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Poster
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Thu 16:30
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Geometric Latent Diffusion Models for 3D Molecule Generation
Minkai Xu · Alexander Powers · Ron Dror · Stefano Ermon · Jure Leskovec
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Workshop
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Generating Global Factual and Counterfactual Explainer for Molecule under Domain Constraints
Danqing Wang · Antonis Antoniades · Ambuj Singh · Lei Li
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Poster
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Thu 13:30
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Contrast with Reconstruct: Contrastive 3D Representation Learning Guided by Generative Pretraining
Zekun Qi · Runpei Dong · Guofan Fan · Zheng Ge · Xiangyu Zhang · Kaisheng Ma · Li Yi
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Workshop
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Fri 18:45
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Titanium 3D Microstructure for Physics-based Generative Models: A Dataset and Primer
Devendra Jangid
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Workshop
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Autoregressive Diffusion Models with non-Uniform Generation Order
Filip Ekström Kelvinius · Fredrik Lindsten
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Poster
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Tue 14:00
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MolDiff: Addressing the Atom-Bond Inconsistency Problem in 3D Molecule Diffusion Generation
Xingang Peng · Jiaqi Guan · qiang liu · Jianzhu Ma
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Workshop
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DiffMol: 3D Structured Molecule Generation with Discrete Denoising Diffusion Probabilistic Models
Weitong Zhang · Xiaoyun Wang · Justin Smith · Joe Eaton · Brad Rees · Quanquan Gu
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Workshop
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Geometric Constraints in Probabilistic Manifolds: A Bridge from Molecular Dynamics to Structured Diffusion Processes
Justin Diamond · Markus Lill
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Poster
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Thu 16:30
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Coarse-to-Fine: a Hierarchical Diffusion Model for Molecule Generation in 3D
Bo Qiang · Yuxuan Song · Minkai Xu · Jingjing Gong · Bowen Gao · Hao Zhou · Wei-Ying Ma · Yanyan Lan
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Poster
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Thu 13:30
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Quantum 3D Graph Learning with Applications to Molecule Embedding
Ge Yan · Huaijin Wu · Junchi Yan
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Workshop
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Plug-and-Play Controllable Graph Generation with Diffusion Models
Kartik Sharma · Srijan Kumar · Rakshit Trivedi
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Workshop
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Hybrid Diffusions for Stable Molecular Structure Generation via Explicit Energy-based Model
Youngwoo Cho · Seunghoon Yi · Sookyung Kim · Hongkee Yoon · Joonseok Lee
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