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432 Results
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Oral
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Thu 8:00 |
Going beyond persistent homology using persistent homology Johanna Immonen · Amauri Souza · Vikas Garg |
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Workshop
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Connectivity Optimized Nested Line Graph Networks for Crystal Structures Robin Ruff · Patrick Reiser · Jan Stühmer · Pascal Friederich |
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Workshop
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Fri 9:10 |
Message Passing Neural Network for Predicting Dipole Moment Dependent Core Electron Excitation Spectra Kiyou Shibata · Teruyasu Mizoguchi |
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Workshop
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Fri 14:40 |
EGraFFBench: Evaluation of Equivariant Graph Neural Network Force Fields for Atomistic Simulations Vaibhav Bihani · UTKARSH PRATIUSH · Sajid Mannan · Tao Du · Zhimin Chen · Santiago Miret · Matthieu Micoulaut · Morten Smedskjaer · Sayan Ranu · N M Anoop Krishnan |
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Workshop
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AnisoGNN: physics-informed graph neural networks that generalize to anisotropic properties of polycrystals Guangyu Hu · Marat Latypov |
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Workshop
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MHG-GNN: Combination of Molecular Hypergraph Grammar with Graph Neural Network Akihiro Kishimoto · Hiroshi Kajino · Hirose Masataka · Junta Fuchiwaki · Indra Priyadarsini S · Lisa Hamada · Hajime Shinohara · Daiju Nakano · Seiji Takeda |
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Workshop
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Accelerated Modelling of Interfaces for Electronic Devices using Graph Neural Networks Pratik Brahma · Krishnakumar Bhattaram · Sayeef Salahuddin |
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Workshop
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Fri 7:50 |
Investigating extrapolation and low-data challenges via contrastive learning of chemical compositions Federico Ottomano · Giovanni De Felice · Rahul Savani · Vladimir Gusev · Matthew Rosseinsky |
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Workshop
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BroGNet: Momentum-Conserving Graph Neural Stochastic Differential Equation for Learning Brownian Dynamics Suresh Bishnoi · Jayadeva Dr · Sayan Ranu · N M Anoop Krishnan |
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Workshop
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Predicting COVID-19 pandemic by spatio-temporal graph neural networks: A New Zealand's study Bach Nguyen · Truong Son Hy · Long Tran-Thanh · Nhung Nghiem |
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Affinity Workshop
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Explaining Drug Repositioning: A Case-Based Reasoning Graph Neural Network Approach Adriana Carolina Gonzalez Cavazos |
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Workshop
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Graph Neural Networks Go Forward-Forward Daniele Paliotta · Mathieu Alain · Bálint Máté · François Fleuret |