ResearchTrend.AI
  • Communities
  • Connect sessions
  • AI calendar
  • Organizations
  • Join Slack
  • Contact Sales
Papers
Communities
Social Events
Terms and Conditions
Pricing
Contact Sales
Parameter LabParameter LabTwitterGitHubLinkedInBlueskyYoutube

© 2026 ResearchTrend.AI, All rights reserved.

  1. Home
  2. Papers
  3. 1509.09292
  4. Cited By
Convolutional Networks on Graphs for Learning Molecular Fingerprints
v1v2 (latest)

Convolutional Networks on Graphs for Learning Molecular Fingerprints

30 September 2015
David Duvenaud
D. Maclaurin
J. Aguilera-Iparraguirre
Rafael Gómez-Bombarelli
Timothy D. Hirzel
Alán Aspuru-Guzik
Ryan P. Adams
    GNN
ArXiv (abs)PDFHTML

Papers citing "Convolutional Networks on Graphs for Learning Molecular Fingerprints"

50 / 1,372 papers shown
Injecting Hierarchical Biological Priors into Graph Neural Networks for
  Flow Cytometry Prediction
Injecting Hierarchical Biological Priors into Graph Neural Networks for Flow Cytometry Prediction
Fatemeh Nassajian Mojarrad
Lorenzo Bini
Thomas Matthes
Stéphane Marchand-Maillet
AI4CE
317
0
0
28 May 2024
Probabilistic Graph Rewiring via Virtual Nodes
Probabilistic Graph Rewiring via Virtual Nodes
Chendi Qian
Andrei Manolache
Christopher Morris
Mathias Niepert
AI4CE
333
12
0
27 May 2024
Predicting Transonic Flowfields in Non-Homogeneous Unstructured Grids
  Using Autoencoder Graph Convolutional Networks
Predicting Transonic Flowfields in Non-Homogeneous Unstructured Grids Using Autoencoder Graph Convolutional Networks
Gabriele Immordino
Andrea Vaiuso
A. Ronch
Marcello Righi
AI4CE
201
4
0
07 May 2024
Relating-Up: Advancing Graph Neural Networks through Inter-Graph
  Relationships
Relating-Up: Advancing Graph Neural Networks through Inter-Graph Relationships
Qi Zou
Na Yu
Daoliang Zhang
Wei Zhang
Rui Gao
AI4CE
198
1
0
07 May 2024
Generated Contents Enrichment
Generated Contents Enrichment
Mahdi Naseri
Jiayan Qiu
Zhou Wang
341
0
0
06 May 2024
Multitask Extension of Geometrically Aligned Transfer Encoder
Multitask Extension of Geometrically Aligned Transfer Encoder
Sung Moon Ko
Sumin Lee
Dae-Woong Jeong
Hyunseung Kim
Chanhui Lee
Soorin Yim
Sehui Han
187
3
0
03 May 2024
Cross-Block Fine-Grained Semantic Cascade for Skeleton-Based Sports
  Action Recognition
Cross-Block Fine-Grained Semantic Cascade for Skeleton-Based Sports Action Recognition
Zhendong Liu
Haifeng Xia
Tong Guo
Libo Sun
Ming Shao
Siyu Xia
173
2
0
30 Apr 2024
CNN2GNN: How to Bridge CNN with GNN
CNN2GNN: How to Bridge CNN with GNN
Ziheng Jiao
Hongyuan Zhang
Xuelong Li
203
19
0
23 Apr 2024
Test-Time Training on Graphs with Large Language Models (LLMs)
Test-Time Training on Graphs with Large Language Models (LLMs)
Jiaxin Zhang
Yiqi Wang
Xihong Yang
Siwei Wang
Yu Feng
Yu Shi
Ruicaho Ren
En Zhu
Xinwang Liu
208
4
0
21 Apr 2024
A Survey on Deep Learning for Theorem Proving
A Survey on Deep Learning for Theorem Proving
Zhaoyu Li
Jialiang Sun
Logan Murphy
Qidong Su
Zenan Li
Xian Zhang
Kaiyu Yang
Xujie Si
LRM
286
49
0
15 Apr 2024
Graph Reinforcement Learning for Combinatorial Optimization: A Survey
  and Unifying Perspective
Graph Reinforcement Learning for Combinatorial Optimization: A Survey and Unifying Perspective
