中文
相关论文

相关论文: Molecular Contrastive Learning with Chemical Eleme…

200 篇论文

Molecular Representation Learning (MRL) has proven impactful in numerous biochemical applications such as drug discovery and enzyme design. While Graph Neural Networks (GNNs) are effective at learning molecular representations from a 2D…

Effective protein representation learning is crucial for predicting protein functions. Traditional methods often pretrain protein language models on large, unlabeled amino acid sequences, followed by finetuning on labeled data. While…

生物大分子 · 定量生物学 2024-09-05 Jiangbin Zheng , Stan Z. Li

Geometric deep learning (GDL) has demonstrated huge power and enormous potential in molecular data analysis. However, a great challenge still remains for highly efficient molecular representations. Currently, covalent-bond-based molecular…

计算物理 · 物理学 2023-06-28 Cong Shen , Jiawei Luo , Kelin Xia

Graph-level representations (and clustering/classification based on these representations) are required in a variety of applications. Examples include identifying malicious network traffic, prediction of protein properties, and many others.…

机器学习 · 计算机科学 2024-11-20 Xiang Li , Gagan Agrawal , Rajiv Ramnath , Ruoming Jin

Heterogeneous graphs can well describe the complex entity relationships in the real world. For example, online shopping networks contain multiple physical types of consumers and products, as well as multiple relationship types such as…

机器学习 · 计算机科学 2024-07-02 Jing Zhang , Xiaoqian Jiang , Yingjie Xie , Cangqi Zhou

Contrastive learning has achieved great success in self-supervised visual representation learning, but existing approaches mostly ignored spatial information which is often crucial for visual representation. This paper presents…

计算机视觉与模式识别 · 计算机科学 2020-11-20 Xinyue Huo , Lingxi Xie , Longhui Wei , Xiaopeng Zhang , Hao Li , Zijie Yang , Wengang Zhou , Houqiang Li , Qi Tian

Data augmentation is a crucial component in unsupervised contrastive learning (CL). It determines how positive samples are defined and, ultimately, the quality of the learned representation. In this work, we open the door to new…

计算机视觉与模式识别 · 计算机科学 2023-05-31 Benoit Dufumier , Carlo Alberto Barbano , Robin Louiset , Edouard Duchesnay , Pietro Gori

Graph Contrastive Learning (GCL), learning the node representations by augmenting graphs, has attracted considerable attentions. Despite the proliferation of various graph augmentation strategies, some fundamental questions still remain…

机器学习 · 计算机科学 2022-10-06 Nian Liu , Xiao Wang , Deyu Bo , Chuan Shi , Jian Pei

Recent years, graph contrastive learning (GCL), which aims to learn representations from unlabeled graphs, has made great progress. However, the existing GCL methods mostly adopt human-designed graph augmentations, which are sensitive to…

社会与信息网络 · 计算机科学 2023-06-30 Xiao Shen , Dewang Sun , Shirui Pan , Xi Zhou , Laurence T. Yang

Graph contrastive learning (GCL) has garnered significant attention recently since it learns complex structural information from graphs through self-supervised learning manner. However, prevalent GCL models may suffer from performance…

机器学习 · 计算机科学 2025-04-28 Xiaofan Wei , Binyan Zhang

Graphs model complex relationships between entities, with nodes and edges capturing intricate connections. Node representation learning involves transforming nodes into low-dimensional embeddings. These embeddings are typically used as…

机器学习 · 计算机科学 2024-11-04 Ying-Chun Lin , Jennifer Neville

The electronic map plays a crucial role in geographic information systems, serving various urban managerial scenarios and daily life services. Developing effective Map Entity Representation Learning (MERL) methods is crucial to extracting…

机器学习 · 计算机科学 2024-02-12 Jiawei Jiang , Yifan Yang , Jingyuan Wang , Junjie Wu

Link prediction tasks focus on predicting possible future connections. Most existing researches measure the likelihood of links by different similarity scores on node pairs and predict links between nodes. However, the similarity-based…

机器学习 · 计算机科学 2023-03-09 Zehua Zhang , Shilin Sun , Guixiang Ma , Caiming Zhong

Molecule representation learning (MRL) methods aim to embed molecules into a real vector space. However, existing SMILES-based (Simplified Molecular-Input Line-Entry System) or GNN-based (Graph Neural Networks) MRL methods either take…

机器学习 · 计算机科学 2021-09-23 Hongwei Wang , Weijiang Li , Xiaomeng Jin , Kyunghyun Cho , Heng Ji , Jiawei Han , Martin D. Burke

Molecular property prediction refers to the task of labeling molecules with some biochemical properties, playing a pivotal role in the drug discovery and design process. Recently, with the advancement of machine learning, deep…

分子网络 · 定量生物学 2024-01-10 Zeyu Wang , Tianyi Jiang , Jinhuan Wang , Qi Xuan

Recent studies show that graph neural networks (GNNs) are prevalent to model high-order relationships for collaborative filtering (CF). Towards this research line, graph contrastive learning (GCL) has exhibited powerful performance in…

信息检索 · 计算机科学 2024-02-27 Xubin Ren , Lianghao Xia , Jiashu Zhao , Dawei Yin , Chao Huang

In this work, we aim to consider the application of contrastive learning in the scenario of the recommendation system adequately, making it more suitable for recommendation task. We propose a learning paradigm called supervised contrastive…

信息检索 · 计算机科学 2022-04-20 Chun Yang

Contrastive Learning (CL) performances as a rising approach to address the challenge of sparse and noisy recommendation data. Although having achieved promising results, most existing CL methods only perform either hand-crafted data or…

信息检索 · 计算机科学 2023-11-22 Xiuyuan Qin , Huanhuan Yuan , Pengpeng Zhao , Junhua Fang , Fuzhen Zhuang , Guanfeng Liu , Victor Sheng

For graph self-supervised learning (GSSL), masked autoencoder (MAE) follows the generative paradigm and learns to reconstruct masked graph edges or node features. Contrastive Learning (CL) maximizes the similarity between augmented views of…

机器学习 · 计算机科学 2023-10-25 Yuxiang Wang , Xiao Yan , Chuang Hu , Fangcheng Fu , Wentao Zhang , Hao Wang , Shuo Shang , Jiawei Jiang

Multimodal representation learning is commonly built on a shared-private decomposition, treating latent information as either common to all modalities or specific to one. This binary view is often inadequate: many factors are shared by only…

机器学习 · 统计学 2026-04-08 Huichao Li , Junhan Yu , Doudou Zhou