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Molecular Machine Learning (ML) bears promise for efficient molecule property prediction and drug discovery. However, labeled molecule data can be expensive and time-consuming to acquire. Due to the limited labeled data, it is a great…

Machine Learning · Computer Science 2022-04-01 Yuyang Wang , Jianren Wang , Zhonglin Cao , Amir Barati Farimani

Graph representation learning has emerged as a cornerstone for tasks like node classification and link prediction, yet prevailing self-supervised learning (SSL) methods face challenges such as computational inefficiency, reliance on…

Machine Learning · Computer Science 2025-09-04 Srinitish Srinivasan , Omkumar CU

We propose a novel approach for visual representation learning called Signature-Graph Neural Networks (SGN). SGN learns latent global structures that augment the feature representation of Convolutional Neural Networks (CNN). SGN constructs…

Computer Vision and Pattern Recognition · Computer Science 2021-10-25 Ali Hamdi , Flora Salim , Du Yong Kim , Xiaojun Chang

Self-supervised learning (SSL) methods targeting scene images have seen a rapid growth recently, and they mostly rely on either a dedicated dense matching mechanism or a costly unsupervised object discovery module. This paper shows that…

Computer Vision and Pattern Recognition · Computer Science 2023-10-02 Ke Zhu , Minghao Fu , Jianxin Wu

Problems involving multiple networks are prevalent in many scientific and other domains. In particular, network alignment, or the task of identifying corresponding nodes in different networks, has applications across the social and natural…

Social and Information Networks · Computer Science 2018-08-28 Mark Heimann , Haoming Shen , Tara Safavi , Danai Koutra

In this paper, we propose a learning approach for sparse code multiple access (SCMA) signal detection by using a deep neural network via unfolding the procedure of message passing algorithm (MPA). The MPA can be converted to a sparsely…

Information Theory · Computer Science 2018-08-27 Chao Lu , Wei Xu , Hong Shen , Hua Zhang , Xiaohu You

Graph self-supervised learning (SSL) holds considerable promise for mining and learning with graph-structured data. Yet, a significant challenge in graph SSL lies in the feature discrepancy among graphs across different domains. In this…

Machine Learning · Computer Science 2024-06-06 Zhenyu Hou , Haozhan Li , Yukuo Cen , Jie Tang , Yuxiao Dong

Disentangled representation learning (DRL) aims to identify and decompose underlying factors behind observations, thus facilitating data perception and generation. However, current DRL approaches often rely on the unrealistic assumption…

Computer Vision and Pattern Recognition · Computer Science 2024-07-30 Baao Xie , Qiuyu Chen , Yunnan Wang , Zequn Zhang , Xin Jin , Wenjun Zeng

Masked image modelling (e.g., Masked AutoEncoder) and contrastive learning (e.g., Momentum Contrast) have shown impressive performance on unsupervised visual representation learning. This work presents Masked Contrastive Representation…

Computer Vision and Pattern Recognition · Computer Science 2022-11-14 Yuchong Yao , Nandakishor Desai , Marimuthu Palaniswami

Self-supervised learning (SSL) is an emerging paradigm that exploits supervisory signals generated from the data itself, and many recent studies have leveraged SSL to conduct graph anomaly detection. However, we empirically found that three…

Machine Learning · Computer Science 2025-07-01 Zhong Li , Yuhang Wang , Matthijs van Leeuwen

Machine learning (ML) enables accurate and fast molecular property predictions, which are of interest in drug discovery and material design. Their success is based on the principle of similarity at its heart, assuming that similar molecules…

Computational Engineering, Finance, and Science · Computer Science 2026-01-09 Fang Wu

We present a novel self-supervised approach for representation learning, particularly for the task of Visual Relationship Detection (VRD). Motivated by the effectiveness of Masked Image Modeling (MIM), we propose Masked Bounding Box…

Computer Vision and Pattern Recognition · Computer Science 2023-11-09 Zacharias Anastasakis , Dimitrios Mallis , Markos Diomataris , George Alexandridis , Stefanos Kollias , Vassilis Pitsikalis

We propose the Soft Graph Transformer (SGT), a soft-input-soft-output neural architecture designed for MIMO detection. While Maximum Likelihood (ML) detection achieves optimal accuracy, its exponential complexity makes it infeasible in…

Machine Learning · Computer Science 2026-04-14 Jiadong Hong , Lei Liu , Xinyu Bian , Wenjie Wang , Zhaoyang Zhang

We consider Model-Agnostic Meta-Learning (MAML) methods for Reinforcement Learning (RL) problems, where the goal is to find a policy using data from several tasks represented by Markov Decision Processes (MDPs) that can be updated by one…

Machine Learning · Computer Science 2021-11-18 Alireza Fallah , Kristian Georgiev , Aryan Mokhtari , Asuman Ozdaglar

Statistical arbitrages (StatArbs) driven by machine learning has garnered considerable attention in both academia and industry. Nevertheless, deep-learning (DL) approaches to directly exploit StatArbs in options markets remain largely…

Pricing of Securities · Quantitative Finance 2025-08-22 Yoonsik Hong , Diego Klabjan

Self-supervised learning (SSL) has proven to be a powerful approach for extracting biologically meaningful representations from single-cell data. To advance our understanding of SSL methods applied to single-cell data, we present…

Quantitative Methods · Quantitative Biology 2025-06-13 Olga Ovcharenko , Florian Barkmann , Philip Toma , Imant Daunhawer , Julia Vogt , Sebastian Schelter , Valentina Boeva

Molecules are commonly represented as SMILES strings, which can be readily converted to fixed-size molecular fingerprints. These fingerprints serve as feature vectors to train ML/DL models for molecular property prediction tasks in the…

Machine Learning · Computer Science 2026-03-10 Rajan , Ishaan Gupta

Network representation learning (NRL) is an effective graph analytics technique and promotes users to deeply understand the hidden characteristics of graph data. It has been successfully applied in many real-world tasks related to network…

Social and Information Networks · Computer Science 2021-03-09 Ke Sun , Lei Wang , Bo Xu , Wenhong Zhao , Shyh Wei Teng , Feng Xia

Unsupervised graph representation learning (UGRL) based on graph neural networks (GNNs), has received increasing attention owing to its efficacy in handling graph-structured data. However, existing UGRL methods ideally assume that the node…

Machine Learning · Computer Science 2024-07-30 Shiyuan Li , Yixin Liu , Qingfeng Chen , Geoffrey I. Webb , Shirui Pan

Recently, self-supervised metric learning has raised attention for the potential to learn a generic distance function. It overcomes the limitations of conventional supervised one, e.g., scalability and label biases. Despite progress in this…

Computer Vision and Pattern Recognition · Computer Science 2023-12-05 Jiantao Wu , Shentong Mo , Sara Atito , Josef Kittler , Zhenhua Feng , Muhammad Awais
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