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The quest for accurate prediction of drug molecule properties poses a fundamental challenge in the realm of Artificial Intelligence Drug Discovery (AIDD). An effective representation of drug molecules emerges as a pivotal component in this…

Machine Learning · Computer Science 2024-04-22 Zhuoyuan Wang , Jiacong Mi , Shan Lu , Jieyue He

Graph-based semi-supervised node classification has been shown to become a state-of-the-art approach in many applications with high research value and significance. Most existing methods are only based on the original intrinsic or…

Machine Learning · Computer Science 2023-06-08 Jianpeng Liao , Jun Yan , Qian Tao

Graph representation learning plays a vital role in processing graph-structured data. However, prior arts on graph representation learning heavily rely on labeling information. To overcome this problem, inspired by the recent success of…

Machine Learning · Computer Science 2021-07-19 Ming Jin , Yizhen Zheng , Yuan-Fang Li , Chen Gong , Chuan Zhou , Shirui Pan

Self-supervised learning of graph neural networks (GNNs) aims to learn an accurate representation of the graphs in an unsupervised manner, to obtain transferable representations of them for diverse downstream tasks. Predictive learning and…

Machine Learning · Computer Science 2022-10-11 Dongki Kim , Jinheon Baek , Sung Ju Hwang

Prompt tuning methods have achieved remarkable success in parameter-efficient fine-tuning on large pre-trained models. However, their application to dual-modal fusion-based visual-language pre-trained models (VLPMs), such as GLIP, has…

Computer Vision and Pattern Recognition · Computer Science 2024-07-17 Yang Zhou , Yongjian Wu , Jiya Saiyin , Bingzheng Wei , Maode Lai , Eric Chang , Yan Xu

Deep generative models (DGMs) have been widely developed for graph data. However, much less investigation has been carried out on understanding the latent space of such pretrained graph DGMs. These understandings possess the potential to…

Machine Learning · Computer Science 2024-01-31 Shengchao Liu , Chengpeng Wang , Jiarui Lu , Weili Nie , Hanchen Wang , Zhuoxinran Li , Bolei Zhou , Jian Tang

Foundation models, such as Large Language Models (LLMs) or Large Vision Models (LVMs), have emerged as one of the most powerful tools in the respective fields. However, unlike text and image data, graph data do not have a definitive…

Machine Learning · Computer Science 2025-04-28 Lecheng Kong , Jiarui Feng , Hao Liu , Chengsong Huang , Jiaxin Huang , Yixin Chen , Muhan Zhang

In recent years, Dynamic Graph (DG) representations have been increasingly used for modeling dynamic systems due to their ability to integrate both topological and temporal information in a compact representation. Dynamic graphs allow to…

Machine Learning · Computer Science 2023-04-13 Leshanshui Yang , Sébastien Adam , Clément Chatelain

Most neural models of causality assume static causal graphs, failing to capture the dynamic and sparse nature of physical interactions where causal relationships emerge and dissolve over time. We introduce the Causal Process Framework and…

Machine Learning · Computer Science 2026-04-07 Turan Orujlu , Christian Gumbsch , Martin V. Butz , Charley M Wu

Graph Neural Networks (GNNs) have already been widely applied in various graph mining tasks. However, they suffer from the shallow architecture issue, which is the key impediment that hinders the model performance improvement. Although…

Machine Learning · Computer Science 2021-08-03 Wentao Zhang , Zeang Sheng , Yuezihan Jiang , Yikuan Xia , Jun Gao , Zhi Yang , Bin Cui

Graph representation learning methods are highly effective in handling complex non-Euclidean data by capturing intricate relationships and features within graph structures. However, traditional methods face challenges when dealing with…

Machine Learning · Computer Science 2025-02-25 Hang Gao , Chenhao Zhang , Fengge Wu , Junsuo Zhao , Changwen Zheng , Huaping Liu

Vulnerability detection is a critical problem in software security and attracts growing attention both from academia and industry. Traditionally, software security is safeguarded by designated rule-based detectors that heavily rely on…

Software Engineering · Computer Science 2024-06-07 Tiehua Zhang , Rui Xu , Jianping Zhang , Yuze Liu , Xin Chen , Jun Yin , Xi Zheng

Graph Neural Networks (GNNs) have attracted increasing attention in recent years and have achieved excellent performance in semi-supervised node classification tasks. The success of most GNNs relies on one fundamental assumption, i.e., the…

Machine Learning · Computer Science 2024-12-03 Junchao Lin , Yuan Wan , Jingwen Xu , Xingchen Qi

Graph foundation models (GFM) aim to acquire transferable knowledge by pre-training on diverse graphs, which can be adapted to various downstream tasks. However, domain shift in graphs is inherently two-dimensional: graphs differ not only…

Computation and Language · Computer Science 2026-03-12 Xingtong Yu , Shenghua Ye , Ruijuan Liang , Chang Zhou , Hong Cheng , Xinming Zhang , Yuan Fang

In this paper, we introduce a self-supervised learning method to enhance the graph-level representations with the help of a set of subgraphs. For this purpose, we propose a universal framework to generate subgraphs in an auto-regressive way…

Machine Learning · Computer Science 2021-05-10 Chenguang Wang , Ziwen Liu

Diffusion probabilistic models (DPMs), widely recognized for their potential to generate high-quality samples, tend to go unnoticed in representation learning. While recent progress has highlighted their potential for capturing visual…

Machine Learning · Computer Science 2025-05-09 Dingshuo Chen , Shuchen Xue , Liuji Chen , Yingheng Wang , Qiang Liu , Shu Wu , Zhi-Ming Ma , Liang Wang

With the emergence of large pre-trained vison-language model like CLIP, transferable representations can be adapted to a wide range of downstream tasks via prompt tuning. Prompt tuning tries to probe the beneficial information for…

Computer Vision and Pattern Recognition · Computer Science 2023-07-10 Yinghui Xing , Qirui Wu , De Cheng , Shizhou Zhang , Guoqiang Liang , Peng Wang , Yanning Zhang

We propose self-adaptive training -- a unified training algorithm that dynamically calibrates and enhances training processes by model predictions without incurring an extra computational cost -- to advance both supervised and…

Machine Learning · Computer Science 2022-10-17 Lang Huang , Chao Zhang , Hongyang Zhang

Graph neural networks (GNNs) are shown to be successful in modeling applications with graph structures. However, training an accurate GNN model requires a large collection of labeled data and expressive features, which might be inaccessible…

Machine Learning · Computer Science 2019-06-03 Ziniu Hu , Changjun Fan , Ting Chen , Kai-Wei Chang , Yizhou Sun

Semi-supervised learning through deep generative models and multi-lingual pretraining techniques have orchestrated tremendous success across different areas of NLP. Nonetheless, their development has happened in isolation, while the…

Computation and Language · Computer Science 2021-01-27 Yi Zhu , Ehsan Shareghi , Yingzhen Li , Roi Reichart , Anna Korhonen
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