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Beyond Sequence: Impact of Geometric Context for RNA Property Prediction
v1v2 (latest)

Beyond Sequence: Impact of Geometric Context for RNA Property Prediction

International Conference on Learning Representations (ICLR), 2024
15 October 2024
Junjie Xu
Artem Moskalev
Tommaso Mansi
Mangal Prakash
Rui Liao
    AI4CE
ArXiv (abs)PDFHTML

Papers citing "Beyond Sequence: Impact of Geometric Context for RNA Property Prediction"

37 / 37 papers shown
Title
HyperHELM: Hyperbolic Hierarchy Encoding for mRNA Language Modeling
HyperHELM: Hyperbolic Hierarchy Encoding for mRNA Language Modeling
Max van Spengler
Artem Moskalev
Tommaso Mansi
Mangal Prakash
Rui Liao
84
0
0
29 Sep 2025
Property-Isometric Variational Autoencoders for Sequence Modeling and Design
Property-Isometric Variational Autoencoders for Sequence Modeling and Design
Elham Sadeghi
Xianqi Deng
I-Hsin Lin
Stacy M. Copp
Petko Bogdanov
100
0
0
16 Sep 2025
Equi-mRNA: Protein Translation Equivariant Encoding for mRNA Language Models
Equi-mRNA: Protein Translation Equivariant Encoding for mRNA Language Models
Mehdi Yazdani-Jahromi
Ali Khodabandeh Yalabadi
O. Garibay
52
1
0
20 Aug 2025
Geometric Hyena Networks for Large-scale Equivariant Learning
Geometric Hyena Networks for Large-scale Equivariant Learning
Artem Moskalev
Mangal Prakash
Junjie Xu
Tianyu Cui
Rui Liao
Tommaso Mansi
134
4
0
28 May 2025
A Comprehensive Benchmark for RNA 3D Structure-Function Modeling
A Comprehensive Benchmark for RNA 3D Structure-Function Modeling
Luis Wyss
Vincent Mallet
Wissam Karroucha
Karsten Borgwardt
Carlos Oliver
293
2
0
27 Mar 2025
HELM: Hierarchical Encoding for mRNA Language Modeling
HELM: Hierarchical Encoding for mRNA Language ModelingInternational Conference on Learning Representations (ICLR), 2024
Mehdi Yazdani-Jahromi
Mangal Prakash
Tommaso Mansi
Artem Moskalev
Rui Liao
248
9
0
13 Mar 2025
Specialized Foundation Models Struggle to Beat Supervised Baselines
Specialized Foundation Models Struggle to Beat Supervised BaselinesInternational Conference on Learning Representations (ICLR), 2024
Zongzhe Xu
Ritvik Gupta
Wenduo Cheng
Alexander Shen
Junhong Shen
Ameet Talwalkar
M. Khodak
AI4CE
261
21
0
05 Nov 2024
Are High-Degree Representations Really Unnecessary in Equivariant Graph Neural Networks?
Are High-Degree Representations Really Unnecessary in Equivariant Graph Neural Networks?Neural Information Processing Systems (NeurIPS), 2024
Jiacheng Cen
Anyi Li
Ning Lin
Yuxiang Ren
Zihe Wang
Wenbing Huang
347
16
0
15 Oct 2024
SE(3)-Hyena Operator for Scalable Equivariant Learning
SE(3)-Hyena Operator for Scalable Equivariant Learning
Artem Moskalev
Mangal Prakash
Rui Liao
Tommaso Mansi
227
5
0
01 Jul 2024
RiNALMo: General-Purpose RNA Language Models Can Generalize Well on
  Structure Prediction Tasks
RiNALMo: General-Purpose RNA Language Models Can Generalize Well on Structure Prediction Tasks
Rafael Josip Penić
Tin Vlasic
Roland G. Huber
Yue Wan
M. Šikić
AI4CE
131
62
0
29 Feb 2024
Shape-aware Graph Spectral Learning
Shape-aware Graph Spectral Learning
Junjie Xu
Enyan Dai
Dongsheng Luo
Xiang Zhang
Suhang Wang
210
4
0
16 Oct 2023
FAENet: Frame Averaging Equivariant GNN for Materials Modeling
FAENet: Frame Averaging Equivariant GNN for Materials ModelingInternational Conference on Machine Learning (ICML), 2023
Alexandre Duval
Victor Schmidt