Victor-Alexandru Darvariu
Stephen Hailes
Mirco Musolesi
AI4CE
378
15
0
09 Apr 2024
Learning Heuristics for Transit Network Design and Improvement with Deep Reinforcement Learning
Learning Heuristics for Transit Network Design and Improvement with Deep Reinforcement Learning
Andrew Holliday
A. El-geneidy
Gregory Dudek
547
1
0
08 Apr 2024
First-order PDES for Graph Neural Networks: Advection And Burgers
  Equation Models
First-order PDES for Graph Neural Networks: Advection And Burgers Equation Models
Yifan Qu
Oliver A. Krzysik
H. Sterck
Omer Ege Kara
AI4CE
182
0
0
03 Apr 2024
Harnessing the Power of Large Language Model for Uncertainty Aware Graph Processing
Zhenyu Qian
Yiming Qian
Yuting Song
Fei Gao
Hai Jin
Chen Yu
Xia Xie
272
1
0
31 Mar 2024
Clustering for Protein Representation Learning
Clustering for Protein Representation Learning
Ruijie Quan
Wenguan Wang
Fan Ma
Hehe Fan
Yi Yang
254
8
0
30 Mar 2024
Hypergraph-based Multi-View Action Recognition using Event Cameras
Hypergraph-based Multi-View Action Recognition using Event Cameras
Yue Gao
Jiaxuan Lu
Siqi Li
Yipeng Li
Shaoyi Du
317
25
0
28 Mar 2024
Learn from Heterophily: Heterophilous Information-enhanced Graph Neural
  Network
Learn from Heterophily: Heterophilous Information-enhanced Graph Neural Network
Yilun Zheng
Jiahao Xu
Lihui Chen
367
2
0
26 Mar 2024
CADGL: Context-Aware Deep Graph Learning for Predicting Drug-Drug
  Interactions
CADGL: Context-Aware Deep Graph Learning for Predicting Drug-Drug Interactions
Azmine Toushik Wasi
Taki Hasan Rafi
Raima Islam
Serbetar Karlo
Dong-Kyu Chae
276
1
0
25 Mar 2024
Sort & Slice: A Simple and Superior Alternative to Hash-Based Folding
  for Extended-Connectivity Fingerprints
Sort & Slice: A Simple and Superior Alternative to Hash-Based Folding for Extended-Connectivity FingerprintsJournal of Cheminformatics (J Cheminform), 2024
Markus Dablander
Thierry Hanser
R. Lambiotte
Garrett M. Morris
143
10
0
10 Mar 2024
GNN-VPA: A Variance-Preserving Aggregation Strategy for Graph Neural
  Networks
GNN-VPA: A Variance-Preserving Aggregation Strategy for Graph Neural Networks
Lisa Schneckenreiter
Richard Freinschlag
Florian Sestak
Johannes Brandstetter
Günter Klambauer
Andreas Mayr
225
6
0
07 Mar 2024
Almost Surely Asymptotically Constant Graph Neural Networks
Almost Surely Asymptotically Constant Graph Neural Networks
Sam Adam-Day
Michael Benedikt
.Ismail .Ilkan Ceylan
Ben Finkelshtein
GNN
288
7
0
06 Mar 2024
Why Attention Graphs Are All We Need: Pioneering Hierarchical
  Classification of Hematologic Cell Populations with LeukoGraph
Why Attention Graphs Are All We Need: Pioneering Hierarchical Classification of Hematologic Cell Populations with LeukoGraph
Fatemeh Nassajian Mojarrad
Lorenzo Bini
Thomas Matthes
Stéphane Marchand-Maillet
213
1
0
28 Feb 2024
A Neural-Evolutionary Algorithm for Autonomous Transit Network Design
A Neural-Evolutionary Algorithm for Autonomous Transit Network Design
Andrew Holliday
Gregory Dudek
345
1
0
27 Feb 2024
Geometric Deep Learning for Computer-Aided Design: A Survey
Geometric Deep Learning for Computer-Aided Design: A Survey
Negar Heidari
Alexandros Iosifidis
AI4CE3DPC3DV
339
13
0
27 Feb 2024
