Improving Self-supervised Molecular Representation Learning using
Persistent Homology

Improving Self-supervised Molecular Representation Learning using Persistent Homology

29 November 2023

Papers citing "Improving Self-supervised Molecular Representation Learning using Persistent Homology"

15 / 15 papers shown

Title
Topology-Aware CLIP Few-Shot Learning Dazhi Huang VLM 21 0 0 03 May 2025
Unlocking the Potential of Classic GNNs for Graph-level Tasks: Simple Architectures Meet Excellence Yuankai Luo Lei Shi Xiao-Ming Wu AI4CE 62 0 0 13 Feb 2025
MOL-Mamba: Enhancing Molecular Representation with Structural & Electronic Insights Jingjing Hu D. Guo Zhan Si Deguang Liu Yunfeng Diao J. Zhang Jinxing Zhou Meng Wang Mamba 94 1 0 21 Dec 2024
Scalar Function Topology Divergence: Comparing Topology of 3D Objects I. Trofimov Daria Voronkova Eduard Tulchinskii Evgeny Burnaev Serguei Barannikov 22 0 0 11 Jul 2024
Classic GNNs are Strong Baselines: Reassessing GNNs for Node Classification Yuankai Luo Lei Shi Xiao-Ming Wu 21 1 0 13 Jun 2024
Enhancing Graph Transformers with Hierarchical Distance Structural Encoding Yuan Luo Hongkang Li Lei Shi Xiao-Ming Wu 17 4 0 22 Aug 2023
Probing Graph Representations Mohammad Sadegh Akhondzadeh Vijay Lingam Aleksandar Bojchevski 26 10 0 07 Mar 2023
A Systematic Survey of Chemical Pre-trained Models Jun-Xiong Xia Yanqiao Zhu Yuanqi Du Stan Z.Li AI4CE 46 50 0 29 Oct 2022
Improving Molecular Contrastive Learning via Faulty Negative Mitigation and Decomposed Fragment Contrast Yuyang Wang Rishikesh Magar Chen Liang A. Farimani 35 78 0 18 Feb 2022
Pre-training Molecular Graph Representation with 3D Geometry Shengchao Liu Hanchen Wang Weiyang Liu Joan Lasenby Hongyu Guo Jian Tang 106 294 0 07 Oct 2021
On Feature Decorrelation in Self-Supervised Learning Tianyu Hua Wenxiao Wang Zihui Xue Sucheng Ren Yue Wang Hang Zhao SSL OOD 107 163 0 02 May 2021
With a Little Help from My Friends: Nearest-Neighbor Contrastive Learning of Visual Representations Debidatta Dwibedi Y. Aytar Jonathan Tompson P. Sermanet Andrew Zisserman SSL 183 382 0 29 Apr 2021
A Primer on Contrastive Pretraining in Language Processing: Methods, Lessons Learned and Perspectives Nils Rethmeier Isabelle Augenstein SSL VLM 47 82 0 25 Feb 2021
MoleculeNet: A Benchmark for Molecular Machine Learning Zhenqin Wu Bharath Ramsundar Evan N. Feinberg Joseph Gomes C. Geniesse Aneesh S. Pappu K. Leswing Vijay S. Pande OOD 154 1,748 0 02 Mar 2017
Statistical topological data analysis using persistence landscapes Peter Bubenik 94 842 0 27 Jul 2012