A. Garcia
Santiago Miret
Fragkiskos D. Malliaros
Yoshua Bengio
David Rolnick
222
84
0
28 Apr 2023
A Survey on Spectral Graph Neural Networks
A Survey on Spectral Graph Neural Networks
Deyu Bo
Xiao Wang
Yang Liu
Yuan Fang
Yawen Li
Chuan Shi
212
36
0
11 Feb 2023
On the Expressive Power of Geometric Graph Neural Networks
On the Expressive Power of Geometric Graph Neural NetworksInternational Conference on Machine Learning (ICML), 2023
Chaitanya K. Joshi
Cristian Bodnar
Simon Mathis
Taco Cohen
Pietro Liò
355
113
0
23 Jan 2023
MACE: Higher Order Equivariant Message Passing Neural Networks for Fast
  and Accurate Force Fields
MACE: Higher Order Equivariant Message Passing Neural Networks for Fast and Accurate Force FieldsNeural Information Processing Systems (NeurIPS), 2022
Ilyes Batatia
D. P. Kovács
G. Simm
Christoph Ortner
Gábor Csányi
241
701
0
15 Jun 2022
KPGT: Knowledge-Guided Pre-training of Graph Transformer for Molecular
  Property Prediction
KPGT: Knowledge-Guided Pre-training of Graph Transformer for Molecular Property PredictionKnowledge Discovery and Data Mining (KDD), 2022
Han Li
Dan Zhao
Jianyang Zeng
142
68
0
02 Jun 2022
Probabilistic Transformer: Modelling Ambiguities and Distributions for
  RNA Folding and Molecule Design
Probabilistic Transformer: Modelling Ambiguities and Distributions for RNA Folding and Molecule DesignNeural Information Processing Systems (NeurIPS), 2022
Jörg Franke
Frederic Runge
Katharina Eggensperger
182
16
0
27 May 2022
Recipe for a General, Powerful, Scalable Graph Transformer
Recipe for a General, Powerful, Scalable Graph TransformerNeural Information Processing Systems (NeurIPS), 2022
Ladislav Rampášek
Mikhail Galkin
Vijay Prakash Dwivedi
Anh Tuan Luu
Guy Wolf
Dominique Beaini
369
799
0
25 May 2022
How Powerful are Spectral Graph Neural Networks
How Powerful are Spectral Graph Neural NetworksInternational Conference on Machine Learning (ICML), 2022
Xiyuan Wang
Muhan Zhang
292
275
0
23 May 2022
Deep learning models for predicting RNA degradation via dual
  crowdsourcing
Deep learning models for predicting RNA degradation via dual crowdsourcing
H. Wayment-Steele
W. Kladwang
Andrew Watkins
Do Soon Kim
Bojan Tunguz
...
Emin Öztürk
K. Amer
Mohamed Fares
Eterna Participants
Rhiju Das
158
28
0
14 Oct 2021
E(n) Equivariant Graph Neural Networks
E(n) Equivariant Graph Neural NetworksInternational Conference on Machine Learning (ICML), 2021
Victor Garcia Satorras
Emiel Hoogeboom
Max Welling
410
1,262
0
19 Feb 2021
E(3)-Equivariant Graph Neural Networks for Data-Efficient and Accurate
  Interatomic Potentials
E(3)-Equivariant Graph Neural Networks for Data-Efficient and Accurate Interatomic PotentialsNature Communications (Nat Commun), 2021
Simon L. Batzner
Albert Musaelian
Lixin Sun
Mario Geiger
J. Mailoa
M. Kornbluth
N. Molinari
Tess E. Smidt
Boris Kozinsky
689
1,649
0
08 Jan 2021
Masked Label Prediction: Unified Message Passing Model for
  Semi-Supervised Classification
Masked Label Prediction: Unified Message Passing Model for Semi-Supervised ClassificationInternational Joint Conference on Artificial Intelligence (IJCAI), 2020
Yunsheng Shi
Zhengjie Huang
Shikun Feng
Hui Zhong
Wenjin Wang
Yu Sun
AI4CE
489
945
0
08 Sep 2020
Learning from Protein Structure with Geometric Vector Perceptrons
Learning from Protein Structure with Geometric Vector PerceptronsInternational Conference on Learning Representations (ICLR), 2020