Pretraining Strategy for Neural Potentials
Pretraining Strategy for Neural Potentials
Zehua Zhang
Zijie Li
A. Farimani
AI4CE
270
0
0
24 Feb 2024
Overcoming Pitfalls in Graph Contrastive Learning Evaluation: Toward
  Comprehensive Benchmarks
Overcoming Pitfalls in Graph Contrastive Learning Evaluation: Toward Comprehensive Benchmarks
Qian Ma
Hongliang Chi
Hengrui Zhang
Kay Liu
Zhiwei Zhang
Lu Cheng
Suhang Wang
Philip S. Yu
Yao Ma
230
3
0
24 Feb 2024
CHILI: Chemically-Informed Large-scale Inorganic Nanomaterials Dataset
  for Advancing Graph Machine Learning
CHILI: Chemically-Informed Large-scale Inorganic Nanomaterials Dataset for Advancing Graph Machine Learning
Ulrik Friis-Jensen
Frederik L. Johansen
A. Anker
Erik B. Dam
Kirsten M. Ø. Jensen
Raghavendra Selvan
AI4CE
366
5
0
20 Feb 2024
A unifying primary framework for quantum graph neural networks from
  quantum graph states
A unifying primary framework for quantum graph neural networks from quantum graph states
Ammar Daskin
GNN
285
2
0
20 Feb 2024
Homomorphism Counts for Graph Neural Networks: All About That Basis
Homomorphism Counts for Graph Neural Networks: All About That Basis
Emily Jin
Michael M. Bronstein
.Ismail .Ilkan Ceylan
Matthias Lanzinger
405
20
0
13 Feb 2024
Message Detouring: A Simple Yet Effective Cycle Representation for
  Expressive Graph Learning
Message Detouring: A Simple Yet Effective Cycle Representation for Expressive Graph Learning
Ziquan Wei
Tingting Dan
Guorong Wu
232
0
0
12 Feb 2024
Global optimality under amenable symmetry constraints
Global optimality under amenable symmetry constraints
Peter Orbanz
211
0
0
12 Feb 2024
Weisfeiler-Leman at the margin: When more expressivity matters
Weisfeiler-Leman at the margin: When more expressivity mattersInternational Conference on Machine Learning (ICML), 2024
Billy J. Franks
Christopher Morris
A. Velingker
Floris Geerts
492
15
0
12 Feb 2024
Game-theoretic Counterfactual Explanation for Graph Neural Networks
Game-theoretic Counterfactual Explanation for Graph Neural Networks
Chirag Chhablani
Sarthak Jain
Akshay Channesh
Ian A. Kash
Sourav Medya
329
9
0
08 Feb 2024
Variational Quantum Circuits Enhanced Generative Adversarial Network
Variational Quantum Circuits Enhanced Generative Adversarial Network
Runqiu Shu
Xusheng Xu
Manhong Yung
Wei Cui
GAN
154
13
0
02 Feb 2024
DoseGNN: Improving the Performance of Deep Learning Models in Adaptive
  Dose-Volume Histogram Prediction through Graph Neural Networks
DoseGNN: Improving the Performance of Deep Learning Models in Adaptive Dose-Volume Histogram Prediction through Graph Neural Networks
Zehao Dong
Yixin Chen
Tianyu Zhao
OOD
142
2
0
02 Feb 2024
Unsupervised Discovery of Steerable Factors When Graph Deep Generative
  Models Are Entangled
Unsupervised Discovery of Steerable Factors When Graph Deep Generative Models Are Entangled
Shengchao Liu
Chengpeng Wang
Jiarui Lu
Weili Nie
Hanchen Wang
Zhuoxinran Li
Bolei Zhou
Jian Tang
245
3
0
29 Jan 2024
ADA-GNN: Atom-Distance-Angle Graph Neural Network for Crystal Material
  Property Prediction
ADA-GNN: Atom-Distance-Angle Graph Neural Network for Crystal Material Property Prediction
Jiao Huang
Qianli Xing
Jinglong Ji
Bo Yang
137
4
0
