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Poster
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Tue 14:00
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Graphein - a Python Library for Geometric Deep Learning and Network Analysis on Biomolecular Structures and Interaction Networks
Arian Jamasb · Ramon Viñas Torné · Eric Ma · Yuanqi Du · Charles Harris · Kexin Huang · Dominic Hall · Pietro Lió · Tom Blundell
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Workshop
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Thoughts on the Applicability of Machine Learning to Scientific Discovery and Possible Future Research Directions (Perspective)
Shiro Takagi
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Workshop
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Deep Surrogate Docking: Accelerating Automated Drug Discovery with Graph Neural Networks
Ryien Hosseini · Filippo Simini · Austin Clyde · Arvind Ramanathan
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Poster
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Wed 14:00
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ToDD: Topological Compound Fingerprinting in Computer-Aided Drug Discovery
Andaç Demir · Baris Coskunuzer · Yulia Gel · Ignacio Segovia-Dominguez · Yuzhou Chen · Bulent Kiziltan
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Poster
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Learning Causally Invariant Representations for Out-of-Distribution Generalization on Graphs
Yongqiang Chen · Yonggang Zhang · Yatao Bian · Han Yang · MA Kaili · Binghui Xie · Tongliang Liu · Bo Han · James Cheng
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Workshop
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Fri 8:45
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Causal Discovery for Real World Applications: A Case Study
Stefan Bauer
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Poster
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Wed 9:00
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Variable-rate hierarchical CPC leads to acoustic unit discovery in speech
Santiago Cuervo · Adrian Lancucki · Ricard Marxer · Paweł Rychlikowski · Jan Chorowski
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Poster
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Wed 9:00
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Conditional Independence Testing with Heteroskedastic Data and Applications to Causal Discovery
Wiebke Günther · Urmi Ninad · Jonas Wahl · Jakob Runge
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