Bowen Jing
Stephan Eismann
Patricia Suriana
Raphael J. L. Townshend
R. Dror
GNN3DV
346
569
0
03 Sep 2020
Directional Message Passing for Molecular Graphs
Directional Message Passing for Molecular GraphsInternational Conference on Learning Representations (ICLR), 2020
Johannes Klicpera
Janek Groß
Stephan Günnemann
494
988
0
06 Mar 2020
RNA Secondary Structure Prediction By Learning Unrolled Algorithms
RNA Secondary Structure Prediction By Learning Unrolled AlgorithmsInternational Conference on Learning Representations (ICLR), 2020
Xinshi Chen
Yu Li
Ramzan Umarov
Xin Gao
Le Song
SyDaAI4TS
104
129
0
13 Feb 2020
SMILES Transformer: Pre-trained Molecular Fingerprint for Low Data Drug
  Discovery
SMILES Transformer: Pre-trained Molecular Fingerprint for Low Data Drug Discovery
Shion Honda
Shoi Shi
H. Ueda
MedIm
158
214
0
12 Nov 2019
Optuna: A Next-generation Hyperparameter Optimization Framework
Optuna: A Next-generation Hyperparameter Optimization FrameworkKnowledge Discovery and Data Mining (KDD), 2019
Takuya Akiba
Shotaro Sano
Toshihiko Yanase
Takeru Ohta
Masanori Koyama
809
7,675
0
25 Jul 2019
Fast Graph Representation Learning with PyTorch Geometric
Fast Graph Representation Learning with PyTorch Geometric
Matthias Fey
J. E. Lenssen
3DHGNN3DPC
1.1K
4,934
0
06 Mar 2019
Spectral Multigraph Networks for Discovering and Fusing Relationships in
  Molecules
Spectral Multigraph Networks for Discovering and Fusing Relationships in Molecules
Boris Knyazev
Xiao Lin
Mohamed R. Amer
Graham W. Taylor
GNN
118
31
0
23 Nov 2018
How Powerful are Graph Neural Networks?
How Powerful are Graph Neural Networks?
Keyulu Xu
Weihua Hu
J. Leskovec
Stefanie Jegelka
GNN
762
8,863
0
01 Oct 2018
Tensor field networks: Rotation- and translation-equivariant neural
  networks for 3D point clouds
Tensor field networks: Rotation- and translation-equivariant neural networks for 3D point clouds
Nathaniel Thomas
Tess E. Smidt
S. Kearnes
Lusann Yang
Li Li
Kai Kohlhoff
Patrick F. Riley
3DPC
266
1,085
0
22 Feb 2018
Graph Attention Networks
Graph Attention NetworksInternational Conference on Learning Representations (ICLR), 2017
Petar Velickovic
Guillem Cucurull
Arantxa Casanova
Adriana Romero
Pietro Lio
Yoshua Bengio
GNN
1.9K
23,539
0
30 Oct 2017
SchNet: A continuous-filter convolutional neural network for modeling
  quantum interactions
SchNet: A continuous-filter convolutional neural network for modeling quantum interactions
Kristof T. Schütt
Pieter-Jan Kindermans
Huziel Enoc Sauceda Felix
Stefan Chmiela
A. Tkatchenko
K. Müller
579
1,243
0
26 Jun 2017
Attention Is All You Need
Attention Is All You NeedNeural Information Processing Systems (NeurIPS), 2017
Ashish Vaswani
Noam M. Shazeer
Niki Parmar
Jakob Uszkoreit
Llion Jones
Aidan Gomez
Lukasz Kaiser
Illia Polosukhin
3DV
2.4K
157,232
0
12 Jun 2017
Semi-Supervised Classification with Graph Convolutional Networks
Semi-Supervised Classification with Graph Convolutional Networks
Thomas Kipf
Max Welling
GNNSSL
1.6K
32,393
0
09 Sep 2016
Convolutional Neural Networks on Graphs with Fast Localized Spectral
  Filtering
Convolutional Neural Networks on Graphs with Fast Localized Spectral FilteringNeural Information Processing Systems (NeurIPS), 2016
M. Defferrard
Xavier Bresson
P. Vandergheynst
GNN
801
8,175
0
30 Jun 2016
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