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11 Results
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Workshop
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Assessing multi-objective optimization of molecules with genetic algorithms against relevant baselines Nathanael Kusanda · Gary Tom · Riley Hickman · AkshatKumar Nigam · Kjell Jorner · Alan Aspuru-Guzik |
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Workshop
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Equivariant 3D-Conditional Diffusion Models for Molecular Linker Design Ilia Igashov · Hannes Stärk · Clément Vignac · Victor Garcia Satorras · Pascal Frossard · Max Welling · Michael Bronstein · Bruno Correia |
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Poster
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Tue 14:00 |
Learning Recourse on Instance Environment to Enhance Prediction Accuracy Lokesh N · Guntakanti Sai Koushik · Abir De · Sunita Sarawagi |
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Workshop
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Actively Learning Costly Reward Functions for Reinforcement Learning André Eberhard · Houssam Metni · Georg Fahland · Alexander Stroh · Pascal Friederich |
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Poster
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Wed 14:00 |
Trajectory balance: Improved credit assignment in GFlowNets Nikolay Malkin · Moksh Jain · Emmanuel Bengio · Chen Sun · Yoshua Bengio |
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Workshop
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Structure-based Drug Design with Equivariant Diffusion Models Arne Schneuing · Yuanqi Du · Charles Harris · Arian Jamasb · Ilia Igashov · weitao Du · Tom Blundell · Pietro Lió · Carla Gomes · Max Welling · Michael Bronstein · Bruno Correia |
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Affinity Workshop
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De novo PROTAC design using graph-based deep generative models Divya Nori · Connor Coley · Rocío Mercado |
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Workshop
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PhAST: Physics-Aware, Scalable, and Task-specific GNNs for accelerated catalyst design ALEXANDRE DUVAL · Victor Schmidt · Alex Hernandez-Garcia · Santiago Miret · Yoshua Bengio · David Rolnick |
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Poster
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Thu 9:00 |
FourierNets enable the design of highly non-local optical encoders for computational imaging Diptodip Deb · Zhenfei Jiao · Ruth Sims · Alex Chen · Michael Broxton · Misha B Ahrens · Kaspar Podgorski · Srinivas C Turaga |
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Workshop
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De novo PROTAC design using graph-based deep generative models Divya Nori · Connor Coley · Rocío Mercado |
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Spotlight Spotlight
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Thu 9:30 |
Lightning Talks 5A-2 Qiang LI · Zhiwei Xu · Jiaqi Yang · Thai Hung Le · Haoxuan Qu · Yang Li · Artyom Sorokin · Peirong Zhang · Mira Finkelstein · Nitsan levy · Chung-Yiu Yau · dapeng li · Thommen Karimpanal George · De-Chuan Zhan · Nazar Buzun · Jiajia Jiang · Li Xu · Yichuan Mo · Yujun Cai · Yuliang Liu · Leonid Pugachev · Bin Zhang · Lucy Liu · Hoi-To Wai · Liangliang Shi · Majid Abdolshah · Yoav Kolumbus · Lin Geng Foo · Junchi Yan · Mikhail Burtsev · Lianwen Jin · Yuan Zhan · Dung Nguyen · David Parkes · Yunpeng Baiia · Jun Liu · Kien Do · Guoliang Fan · Jeffrey S Rosenschein · Sunil Gupta · Sarah Keren · Svetha Venkatesh |