

Machine Learning · Computer Science 2025-01-17 Zuoyu Yan , Qi Zhao , Ze Ye , Tengfei Ma , Liangcai Gao , Zhi Tang , Yusu Wang , Chao Chen

Recent advances in graph neural networks (GNNs) have enabled more comprehensive modeling of molecules and molecular systems, thereby enhancing the precision of molecular property prediction and molecular simulations. Nonetheless, as the…

Machine Learning · Computer Science 2023-10-31 Filip Ekström Kelvinius , Dimitar Georgiev , Artur Petrov Toshev , Johannes Gasteiger

ELM (Extreme Learning Machine) is a single hidden layer feed-forward network, where the weights between input and hidden layer are initialized randomly. ELM is efficient due to its utilization of the analytical approach to compute weights…

Machine Learning · Computer Science 2016-06-21 Qiuyan Yan , Qifa Sun , Xinming Yan

Graph neural networks (GNNs) have received tremendous attention due to their power in learning effective representations for graphs. Most GNNs follow a message-passing scheme where the node representations are updated by aggregating and…

Machine Learning · Computer Science 2021-05-11 Wei Jin , Xiaorui Liu , Yao Ma , Tyler Derr , Charu Aggarwal , Jiliang Tang

Data selection methods, such as active learning and core-set selection, are useful tools for improving the data efficiency of deep learning models on large-scale datasets. However, recent deep learning models have moved forward from…

Machine Learning · Computer Science 2021-08-03 Wentao Zhang , Zhi Yang , Yexin Wang , Yu Shen , Yang Li , Liang Wang , Bin Cui

Predicting the effect of amino acid mutations on enzyme thermodynamic stability (DDG) is fundamental to protein engineering and drug design. While recent deep learning approaches have shown promise, they often process sequence and structure…

Machine Learning · Computer Science 2025-11-10 Abigail Lin

Time, cost, and energy efficiency are critical considerations in Deep-Learning (DL), particularly when processing long texts. Transformers, which represent the current state of the art, exhibit quadratic computational complexity relative to…

Computation and Language · Computer Science 2025-07-11 Fardin Rastakhiz

The first provably efficient algorithm for learning graph neural networks (GNNs) with one hidden layer for node information convolution is provided in this paper. Two types of GNNs are investigated, depending on whether labels are attached…

Machine Learning · Computer Science 2020-12-08 Qunwei Li , Shaofeng Zou , Wenliang Zhong

3D Multi-object tracking (MOT) is crucial to autonomous systems. Recent work uses a standard tracking-by-detection pipeline, where feature extraction is first performed independently for each object in order to compute an affinity matrix.…

Computer Vision and Pattern Recognition · Computer Science 2020-06-15 Xinshuo Weng , Yongxin Wang , Yunze Man , Kris Kitani

In this work, we propose a methodology for investigating the use of semantic attention to enhance the explainability of Graph Neural Network (GNN)-based models. Graph Deep Learning (GDL) has emerged as a promising field for tasks like scene…

Machine Learning · Computer Science 2023-10-24 Efimia Panagiotaki , Daniele De Martini , Lars Kunze

Recent years have seen a rise in the development of representational learning methods for graph data. Most of these methods, however, focus on node-level representation learning at various scales (e.g., microscopic, mesoscopic, and…

Machine Learning · Computer Science 2021-11-18 Lili Wang , Chenghan Huang , Weicheng Ma , Xinyuan Cao , Soroush Vosoughi

Knowledge distillation (KD) has shown great potential for transferring knowledge from a complex teacher model to a simple student model in which the heavy learning task can be accomplished efficiently and without losing too much prediction…

Machine Learning · Computer Science 2023-07-14 Dai Shi , Zhiqi Shao , Yi Guo , Junbin Gao

In this paper, we explore the graph partitioning problem, a pivotal combina-torial optimization challenge with extensive applications in various fields such as science, technology, and business. Recognized as an NP-hard prob-lem, graph…

Machine Learning · Computer Science 2023-12-13 Vivek Chaudhary

Machine learning applied to computer vision and signal processing is achieving results comparable to the human brain on specific tasks due to the great improvements brought by the deep neural networks (DNN). The majority of state-of-the-art…

Computer Vision and Pattern Recognition · Computer Science 2020-06-30 José Augusto Stuchi , Levy Boccato , Romis Attux

The integration of Spiking Neural Networks (SNNs) and Graph Neural Networks (GNNs) is gradually attracting attention due to the low power consumption and high efficiency in processing the non-Euclidean data represented by graphs. However,…

Neural and Evolutionary Computing · Computer Science 2025-07-15 Nan Yin , Mengzhu Wang , Zhenghan Chen , Giulia De Masi , Bin Gu , Huan Xiong

Kernel learning methods are among the most effective learning methods and have been vigorously studied in the past decades. However, when tackling with complicated tasks, classical kernel methods are not flexible or "rich" enough to…

Machine Learning · Computer Science 2019-10-08 Jiaxuan Xie , Fanghui Liu , Kaijie Wang , Xiaolin Huang

In this paper, we propose a general framework for constructing tight framelet systems on graphs with localized supports based on partition trees. Our construction of framelets provides a simple and efficient way to obtain the orthogonality…

Signal Processing · Electrical Eng. & Systems 2025-09-09 Ruigang Zheng , Xiaosheng Zhuang

Despite the recent success of Graph Neural Networks, it remains challenging to train a GNN on large graphs with millions of nodes and billions of edges, which are prevalent in many graph-based applications. Traditional sampling-based…

Machine Learning · Computer Science 2022-10-04 Zheng Chai , Guangji Bai , Liang Zhao , Yue Cheng

Learning a faithful directed acyclic graph (DAG) from samples of a joint distribution is a challenging combinatorial problem, owing to the intractable search space superexponential in the number of graph nodes. A recent breakthrough…

Machine Learning · Computer Science 2019-04-24 Yue Yu , Jie Chen , Tian Gao , Mo Yu

Numerous social, medical, engineering and biological challenges can be framed as graph-based learning tasks. Here, we propose a new feature based approach to network classification. We show how dynamics on a network can be useful to reveal…

Machine Learning · Statistics 2017-06-01 Leonardo Gutierrez Gomez , Benjamin Chiem , Jean-Charles Delvenne