22 Jan 2024
Text-to-Image Cross-Modal Generation: A Systematic Review
Text-to-Image Cross-Modal Generation: A Systematic Review
Maciej Żelaszczyk
Jacek Mańdziuk
320
6
0
21 Jan 2024
On the Power of Graph Neural Networks and Feature Augmentation
  Strategies to Classify Social Networks
On the Power of Graph Neural Networks and Feature Augmentation Strategies to Classify Social NetworksAsian Conference on Intelligent Information and Database Systems (ACIIDS), 2024
Walid Guettala
László Gulyás
240
1
0
11 Jan 2024
Enhancing Acute Kidney Injury Prediction through Integration of Drug
  Features in Intensive Care Units
Enhancing Acute Kidney Injury Prediction through Integration of Drug Features in Intensive Care Units
Gabriel D. M. Manalu
Mulomba Mukendi Christian
Songhee You
Hyebong Choi
139
1
0
09 Jan 2024
Unifying Graph Contrastive Learning via Graph Message Augmentation
Unifying Graph Contrastive Learning via Graph Message AugmentationIEEE Transactions on Pattern Analysis and Machine Intelligence (TPAMI), 2024
Ziyan Zhang
Bo Jiang
Jin Tang
Bin Luo
269
1
0
08 Jan 2024
Can Large Language Models Understand Molecules?
Can Large Language Models Understand Molecules?
Seyedeh Shaghayegh Sadeghi
Alan Bui
Ali Forooghi
Jianguo Lu
A. Ngom
AI4CE
392
32
0
05 Jan 2024
Strong Transitivity Relations and Graph Neural Networks
Strong Transitivity Relations and Graph Neural Networks
Yassin Mohamadi
M. H. Chehreghani
GNN
209
4
0
01 Jan 2024
Molecular Property Prediction Based on Graph Structure Learning
Molecular Property Prediction Based on Graph Structure Learning
Bangyi Zhao
Weixia Xu
Jihong Guan
Shuigeng Zhou
168
23
0
28 Dec 2023
Diffusion-Driven Generative Framework for Molecular Conformation
  Prediction
Diffusion-Driven Generative Framework for Molecular Conformation Prediction
Bobin Yang
Jie Deng
Zhenghan Chen
Ruoxue Wu
DiffM
277
0
0
22 Dec 2023
Molecular Hypergraph Neural Networks
Molecular Hypergraph Neural Networks
Junwu Chen
Philippe Schwaller
GNN
348
19
0
20 Dec 2023
Pre-training of Molecular GNNs via Conditional Boltzmann Generator
Pre-training of Molecular GNNs via Conditional Boltzmann Generator
Daiki Koge
N. Ono
Shigehiko Kanaya
AI4CE
216
0
0
20 Dec 2023
Stability of Graph Convolutional Neural Networks through the lens of
  small perturbation analysis
Stability of Graph Convolutional Neural Networks through the lens of small perturbation analysis
Lucia Testa
Claudio Battiloro
S. Sardellitti
Sergio Barbarossa
AAML
163
8
0
20 Dec 2023
Bridging the Semantic-Numerical Gap: A Numerical Reasoning Method of
  Cross-modal Knowledge Graph for Material Property Prediction
Bridging the Semantic-Numerical Gap: A Numerical Reasoning Method of Cross-modal Knowledge Graph for Material Property PredictionApplied Soft Computing (Appl. Soft Comput.), 2023
Guangxuan Song
Dong-yang Fu
Zhongwei Qiu
Zijiang Yang
Jiaxin Dai
Lingwei Ma
Dawei Zhang
124
2
0
15 Dec 2023
Holistic chemical evaluation reveals pitfalls in reaction prediction
  models
Holistic chemical evaluation reveals pitfalls in reaction prediction models
Victor Sabanza Gil
Andres M Bran
Malte Franke
Remi Schlama
J. Luterbacher
Philippe Schwaller
ELM
246
1
0
14 Dec 2023
Previous
123456...262728
Next